{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003128","ANALYSIS_ID":"AN005128","VERSION":"1","CREATED_ON":"March 19, 2024, 1:49 pm"},

"PROJECT":{"PROJECT_TITLE":"High fat diet ameliorates mitochondrial cardiomyopathy in CHCHD10 mutant mice","PROJECT_SUMMARY":"Mutations in CHCHD10, a mitochondrial protein with undefined functions, are associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L) develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts, mtISR is accompanied by a metabolic rewiring characterized by increased reliance on glycolysis rather than fatty acid oxidation. To counteract this metabolic rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD) to decrease insulin sensitivity and glucose uptake and enhance fatty acid utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant hearts and significantly extended the survival of mutant female mice affected by severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that HFD increased fatty acid utilization and ameliorated cardiomyopathy markers. Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L heart, suggesting activation of quality control mechanisms. Overall, our findings indicate that metabolic therapy can be effective in mitochondrial cardiomyopathies associated with proteotoxic stress.","INSTITUTE":"Weill Cornell Medicine","LAST_NAME":"Southwell","FIRST_NAME":"Nneka","ADDRESS":"407 E 61st St","EMAIL":"nns4001@med.cornell.edu","PHONE":"646-962-8172"},

"STUDY":{"STUDY_TITLE":"Effect of high fat diet on serum lipidome and metabolome in CHCHD10 Mutant Mice","STUDY_SUMMARY":"Mutations in CHCHD10, a mitochondrial protein with undefined functions, are associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L) develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts, mtISR is accompanied by a metabolic rewiring characterized by increased reliance on glycolysis rather than fatty acid oxidation. To counteract this metabolic rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD) to decrease insulin sensitivity and glucose uptake and enhance fatty acid utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant hearts and significantly extended the survival of mutant female mice affected by severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that HFD increased fatty acid utilization and ameliorated cardiomyopathy markers. Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L heart, suggesting activation of quality control mechanisms. Overall, our findings indicate that metabolic therapy can be effective in mitochondrial cardiomyopathies associated with proteotoxic stress.","INSTITUTE":"Weill Cornell Medicine","LAST_NAME":"Southwell","FIRST_NAME":"Nneka","ADDRESS":"407 E 61st St","EMAIL":"nns4001@med.cornell.edu","PHONE":"646-962-8172"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"HetCD_1",
"Sample ID":"S_HetCD_1",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetCD_1.raw"}
},
{
"Subject ID":"HetCD_2",
"Sample ID":"S_HetCD_2",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetCD_2.raw"}
},
{
"Subject ID":"HetCD_3",
"Sample ID":"S_HetCD_3",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetCD_3.raw"}
},
{
"Subject ID":"HetCD_4",
"Sample ID":"S_HetCD_4",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetCD_4.raw"}
},
{
"Subject ID":"HetCD_5",
"Sample ID":"S_HetCD_5",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetCD_5.raw"}
},
{
"Subject ID":"HetCD_6",
"Sample ID":"S_HetCD_6",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetCD_6.raw"}
},
{
"Subject ID":"HetHFD_1",
"Sample ID":"S_HetHFD_1",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetHFD_1.raw"}
},
{
"Subject ID":"HetHFD_2",
"Sample ID":"S_HetHFD_2",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetHFD_2.raw"}
},
{
"Subject ID":"HetHFD_3",
"Sample ID":"S_HetHFD_3",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetHFD_3.raw"}
},
{
"Subject ID":"HetHFD_4",
"Sample ID":"S_HetHFD_4",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetHFD_4.raw"}
},
{
"Subject ID":"HetHFD_5",
"Sample ID":"S_HetHFD_5",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetHFD_5.raw"}
},
{
"Subject ID":"HetHFD_6",
"Sample ID":"S_HetHFD_6",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_HetHFD_6.raw"}
},
{
"Subject ID":"WTCD_1",
"Sample ID":"S_WTCD_1",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTCD_1.raw"}
},
{
"Subject ID":"WTCD_2",
"Sample ID":"S_WTCD_2",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTCD_2.raw"}
},
{
"Subject ID":"WTCD_3",
"Sample ID":"S_WTCD_3",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTCD_3.raw"}
},
{
"Subject ID":"WTCD_4",
"Sample ID":"S_WTCD_4",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTCD_4.raw"}
},
{
"Subject ID":"WTCD_5",
"Sample ID":"S_WTCD_5",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTCD_5.raw"}
},
{
"Subject ID":"WTCD_6",
"Sample ID":"S_WTCD_6",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTCD_6.raw"}
},
{
"Subject ID":"WTHFD_1",
"Sample ID":"S_WTHFD_1",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTHFD_1.raw"}
},
{
"Subject ID":"WTHFD_2",
"Sample ID":"S_WTHFD_2",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTHFD_2.raw"}
},
{
"Subject ID":"WTHFD_3",
"Sample ID":"S_WTHFD_3",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTHFD_3.raw"}
},
{
"Subject ID":"WTHFD_4",
"Sample ID":"S_WTHFD_4",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTHFD_4.raw"}
},
{
"Subject ID":"WTHFD_5",
"Sample ID":"S_WTHFD_5",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTHFD_5.raw"}
},
{
"Subject ID":"WTHFD_6",
"Sample ID":"S_WTHFD_6",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"S_WTHFD_6.raw"}
},
{
"Subject ID":"HetCD_1",
"Sample ID":"SL_HetCD_1",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetCD_1.raw"}
},
{
"Subject ID":"HetCD_2",
"Sample ID":"SL_HetCD_2",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetCD_2.raw"}
},
{
"Subject ID":"HetCD_3",
"Sample ID":"SL_HetCD_3",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetCD_3.raw"}
},
{
"Subject ID":"HetCD_4",
"Sample ID":"SL_HetCD_4",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetCD_4.raw"}
},
{
"Subject ID":"HetCD_5",
"Sample ID":"SL_HetCD_5",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetCD_5.raw"}
},
{
"Subject ID":"HetCD_6",
"Sample ID":"SL_HetCD_6",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetCD_6.raw"}
},
{
"Subject ID":"HetHFD_1",
"Sample ID":"SL_HetHFD_1",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetHFD_1.raw"}
},
{
"Subject ID":"HetHFD_2",
"Sample ID":"SL_HetHFD_2",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetHFD_2.raw"}
},
{
"Subject ID":"HetHFD_3",
"Sample ID":"SL_HetHFD_3",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetHFD_3.raw"}
},
{
"Subject ID":"HetHFD_4",
"Sample ID":"SL_HetHFD_4",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetHFD_4.raw"}
},
{
"Subject ID":"HetHFD_5",
"Sample ID":"SL_HetHFD_5",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetHFD_5.raw"}
},
{
"Subject ID":"HetHFD_6",
"Sample ID":"SL_HetHFD_6",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_HetHFD_6.raw"}
},
{
"Subject ID":"WTCD_1",
"Sample ID":"SL_WTCD_1",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTCD_1.raw"}
},
{
"Subject ID":"WTCD_2",
"Sample ID":"SL_WTCD_2",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTCD_2.raw"}
},
{
"Subject ID":"WTCD_3",
"Sample ID":"SL_WTCD_3",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTCD_3.raw"}
},
{
"Subject ID":"WTCD_4",
"Sample ID":"SL_WTCD_4",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTCD_4.raw"}
},
{
"Subject ID":"WTCD_5",
"Sample ID":"SL_WTCD_5",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTCD_5.raw"}
},
{
"Subject ID":"WTCD_6",
"Sample ID":"SL_WTCD_6",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTCD_6.raw"}
},
{
"Subject ID":"WTHFD_1",
"Sample ID":"SL_WTHFD_1",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTHFD_1.raw"}
},
{
"Subject ID":"WTHFD_2",
"Sample ID":"SL_WTHFD_2",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTHFD_2.raw"}
},
{
"Subject ID":"WTHFD_3",
"Sample ID":"SL_WTHFD_3",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTHFD_3.raw"}
},
{
"Subject ID":"WTHFD_4",
"Sample ID":"SL_WTHFD_4",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTHFD_4.raw"}
},
{
"Subject ID":"WTHFD_5",
"Sample ID":"SL_WTHFD_5",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTHFD_5.raw"}
},
{
"Subject ID":"WTHFD_6",
"Sample ID":"SL_WTHFD_6",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SL_WTHFD_6.raw"}
},
{
"Subject ID":"HetCD_1",
"Sample ID":"SP_HetCD_1",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetCD_1.raw"}
},
{
"Subject ID":"HetCD_2",
"Sample ID":"SP_HetCD_2",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetCD_2.raw"}
},
{
"Subject ID":"HetCD_3",
"Sample ID":"SP_HetCD_3",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetCD_3.raw"}
},
{
"Subject ID":"HetCD_4",
"Sample ID":"SP_HetCD_4",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetCD_4.raw"}
},
{
"Subject ID":"HetCD_5",
"Sample ID":"SP_HetCD_5",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetCD_5.raw"}
},
{
"Subject ID":"HetCD_6",
"Sample ID":"SP_HetCD_6",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetCD_6.raw"}
},
{
"Subject ID":"HetHFD_1",
"Sample ID":"SP_HetHFD_1",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetHFD_1.raw"}
},
{
"Subject ID":"HetHFD_2",
"Sample ID":"SP_HetHFD_2",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetHFD_2.raw"}
},
{
"Subject ID":"HetHFD_3",
"Sample ID":"SP_HetHFD_3",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetHFD_3.raw"}
},
{
"Subject ID":"HetHFD_4",
"Sample ID":"SP_HetHFD_4",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetHFD_4.raw"}
},
{
"Subject ID":"HetHFD_5",
"Sample ID":"SP_HetHFD_5",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetHFD_5.raw"}
},
{
"Subject ID":"HetHFD_6",
"Sample ID":"SP_HetHFD_6",
"Factors":{"Sample source":"Serum","Genotype":"CHCHD10 S55L Het","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_HetHFD_6.raw"}
},
{
"Subject ID":"WTCD_1",
"Sample ID":"SP_WTCD_1",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTCD_1.raw"}
},
{
"Subject ID":"WTCD_2",
"Sample ID":"SP_WTCD_2",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTCD_2.raw"}
},
{
"Subject ID":"WTCD_3",
"Sample ID":"SP_WTCD_3",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTCD_3.raw"}
},
{
"Subject ID":"WTCD_4",
"Sample ID":"SP_WTCD_4",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTCD_4.raw"}
},
{
"Subject ID":"WTCD_5",
"Sample ID":"SP_WTCD_5",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTCD_5.raw"}
},
{
"Subject ID":"WTCD_6",
"Sample ID":"SP_WTCD_6",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"Control Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTCD_6.raw"}
},
{
"Subject ID":"WTHFD_1",
"Sample ID":"SP_WTHFD_1",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTHFD_1.raw"}
},
{
"Subject ID":"WTHFD_2",
"Sample ID":"SP_WTHFD_2",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTHFD_2.raw"}
},
{
"Subject ID":"WTHFD_3",
"Sample ID":"SP_WTHFD_3",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTHFD_3.raw"}
},
{
"Subject ID":"WTHFD_4",
"Sample ID":"SP_WTHFD_4",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTHFD_4.raw"}
},
{
"Subject ID":"WTHFD_5",
"Sample ID":"SP_WTHFD_5",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTHFD_5.raw"}
},
{
"Subject ID":"WTHFD_6",
"Sample ID":"SP_WTHFD_6",
"Factors":{"Sample source":"Serum","Genotype":"WT","Treatment":"High Fat Diet","Age (d)":"250","Sex":"F"},
"Additional sample data":{"RAW_FILE_NAME(Raw File Name)":"SP_WTHFD_6.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Blood was collected by cheek bleeds into serum separator tubes. Serum was separated after 30 minutes of clotting at room temperature and centrifugation at 2000xg for 15 min.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"CHCHD10 WT and CHCHD10 S55L heterozygous mice were treated with either a control diet (70% Carbohydrate, 20% Protein, 10% Fat) or High Fat Diet (60% Fat, 20% Protein, 20% Carbohydrate)."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Untargeted and targeted metabolomics: Serum metabolites were extracted with 80% methanol. The extracts were clarified by centrifugation at 15,000 g for 10 min. The supernatant was collected and dried down using a SpeedVac. For lipidomics analyses: 180 µl of 90% isopropanol was added to 20 µl serum. Samples were vortexed for 2 min, sonicated for 1 min using a probe sonicator and centrifuged at 15,000 g for 10 min. The supernatant was collected and dried down using a SpeedVac. The dried samples were reconstituted using acetonitrile/isopropanol/water 65:30:5 containing stable isotope labeled internal lipid standards (Splash Lipidomix, Avanti Polar Lipids) prior to LC-MS analysis. Free Fatty Acids: Free fatty acids were extracted from serum using 90% methanol (LC/MS grade, Thermo Scientific). The extracts were clarified by centrifugation at 15,000 g for 10 min. The supernatant was collected and dried down using a SpeedVac. The dried sample was reconstituted using 50% methanol prior to LC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Serum targeted and untargeted metabolomics","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"SeQuant ZIC-pHILIC (150 x 2.1mm, 5um)","SOLVENT_A":"100% acetonitrile","SOLVENT_B":"100% water; 0.1% ammonium hydroxide; 20 mM ammonium acetate","FLOW_GRADIENT":"85% to 30% A in 20 min followed by a wash with 30% A and re-equilibration at 85% A","FLOW_RATE":"150 µl/min","COLUMN_TEMPERATURE":"35","METHODS_FILENAME":"Serum_MS_and_Data_Analysis.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Serum_MS_and_Data_Analysis.pdf"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The MS data was processed using XCalibur 4.1 (Thermo Scientific) to obtain the metabolite signal intensity for relative quantitation. Targeted identification was available for 205 metabolites based on an in-house library established using known chemical standards. Identification required exact mass (within 5ppm) and standard retention times. For untargeted metabolomics, metabolites were identified by mass matching of the MS signal to metabolites in the HMDB database. If multiple metabolites in the database were matched to a certain MS signal, all matched metabolites were grouped into a single identification, and ordered based on the number of references included in the HMDB database (high to low).","MS_RESULTS_FILE":"ST003128_AN005128_Results.txt UNITS:Peak Intensity Has m/z:Neutral masses Has RT:No RT units:No RT data"},

"MS_METABOLITE_DATA":{
"Units":"Peak Intensity",

"Data":[{"Metabolite":"1-Methyladenosine","SP_HetCD_1":"14054.69","SP_HetCD_2":"14303.74","SP_HetCD_3":"11999.6","SP_HetCD_4":"9365.884","SP_HetCD_5":"10026.95","SP_HetCD_6":"12480.97","SP_HetHFD_1":"9647.503","SP_HetHFD_2":"9615.931","SP_HetHFD_3":"8573.039","SP_HetHFD_4":"7411.765","SP_HetHFD_5":"9199.124","SP_HetHFD_6":"8498.812","SP_WTCD_1":"8124.192","SP_WTCD_2":"12105.12","SP_WTCD_3":"14149.2","SP_WTCD_4":"11443.36","SP_WTCD_5":"10314.64","SP_WTCD_6":"11700.51","SP_WTHFD_1":"7982.087","SP_WTHFD_2":"4758.021","SP_WTHFD_3":"5561.311","SP_WTHFD_4":"7566.873","SP_WTHFD_5":"5566.74","SP_WTHFD_6":"5539.753"},{"Metabolite":"1-Methylnicotinamide","SP_HetCD_1":"1184792","SP_HetCD_2":"1308451","SP_HetCD_3":"1234615","SP_HetCD_4":"916809.7","SP_HetCD_5":"1039231","SP_HetCD_6":"1384299","SP_HetHFD_1":"2174317","SP_HetHFD_2":"2083093","SP_HetHFD_3":"1466433","SP_HetHFD_4":"2150761","SP_HetHFD_5":"1959716","SP_HetHFD_6":"635660.1","SP_WTCD_1":"1102980","SP_WTCD_2":"1721697","SP_WTCD_3":"1016671","SP_WTCD_4":"196152.3","SP_WTCD_5":"1829319","SP_WTCD_6":"1647355","SP_WTHFD_1":"925674.8","SP_WTHFD_2":"740003.8","SP_WTHFD_3":"1283022","SP_WTHFD_4":"1835572","SP_WTHFD_5":"531697.9","SP_WTHFD_6":"2706280"},{"Metabolite":"2-Hydroxycaproic 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hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1,3-dioxolane;3-Methylbutyl 2-methylpropanoate","SP_HetCD_1":"17216568.5","SP_HetCD_2":"18087421.94","SP_HetCD_3":"12827102.42","SP_HetCD_4":"8024456.798","SP_HetCD_5":"11427890.76","SP_HetCD_6":"9779247.727","SP_HetHFD_1":"9687494.896","SP_HetHFD_2":"10862169.68","SP_HetHFD_3":"12385260.98","SP_HetHFD_4":"9700868.311","SP_HetHFD_5":"10338836.47","SP_HetHFD_6":"8212254.557","SP_WTCD_1":"14740828.76","SP_WTCD_2":"13597047.04","SP_WTCD_3":"17108978.91","SP_WTCD_4":"15544228.6","SP_WTCD_5":"10231307.49","SP_WTCD_6":"9102797.646","SP_WTHFD_1":"10378339.11","SP_WTHFD_2":"11383011.62","SP_WTHFD_3":"9116197.827","SP_WTHFD_4":"9126092.168","SP_WTHFD_5":"11834124.57","SP_WTHFD_6":"8355249.048"},{"Metabolite":"3-Methyl 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O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]","SP_HetCD_1":"14757618.85","SP_HetCD_2":"14605384.41","SP_HetCD_3":"7850337.848","SP_HetCD_4":"6986411.424","SP_HetCD_5":"7272363.123","SP_HetCD_6":"7096728.91","SP_HetHFD_1":"7418512.418","SP_HetHFD_2":"7269517.052","SP_HetHFD_3":"8417682.563","SP_HetHFD_4":"8332908.345","SP_HetHFD_5":"8147812.276","SP_HetHFD_6":"6462042.744","SP_WTCD_1":"6222369.872","SP_WTCD_2":"13469492.59","SP_WTCD_3":"15691205.02","SP_WTCD_4":"13939477.82","SP_WTCD_5":"8221882.792","SP_WTCD_6":"7131710.292","SP_WTHFD_1":"8006684.77","SP_WTHFD_2":"8479660.705","SP_WTHFD_3":"8145334.742","SP_WTHFD_4":"7691989.889","SP_WTHFD_5":"7058626.948","SP_WTHFD_6":"7256826.123"},{"Metabolite":"Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-methylellagic acid;Blighinone;Inosine 2',3'-cyclic 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ester;N-lactoyl-Isoeucine","SP_HetCD_1":"15266999.76","SP_HetCD_2":"14236651.18","SP_HetCD_3":"4382553.011","SP_HetCD_4":"4181188.823","SP_HetCD_5":"4330506.055","SP_HetCD_6":"4616481.048","SP_HetHFD_1":"4741711.653","SP_HetHFD_2":"4689017.873","SP_HetHFD_3":"5885660.322","SP_HetHFD_4":"5159477.182","SP_HetHFD_5":"6108175.296","SP_HetHFD_6":"3387904.763","SP_WTCD_1":"3777351.362","SP_WTCD_2":"11946924.69","SP_WTCD_3":"14071794.5","SP_WTCD_4":"12467775.25","SP_WTCD_5":"5291749.191","SP_WTCD_6":"3907124.846","SP_WTHFD_1":"5171713.355","SP_WTHFD_2":"5867628.617","SP_WTHFD_3":"4587657.733","SP_WTHFD_4":"4201071.389","SP_WTHFD_5":"3974414.486","SP_WTHFD_6":"4925951.333"},{"Metabolite":"Garcinia 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acid;3-(2,3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate","SP_HetCD_1":"4925403.038","SP_HetCD_2":"4252180.307","SP_HetCD_3":"7079832.675","SP_HetCD_4":"5680900.705","SP_HetCD_5":"6113543.288","SP_HetCD_6":"4580446.081","SP_HetHFD_1":"12370982.37","SP_HetHFD_2":"12917548.69","SP_HetHFD_3":"7793495.724","SP_HetHFD_4":"12418877.89","SP_HetHFD_5":"7375424.816","SP_HetHFD_6":"13576819.79","SP_WTCD_1":"6866912.527","SP_WTCD_2":"9992799.785","SP_WTCD_3":"8244144.827","SP_WTCD_4":"8784207.32","SP_WTCD_5":"11554873.52","SP_WTCD_6":"7273049.335","SP_WTHFD_1":"5645193.325","SP_WTHFD_2":"7323804.507","SP_WTHFD_3":"5270646.698","SP_WTHFD_4":"6980744.671","SP_WTHFD_5":"10525909.54","SP_WTHFD_6":"7045961.023"},{"Metabolite":"2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate","SP_HetCD_1":"6703407.104","SP_HetCD_2":"6622667.934","SP_HetCD_3":"9537337.425","SP_HetCD_4":"8780525.685","SP_HetCD_5":"5025223.041","SP_HetCD_6":"4677398.402","SP_HetHFD_1":"8411407.125","SP_HetHFD_2":"8440284.125","SP_HetHFD_3":"8452419.284","SP_HetHFD_4":"12338417.86","SP_HetHFD_5":"11231372.37","SP_HetHFD_6":"6780758.391","SP_WTCD_1":"5567696.36","SP_WTCD_2":"8934157.888","SP_WTCD_3":"7241847.426","SP_WTCD_4":"3256053.573","SP_WTCD_5":"6793940.38","SP_WTCD_6":"11657449.68","SP_WTHFD_1":"7371814.095","SP_WTHFD_2":"4949354.032","SP_WTHFD_3":"6601503.14","SP_WTHFD_4":"8522404.014","SP_WTHFD_5":"5031253.748","SP_WTHFD_6":"10164231.94"},{"Metabolite":"Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine","SP_HetCD_1":"9541462.372","SP_HetCD_2":"7923280.411","SP_HetCD_3":"6430444.373","SP_HetCD_4":"7750010.558","SP_HetCD_5":"10086203.67","SP_HetCD_6":"12327926.69","SP_HetHFD_1":"6411866.413","SP_HetHFD_2":"5259537.089","SP_HetHFD_3":"5188740.998","SP_HetHFD_4":"6011545.274","SP_HetHFD_5":"7054505.915","SP_HetHFD_6":"5328130.2","SP_WTCD_1":"9201738.332","SP_WTCD_2":"8663714.74","SP_WTCD_3":"8339684.173","SP_WTCD_4":"10439238.92","SP_WTCD_5":"7185788.867","SP_WTCD_6":"5508199.241","SP_WTHFD_1":"4132875.635","SP_WTHFD_2":"5878862.732","SP_WTHFD_3":"3647017.328","SP_WTHFD_4":"3969762.357","SP_WTHFD_5":"4840962.836","SP_WTHFD_6":"5507295.545"},{"Metabolite":"Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acid","SP_HetCD_1":"5034750.316","SP_HetCD_2":"4859537.697","SP_HetCD_3":"11011740.36","SP_HetCD_4":"9018166.539","SP_HetCD_5":"5419465.937","SP_HetCD_6":"5460296.823","SP_HetHFD_1":"7336292.608","SP_HetHFD_2":"6710971.628","SP_HetHFD_3":"7104282.511","SP_HetHFD_4":"10572566.92","SP_HetHFD_5":"6321761.988","SP_HetHFD_6":"6517139.294","SP_WTCD_1":"7202616.105","SP_WTCD_2":"9989150.678","SP_WTCD_3":"9299680.127","SP_WTCD_4":"5718302.291","SP_WTCD_5":"9920730.732","SP_WTCD_6":"11764332.4","SP_WTHFD_1":"6851389.707","SP_WTHFD_2":"5921543.918","SP_WTHFD_3":"6548177.028","SP_WTHFD_4":"7404014.515","SP_WTHFD_5":"6300257.759","SP_WTHFD_6":"7074071.377"},{"Metabolite":"S-(Formylmethyl)glutathione","SP_HetCD_1":"75205.21701","SP_HetCD_2":"22051.1123","SP_HetCD_3":"2251965.78","SP_HetCD_4":"11625066.92","SP_HetCD_5":"118595.9888","SP_HetCD_6":"9787.107568","SP_HetHFD_1":"93922.0627","SP_HetHFD_2":"11208.08177","SP_HetHFD_3":"24753.04843","SP_HetHFD_4":"180789.7384","SP_HetHFD_5":"12070.46534","SP_HetHFD_6":"83532.25624","SP_WTCD_1":"2255744.342","SP_WTCD_2":"3722847.563","SP_WTCD_3":"4740917.841","SP_WTCD_4":"9500.064773","SP_WTCD_5":"7304683.221","SP_WTCD_6":"10042414.32","SP_WTHFD_1":"149882.2411","SP_WTHFD_2":"8847.839807","SP_WTHFD_3":"26858.74203","SP_WTHFD_4":"26978.29824","SP_WTHFD_5":"196057.5589","SP_WTHFD_6":"775930.1448"},{"Metabolite":"gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine","SP_HetCD_1":"192119.8808","SP_HetCD_2":"301343.3897","SP_HetCD_3":"1913270.789","SP_HetCD_4":"5588162.834","SP_HetCD_5":"282006.3558","SP_HetCD_6":"35734.34928","SP_HetHFD_1":"500317.4283","SP_HetHFD_2":"70846.55398","SP_HetHFD_3":"170047.207","SP_HetHFD_4":"323280.7465","SP_HetHFD_5":"224907.984","SP_HetHFD_6":"410632.6194","SP_WTCD_1":"1767630.002","SP_WTCD_2":"6753343.714","SP_WTCD_3":"5330978.674","SP_WTCD_4":"40842.53606","SP_WTCD_5":"4917105.432","SP_WTCD_6":"11583036.46","SP_WTHFD_1":"471500.8766","SP_WTHFD_2":"49387.21597","SP_WTHFD_3":"82497.76781","SP_WTHFD_4":"151510.4995","SP_WTHFD_5":"436916.0182","SP_WTHFD_6":"888644.8111"},{"Metabolite":"3-Methylglutarylcarnitine;O-Adipoylcarnitine","SP_HetCD_1":"772330.8701","SP_HetCD_2":"192623.3577","SP_HetCD_3":"910352.324","SP_HetCD_4":"303990.6307","SP_HetCD_5":"279074.1993","SP_HetCD_6":"152140.2959","SP_HetHFD_1":"281356.3724","SP_HetHFD_2":"226691.5037","SP_HetHFD_3":"218373.5351","SP_HetHFD_4":"316120.642","SP_HetHFD_5":"241012.7217","SP_HetHFD_6":"497118.9742","SP_WTCD_1":"10877305.84","SP_WTCD_2":"944190.4603","SP_WTCD_3":"497606.0136","SP_WTCD_4":"86761.10764","SP_WTCD_5":"1121238.711","SP_WTCD_6":"2133851.978","SP_WTHFD_1":"234031.9132","SP_WTHFD_2":"76007.88047","SP_WTHFD_3":"431237.1017","SP_WTHFD_4":"200640.0534","SP_WTHFD_5":"145253.1025","SP_WTHFD_6":"286788.7096"},{"Metabolite":"Anserine;Homocarnosine;Balenine","SP_HetCD_1":"792575.2732","SP_HetCD_2":"842873.8408","SP_HetCD_3":"1502333.24","SP_HetCD_4":"2072098.454","SP_HetCD_5":"1127294.039","SP_HetCD_6":"811855.3169","SP_HetHFD_1":"1192970.875","SP_HetHFD_2":"848716.8875","SP_HetHFD_3":"1358826.996","SP_HetHFD_4":"4559081.941","SP_HetHFD_5":"10744434.56","SP_HetHFD_6":"1996577.152","SP_WTCD_1":"972050.8192","SP_WTCD_2":"947373.2153","SP_WTCD_3":"1541065.035","SP_WTCD_4":"1357114.785","SP_WTCD_5":"891652.2034","SP_WTCD_6":"1629188.191","SP_WTHFD_1":"605514.4267","SP_WTHFD_2":"1020903.398","SP_WTHFD_3":"631150.1691","SP_WTHFD_4":"781817.9417","SP_WTHFD_5":"1140462.514","SP_WTHFD_6":"1015993.674"},{"Metabolite":"Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate","SP_HetCD_1":"2323241.805","SP_HetCD_2":"2237538.722","SP_HetCD_3":"4112724.231","SP_HetCD_4":"4156544.964","SP_HetCD_5":"2374134.816","SP_HetCD_6":"2516738.261","SP_HetHFD_1":"3199803.54","SP_HetHFD_2":"3209509.005","SP_HetHFD_3":"3090493.794","SP_HetHFD_4":"5842965.45","SP_HetHFD_5":"2782244.577","SP_HetHFD_6":"3056718.287","SP_WTCD_1":"3040172.216","SP_WTCD_2":"4159530.101","SP_WTCD_3":"4435123.249","SP_WTCD_4":"2292674.613","SP_WTCD_5":"4587794.129","SP_WTCD_6":"10731698.88","SP_WTHFD_1":"3270635.758","SP_WTHFD_2":"2606101.828","SP_WTHFD_3":"2851514.513","SP_WTHFD_4":"3494592.529","SP_WTHFD_5":"2545481.43","SP_WTHFD_6":"2936684.329"},{"Metabolite":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid","SP_HetCD_1":"2126192.443","SP_HetCD_2":"1870380.941","SP_HetCD_3":"2256438.961","SP_HetCD_4":"1932351.601","SP_HetCD_5":"2102654.174","SP_HetCD_6":"2372165.534","SP_HetHFD_1":"2377077.61","SP_HetHFD_2":"2346742.986","SP_HetHFD_3":"2958953.471","SP_HetHFD_4":"10681985.5","SP_HetHFD_5":"4779713.895","SP_HetHFD_6":"3023931.398","SP_WTCD_1":"1508441.215","SP_WTCD_2":"1686784.505","SP_WTCD_3":"1384385.495","SP_WTCD_4":"1806483.3","SP_WTCD_5":"2050325.897","SP_WTCD_6":"1455243.239","SP_WTHFD_1":"2200914.276","SP_WTHFD_2":"1472077.682","SP_WTHFD_3":"1847769.004","SP_WTHFD_4":"2369239.655","SP_WTHFD_5":"1567546.214","SP_WTHFD_6":"2303914.034"},{"Metabolite":"2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2,3-diulose;D-1,5-Anhydrofructose;Diethyl dicarbonate","SP_HetCD_1":"3159880.523","SP_HetCD_2":"3337519.393","SP_HetCD_3":"7416468.589","SP_HetCD_4":"9931587.927","SP_HetCD_5":"4010071.184","SP_HetCD_6":"4191878.09","SP_HetHFD_1":"5998985.919","SP_HetHFD_2":"4794604.637","SP_HetHFD_3":"5506162.487","SP_HetHFD_4":"8422845.737","SP_HetHFD_5":"4813526.969","SP_HetHFD_6":"5626683.285","SP_WTCD_1":"4811693.037","SP_WTCD_2":"7000781.337","SP_WTCD_3":"7132839.694","SP_WTCD_4":"3590957.868","SP_WTCD_5":"9951836.294","SP_WTCD_6":"10119829.22","SP_WTHFD_1":"4743868.18","SP_WTHFD_2":"4274265.587","SP_WTHFD_3":"4713133.164","SP_WTHFD_4":"6345880.002","SP_WTHFD_5":"4600682.127","SP_WTHFD_6":"4734104.212"},{"Metabolite":"11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol;8alpha,13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol;Annoglabasin E;10-HETE;14R,15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid;11,12-EpETrE;7-HETE;12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid;15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid;18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19(S)-HETE;14,15-Epoxy-5,8,11-eicosatrienoic acid;5,6-Epoxy-8,11,14-eicosatrienoic acid;8,9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12,15-Epoxy-13,14-dimethyloctadeca-10,12,14-trienoic acid;12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acid","SP_HetCD_1":"69905.39685","SP_HetCD_2":"136125.4911","SP_HetCD_3":"663376.7699","SP_HetCD_4":"266071.2197","SP_HetCD_5":"664097.7318","SP_HetCD_6":"462974.7428","SP_HetHFD_1":"1197056.271","SP_HetHFD_2":"3677855.125","SP_HetHFD_3":"10000389.86","SP_HetHFD_4":"1232968.766","SP_HetHFD_5":"1240311.664","SP_HetHFD_6":"2586171.489","SP_WTCD_1":"164352.4483","SP_WTCD_2":"327668.2683","SP_WTCD_3":"735521.7302","SP_WTCD_4":"1242727.045","SP_WTCD_5":"452727.0135","SP_WTCD_6":"581137.4719","SP_WTHFD_1":"980718.3896","SP_WTHFD_2":"1502562.613","SP_WTHFD_3":"453083.0245","SP_WTHFD_4":"2606940.285","SP_WTHFD_5":"812674.4799","SP_WTHFD_6":"1277347.705"},{"Metabolite":"8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycine","SP_HetCD_1":"5515621.574","SP_HetCD_2":"2657289.827","SP_HetCD_3":"4769887.7","SP_HetCD_4":"9931934.15","SP_HetCD_5":"896426.9404","SP_HetCD_6":"330128.4591","SP_HetHFD_1":"3027645.456","SP_HetHFD_2":"706147.8303","SP_HetHFD_3":"552984.4812","SP_HetHFD_4":"408819.5324","SP_HetHFD_5":"281357.6074","SP_HetHFD_6":"811536.8448","SP_WTCD_1":"5923194.951","SP_WTCD_2":"4069404.864","SP_WTCD_3":"3403428.432","SP_WTCD_4":"356799.3017","SP_WTCD_5":"5779074.787","SP_WTCD_6":"5254647.4","SP_WTHFD_1":"499814.5324","SP_WTHFD_2":"127475.6963","SP_WTHFD_3":"316347.5247","SP_WTHFD_4":"413902.1185","SP_WTHFD_5":"432112.6326","SP_WTHFD_6":"1068764"},{"Metabolite":"Caproylcholine","SP_HetCD_1":"806489.5588","SP_HetCD_2":"517322.9761","SP_HetCD_3":"3999994.584","SP_HetCD_4":"1775594.151","SP_HetCD_5":"143586.7015","SP_HetCD_6":"659555.5633","SP_HetHFD_1":"195426.9154","SP_HetHFD_2":"163402.4583","SP_HetHFD_3":"351173.1119","SP_HetHFD_4":"265520.3524","SP_HetHFD_5":"276233.2627","SP_HetHFD_6":"213243.4682","SP_WTCD_1":"1011263.221","SP_WTCD_2":"150077.2642","SP_WTCD_3":"9909260.067","SP_WTCD_4":"154807.213","SP_WTCD_5":"1097691.485","SP_WTCD_6":"1287087.479","SP_WTHFD_1":"223823.4313","SP_WTHFD_2":"155861.1051","SP_WTHFD_3":"169164.2039","SP_WTHFD_4":"153142.5175","SP_WTHFD_5":"264348.092","SP_WTHFD_6":"1445717.565"},{"Metabolite":"(S)-Homostachydrine;Tranexamic Acid","SP_HetCD_1":"9527654.103","SP_HetCD_2":"5096632.586","SP_HetCD_3":"39026.21676","SP_HetCD_4":"41336.43406","SP_HetCD_5":"23859.41071","SP_HetCD_6":"16371.7051","SP_HetHFD_1":"95124.32368","SP_HetHFD_2":"7379.405279","SP_HetHFD_3":"7736.351535","SP_HetHFD_4":"28585.39826","SP_HetHFD_5":"92563.67759","SP_HetHFD_6":"199757.3912","SP_WTCD_1":"3807693.107","SP_WTCD_2":"845396.3909","SP_WTCD_3":"68894.1893","SP_WTCD_4":"148851.9103","SP_WTCD_5":"399790.8179","SP_WTCD_6":"33600.98013","SP_WTHFD_1":"26384.77901","SP_WTHFD_2":"18701.82048","SP_WTHFD_3":"14650.02287","SP_WTHFD_4":"30935.48206","SP_WTHFD_5":"16405.35796","SP_WTHFD_6":"91402.39518"},{"Metabolite":"Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone;D-threo-Isocitric acid","SP_HetCD_1":"4548387.759","SP_HetCD_2":"4214518.747","SP_HetCD_3":"5018849.068","SP_HetCD_4":"3984688.412","SP_HetCD_5":"5448745.764","SP_HetCD_6":"2735857.456","SP_HetHFD_1":"7355007.234","SP_HetHFD_2":"5879925.572","SP_HetHFD_3":"5362172.63","SP_HetHFD_4":"7729806.566","SP_HetHFD_5":"6687583.049","SP_HetHFD_6":"5086059.809","SP_WTCD_1":"6909109.182","SP_WTCD_2":"7126216.518","SP_WTCD_3":"8560687.747","SP_WTCD_4":"4537774.329","SP_WTCD_5":"7567160.403","SP_WTCD_6":"9473966.41","SP_WTHFD_1":"7141398.254","SP_WTHFD_2":"2960614.09","SP_WTHFD_3":"5956754.516","SP_WTHFD_4":"7336991.079","SP_WTHFD_5":"6404604.961","SP_WTHFD_6":"8246060.896"},{"Metabolite":"Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfide","SP_HetCD_1":"138126.5107","SP_HetCD_2":"94021.2706","SP_HetCD_3":"6771234.561","SP_HetCD_4":"9399931.91","SP_HetCD_5":"5780685.435","SP_HetCD_6":"6186404.087","SP_HetHFD_1":"5382836.6","SP_HetHFD_2":"6101512.959","SP_HetHFD_3":"6547185.8","SP_HetHFD_4":"6044547.439","SP_HetHFD_5":"8670262.316","SP_HetHFD_6":"5178886.621","SP_WTCD_1":"7241890.343","SP_WTCD_2":"71229.79324","SP_WTCD_3":"98069.99648","SP_WTCD_4":"103973.1314","SP_WTCD_5":"6351312.941","SP_WTCD_6":"5496903.661","SP_WTHFD_1":"5210085.095","SP_WTHFD_2":"6973264.792","SP_WTHFD_3":"5864072.709","SP_WTHFD_4":"3943054.916","SP_WTHFD_5":"4141862.535","SP_WTHFD_6":"4948152.37"},{"Metabolite":"2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic 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acid","SP_HetCD_1":"6017490.732","SP_HetCD_2":"5672836.739","SP_HetCD_3":"2573609.383","SP_HetCD_4":"3503822.645","SP_HetCD_5":"2779849.804","SP_HetCD_6":"2500984.371","SP_HetHFD_1":"2592503.825","SP_HetHFD_2":"3938642.733","SP_HetHFD_3":"3221131.301","SP_HetHFD_4":"3368506.819","SP_HetHFD_5":"4474642.237","SP_HetHFD_6":"2530334.617","SP_WTCD_1":"2625096.948","SP_WTCD_2":"4103040.048","SP_WTCD_3":"5648000.233","SP_WTCD_4":"4889394.193","SP_WTCD_5":"2314477.883","SP_WTCD_6":"2238685.279","SP_WTHFD_1":"4118173.442","SP_WTHFD_2":"4423325.544","SP_WTHFD_3":"2625700.817","SP_WTHFD_4":"2431554.686","SP_WTHFD_5":"1915949.909","SP_WTHFD_6":"3782101.528"},{"Metabolite":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione","SP_HetCD_1":"3385918.384","SP_HetCD_2":"1127516.573","SP_HetCD_3":"3741043.716","SP_HetCD_4":"2072005.82","SP_HetCD_5":"1043194.857","SP_HetCD_6":"803222.6631","SP_HetHFD_1":"1444947.662","SP_HetHFD_2":"1044377.469","SP_HetHFD_3":"1128160.502","SP_HetHFD_4":"2308266.763","SP_HetHFD_5":"2233271.303","SP_HetHFD_6":"1570704.078","SP_WTCD_1":"4982636.654","SP_WTCD_2":"1365308.628","SP_WTCD_3":"2384927.598","SP_WTCD_4":"953919.6619","SP_WTCD_5":"5868247.034","SP_WTCD_6":"3210338.73","SP_WTHFD_1":"824429.7874","SP_WTHFD_2":"853728.0352","SP_WTHFD_3":"704084.539","SP_WTHFD_4":"897309.2139","SP_WTHFD_5":"975821.0382","SP_WTHFD_6":"1189118.15"},{"Metabolite":"alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2,3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-Methylbutyrate","SP_HetCD_1":"3458855.918","SP_HetCD_2":"3817963.938","SP_HetCD_3":"3897851.833","SP_HetCD_4":"2719191.943","SP_HetCD_5":"3105570.985","SP_HetCD_6":"3000876.912","SP_HetHFD_1":"5862980.063","SP_HetHFD_2":"5662320.2","SP_HetHFD_3":"4104478.505","SP_HetHFD_4":"3759086.308","SP_HetHFD_5":"3994494.042","SP_HetHFD_6":"4719310.959","SP_WTCD_1":"2406183.275","SP_WTCD_2":"2053999.361","SP_WTCD_3":"2518863.571","SP_WTCD_4":"3439616.344","SP_WTCD_5":"2014489.984","SP_WTCD_6":"3020038.748","SP_WTHFD_1":"3552236.625","SP_WTHFD_2":"3804444.815","SP_WTHFD_3":"3470337.575","SP_WTHFD_4":"4040689.442","SP_WTHFD_5":"3546010.967","SP_WTHFD_6":"2430233.158"},{"Metabolite":"1-Isothiocyanato-7-(methylsulfinyl)heptane","SP_HetCD_1":"3304574.714","SP_HetCD_2":"1126760.151","SP_HetCD_3":"2817579.38","SP_HetCD_4":"5778280.481","SP_HetCD_5":"523006.8733","SP_HetCD_6":"90947.14586","SP_HetHFD_1":"1768416.727","SP_HetHFD_2":"375124.6574","SP_HetHFD_3":"304570.604","SP_HetHFD_4":"262216.1504","SP_HetHFD_5":"169293.373","SP_HetHFD_6":"426069.8851","SP_WTCD_1":"3485874.869","SP_WTCD_2":"2276692.798","SP_WTCD_3":"1807639.138","SP_WTCD_4":"226650.8652","SP_WTCD_5":"3571238.672","SP_WTCD_6":"3488806.853","SP_WTHFD_1":"273051.6787","SP_WTHFD_2":"74862.98582","SP_WTHFD_3":"208483.0229","SP_WTHFD_4":"229012.9474","SP_WTHFD_5":"278284.107","SP_WTHFD_6":"687723.171"},{"Metabolite":"Tromethamine","SP_HetCD_1":"1490801.924","SP_HetCD_2":"1494771.001","SP_HetCD_3":"2107220.62","SP_HetCD_4":"1919101.494","SP_HetCD_5":"1060468.801","SP_HetCD_6":"1409056.871","SP_HetHFD_1":"2679944.821","SP_HetHFD_2":"1410688.758","SP_HetHFD_3":"1959926.512","SP_HetHFD_4":"1288751.396","SP_HetHFD_5":"1002894.226","SP_HetHFD_6":"1943322.998","SP_WTCD_1":"2060796.586","SP_WTCD_2":"2079293.614","SP_WTCD_3":"1860652.226","SP_WTCD_4":"2070760.171","SP_WTCD_5":"1755003.733","SP_WTCD_6":"5670340.744","SP_WTHFD_1":"1936395.628","SP_WTHFD_2":"1649141.655","SP_WTHFD_3":"1522817.471","SP_WTHFD_4":"1806115.369","SP_WTHFD_5":"1670112.804","SP_WTHFD_6":"1630234.204"},{"Metabolite":"Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone","SP_HetCD_1":"4512235.593","SP_HetCD_2":"3704478.271","SP_HetCD_3":"4357906.697","SP_HetCD_4":"3953220.582","SP_HetCD_5":"4798527.245","SP_HetCD_6":"5657074.843","SP_HetHFD_1":"4350274.322","SP_HetHFD_2":"4204630.634","SP_HetHFD_3":"3648777.31","SP_HetHFD_4":"3831792.462","SP_HetHFD_5":"4497361.872","SP_HetHFD_6":"3771184.775","SP_WTCD_1":"4606478.729","SP_WTCD_2":"4048960.634","SP_WTCD_3":"3933370.749","SP_WTCD_4":"4663030.631","SP_WTCD_5":"3288134.409","SP_WTCD_6":"3485081.035","SP_WTHFD_1":"3508311.853","SP_WTHFD_2":"3784515.557","SP_WTHFD_3":"2472059.157","SP_WTHFD_4":"2733370.742","SP_WTHFD_5":"3160998.323","SP_WTHFD_6":"3591231.257"},{"Metabolite":"LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phosphocholine","SP_HetCD_1":"5241.350819","SP_HetCD_2":"2678.582932","SP_HetCD_3":"8086.288749","SP_HetCD_4":"4597.712919","SP_HetCD_5":"4627.44911","SP_HetCD_6":"8913.759779","SP_HetHFD_1":"576123.5915","SP_HetHFD_2":"1713043.25","SP_HetHFD_3":"5622725.166","SP_HetHFD_4":"405195.9179","SP_HetHFD_5":"583563.2484","SP_HetHFD_6":"15182.03587","SP_WTCD_1":"3846.194659","SP_WTCD_2":"4951.387614","SP_WTCD_3":"15286.99574","SP_WTCD_4":"4364.368444","SP_WTCD_5":"29663.55966","SP_WTCD_6":"4074.537347","SP_WTHFD_1":"57583.31816","SP_WTHFD_2":"43977.26834","SP_WTHFD_3":"2578.444964","SP_WTHFD_4":"352073.7479","SP_WTHFD_5":"210670.1994","SP_WTHFD_6":"173746.8846"},{"Metabolite":"Chloroform","SP_HetCD_1":"133605.3192","SP_HetCD_2":"99209.83126","SP_HetCD_3":"105875.048","SP_HetCD_4":"144949.358","SP_HetCD_5":"238217.6281","SP_HetCD_6":"5548222.169","SP_HetHFD_1":"74248.58595","SP_HetHFD_2":"73601.16532","SP_HetHFD_3":"32471.60876","SP_HetHFD_4":"49453.42205","SP_HetHFD_5":"140222.1218","SP_HetHFD_6":"67418.0163","SP_WTCD_1":"67177.69143","SP_WTCD_2":"312755.6557","SP_WTCD_3":"54998.49237","SP_WTCD_4":"72768.46724","SP_WTCD_5":"62787.20217","SP_WTCD_6":"244104.7166","SP_WTHFD_1":"68750.63422","SP_WTHFD_2":"47959.12506","SP_WTHFD_3":"47882.32235","SP_WTHFD_4":"254112.689","SP_WTHFD_5":"43526.45953","SP_WTHFD_6":"79773.97788"},{"Metabolite":"4-Guanidinobutanoic acid","SP_HetCD_1":"1638581.363","SP_HetCD_2":"1184023.367","SP_HetCD_3":"2165723.605","SP_HetCD_4":"3234280.067","SP_HetCD_5":"2038194.349","SP_HetCD_6":"1677647.843","SP_HetHFD_1":"2707377.342","SP_HetHFD_2":"2394704.797","SP_HetHFD_3":"669993.3646","SP_HetHFD_4":"1931389.137","SP_HetHFD_5":"5530046.095","SP_HetHFD_6":"2411443.882","SP_WTCD_1":"4812524.422","SP_WTCD_2":"4732683.698","SP_WTCD_3":"1465324.303","SP_WTCD_4":"335035.7809","SP_WTCD_5":"4977146.203","SP_WTCD_6":"2866567.712","SP_WTHFD_1":"969894.5048","SP_WTHFD_2":"425935.1253","SP_WTHFD_3":"540657.5222","SP_WTHFD_4":"453555.4775","SP_WTHFD_5":"403489.7387","SP_WTHFD_6":"1008051.087"},{"Metabolite":"N,O-Didesmethyltramadol;N,N-Didesmethyltramadol","SP_HetCD_1":"4584062.568","SP_HetCD_2":"3996396.542","SP_HetCD_3":"5030409.361","SP_HetCD_4":"4738416.794","SP_HetCD_5":"4946482.325","SP_HetCD_6":"5511759.911","SP_HetHFD_1":"3868285.097","SP_HetHFD_2":"4204612.292","SP_HetHFD_3":"3743362.59","SP_HetHFD_4":"3998256.009","SP_HetHFD_5":"4915994.916","SP_HetHFD_6":"3625490.408","SP_WTCD_1":"4556834.103","SP_WTCD_2":"4494313.656","SP_WTCD_3":"4179311.374","SP_WTCD_4":"5266765.512","SP_WTCD_5":"3825511.328","SP_WTCD_6":"3803975.941","SP_WTHFD_1":"2968337.365","SP_WTHFD_2":"4314615.848","SP_WTHFD_3":"2403956.569","SP_WTHFD_4":"3264411.736","SP_WTHFD_5":"3576429.021","SP_WTHFD_6":"4171461.165"},{"Metabolite":"N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide","SP_HetCD_1":"1638463.56","SP_HetCD_2":"2371076.284","SP_HetCD_3":"2356061.012","SP_HetCD_4":"1659251.575","SP_HetCD_5":"1710840.633","SP_HetCD_6":"1355735.1","SP_HetHFD_1":"4509061.237","SP_HetHFD_2":"4732408.808","SP_HetHFD_3":"3767070.618","SP_HetHFD_4":"3999560.935","SP_HetHFD_5":"4561900.903","SP_HetHFD_6":"1547060.908","SP_WTCD_1":"611915.7944","SP_WTCD_2":"2515344.722","SP_WTCD_3":"1065125.509","SP_WTCD_4":"688064.7751","SP_WTCD_5":"3456777.169","SP_WTCD_6":"2039799.878","SP_WTHFD_1":"4232919.359","SP_WTHFD_2":"2968610.44","SP_WTHFD_3":"3373009.507","SP_WTHFD_4":"5288305.754","SP_WTHFD_5":"3129522.406","SP_WTHFD_6":"5378127.252"},{"Metabolite":"Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acid","SP_HetCD_1":"1921567.229","SP_HetCD_2":"2034997.425","SP_HetCD_3":"4962782.405","SP_HetCD_4":"4600604.768","SP_HetCD_5":"2298146.145","SP_HetCD_6":"2268509.279","SP_HetHFD_1":"3424168.133","SP_HetHFD_2":"3166098.141","SP_HetHFD_3":"3388260.173","SP_HetHFD_4":"4847247.481","SP_HetHFD_5":"2982035.112","SP_HetHFD_6":"3833805.334","SP_WTCD_1":"3097727.822","SP_WTCD_2":"4218100.059","SP_WTCD_3":"3696616.513","SP_WTCD_4":"2048887.945","SP_WTCD_5":"4611142.124","SP_WTCD_6":"5333293.357","SP_WTHFD_1":"3148921.726","SP_WTHFD_2":"2646872.529","SP_WTHFD_3":"2937705.481","SP_WTHFD_4":"3452407.352","SP_WTHFD_5":"2813506.941","SP_WTHFD_6":"2944997.479"},{"Metabolite":"3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2,2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol 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acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetal","SP_HetCD_1":"621017.8758","SP_HetCD_2":"1051431.848","SP_HetCD_3":"1640276.321","SP_HetCD_4":"555748.5635","SP_HetCD_5":"1188122.853","SP_HetCD_6":"1030790.32","SP_HetHFD_1":"1006666.998","SP_HetHFD_2":"1447560.752","SP_HetHFD_3":"1695620.437","SP_HetHFD_4":"452703.1542","SP_HetHFD_5":"377314.8605","SP_HetHFD_6":"1686881.758","SP_WTCD_1":"749368.4355","SP_WTCD_2":"1214284.937","SP_WTCD_3":"3351615.264","SP_WTCD_4":"1180564.64","SP_WTCD_5":"767788.0201","SP_WTCD_6":"1159588.36","SP_WTHFD_1":"845985.23","SP_WTHFD_2":"869491.4422","SP_WTHFD_3":"2655039.213","SP_WTHFD_4":"922177.5149","SP_WTHFD_5":"870180.694","SP_WTHFD_6":"561263.2007"},{"Metabolite":"Tolmetin 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acid;Norophthalmic acid","SP_HetCD_1":"1785532.299","SP_HetCD_2":"1860034.543","SP_HetCD_3":"2580553.12","SP_HetCD_4":"2155650.342","SP_HetCD_5":"1980487.134","SP_HetCD_6":"2218742.68","SP_HetHFD_1":"2271223.227","SP_HetHFD_2":"2294628.071","SP_HetHFD_3":"2315188.23","SP_HetHFD_4":"1395509.568","SP_HetHFD_5":"655609.0329","SP_HetHFD_6":"2827793.461","SP_WTCD_1":"2409716.614","SP_WTCD_2":"2227456.917","SP_WTCD_3":"2107965.849","SP_WTCD_4":"2797893.358","SP_WTCD_5":"2858988.03","SP_WTCD_6":"1915795.781","SP_WTHFD_1":"3272943.658","SP_WTHFD_2":"2105712.035","SP_WTHFD_3":"1816256.944","SP_WTHFD_4":"2789283.158","SP_WTHFD_5":"2850870.828","SP_WTHFD_6":"2560228.258"},{"Metabolite":"Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1,4-erythrono-D-lactone;2-Deoxy-L-ribono-1,4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate","SP_HetCD_1":"867509.9925","SP_HetCD_2":"918595.3293","SP_HetCD_3":"3167728.047","SP_HetCD_4":"1988669.169","SP_HetCD_5":"983785.8977","SP_HetCD_6":"919534.608","SP_HetHFD_1":"1419354.203","SP_HetHFD_2":"1221865.065","SP_HetHFD_3":"1415103.088","SP_HetHFD_4":"2136790.528","SP_HetHFD_5":"1246366.33","SP_HetHFD_6":"1256522.13","SP_WTCD_1":"1337248.452","SP_WTCD_2":"2117661.839","SP_WTCD_3":"1630762.197","SP_WTCD_4":"1171686.3","SP_WTCD_5":"2370444.431","SP_WTCD_6":"3264812.691","SP_WTHFD_1":"1284142.064","SP_WTHFD_2":"1309157.784","SP_WTHFD_3":"1121617.116","SP_WTHFD_4":"1333486.64","SP_WTHFD_5":"1189106.415","SP_WTHFD_6":"1406506.708"},{"Metabolite":"(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2,4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acid","SP_HetCD_1":"1236977.823","SP_HetCD_2":"977438.8077","SP_HetCD_3":"610639.0095","SP_HetCD_4":"3115780.32","SP_HetCD_5":"2590469.333","SP_HetCD_6":"1931559.32","SP_HetHFD_1":"1282024.176","SP_HetHFD_2":"3264099.126","SP_HetHFD_3":"2332292.736","SP_HetHFD_4":"1717390.222","SP_HetHFD_5":"1592847.56","SP_HetHFD_6":"940274.087","SP_WTCD_1":"735790.0727","SP_WTCD_2":"901554.6962","SP_WTCD_3":"278467.0134","SP_WTCD_4":"417599.1894","SP_WTCD_5":"1209257.405","SP_WTCD_6":"762763.2596","SP_WTHFD_1":"466165.5742","SP_WTHFD_2":"646467.1663","SP_WTHFD_3":"638058.6779","SP_WTHFD_4":"594742.6333","SP_WTHFD_5":"354481.9186","SP_WTHFD_6":"999876.9587"},{"Metabolite":"2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid","SP_HetCD_1":"1472478.589","SP_HetCD_2":"1219379.169","SP_HetCD_3":"2691561.061","SP_HetCD_4":"2464793.715","SP_HetCD_5":"796222.9542","SP_HetCD_6":"709817.3561","SP_HetHFD_1":"1618162.862","SP_HetHFD_2":"1275292.927","SP_HetHFD_3":"1469583.101","SP_HetHFD_4":"2644934.177","SP_HetHFD_5":"897939.0027","SP_HetHFD_6":"1042750.975","SP_WTCD_1":"1755911.641","SP_WTCD_2":"3239935.611","SP_WTCD_3":"2886799.398","SP_WTCD_4":"1391793.174","SP_WTCD_5":"2478068.156","SP_WTCD_6":"2609180.992","SP_WTHFD_1":"1160554.546","SP_WTHFD_2":"1268435.764","SP_WTHFD_3":"1242494.604","SP_WTHFD_4":"1513881.477","SP_WTHFD_5":"988527.6278","SP_WTHFD_6":"1335741.758"},{"Metabolite":"3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acid","SP_HetCD_1":"3162824.64","SP_HetCD_2":"3138249.953","SP_HetCD_3":"931139.3342","SP_HetCD_4":"765251.5108","SP_HetCD_5":"811466.6868","SP_HetCD_6":"905991.4014","SP_HetHFD_1":"938886.8914","SP_HetHFD_2":"902224.8546","SP_HetHFD_3":"1009803.813","SP_HetHFD_4":"1226213.597","SP_HetHFD_5":"1468708.58","SP_HetHFD_6":"622667.5013","SP_WTCD_1":"747056.3549","SP_WTCD_2":"2394809.724","SP_WTCD_3":"3124126.383","SP_WTCD_4":"2674689.351","SP_WTCD_5":"928535.3639","SP_WTCD_6":"722480.0576","SP_WTHFD_1":"909162.2031","SP_WTHFD_2":"1057570.365","SP_WTHFD_3":"827939.3348","SP_WTHFD_4":"814859.5122","SP_WTHFD_5":"685308.9355","SP_WTHFD_6":"895555.5477"},{"Metabolite":"Kuwanon Z","SP_HetCD_1":"7618.77531","SP_HetCD_2":"5073.980271","SP_HetCD_3":"1089780.471","SP_HetCD_4":"3156326.575","SP_HetCD_5":"11860.72564","SP_HetCD_6":"3987.259766","SP_HetHFD_1":"15112.49758","SP_HetHFD_2":"4356.734573","SP_HetHFD_3":"4530.518513","SP_HetHFD_4":"7872.027699","SP_HetHFD_5":"4664.568652","SP_HetHFD_6":"5242.324016","SP_WTCD_1":"1818646.735","SP_WTCD_2":"548592.4178","SP_WTCD_3":"893693.6468","SP_WTCD_4":"4257.191846","SP_WTCD_5":"2239128.591","SP_WTCD_6":"1815515.757","SP_WTHFD_1":"4521.406174","SP_WTHFD_2":"4115.354348","SP_WTHFD_3":"4005.736862","SP_WTHFD_4":"4177.276653","SP_WTHFD_5":"10706.59732","SP_WTHFD_6":"110174.8069"},{"Metabolite":"D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-Apiose","SP_HetCD_1":"1479500.386","SP_HetCD_2":"1035763.278","SP_HetCD_3":"3154174.626","SP_HetCD_4":"2922703.282","SP_HetCD_5":"1483897.194","SP_HetCD_6":"744041.2568","SP_HetHFD_1":"1918845.423","SP_HetHFD_2":"826616.0087","SP_HetHFD_3":"307766.1098","SP_HetHFD_4":"1397682.539","SP_HetHFD_5":"1714241.324","SP_HetHFD_6":"1654909.814","SP_WTCD_1":"1594883.559","SP_WTCD_2":"2620656.654","SP_WTCD_3":"2086856.369","SP_WTCD_4":"918354.4432","SP_WTCD_5":"1954508.814","SP_WTCD_6":"2748751.701","SP_WTHFD_1":"1953678.009","SP_WTHFD_2":"1080304.594","SP_WTHFD_3":"1352974.555","SP_WTHFD_4":"761588.0943","SP_WTHFD_5":"1292508.4","SP_WTHFD_6":"979954.0344"},{"Metabolite":"Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic Acid","SP_HetCD_1":"1046057.926","SP_HetCD_2":"572936.7937","SP_HetCD_3":"1423441.586","SP_HetCD_4":"1233348.654","SP_HetCD_5":"1037451.625","SP_HetCD_6":"325975.7658","SP_HetHFD_1":"3119621.401","SP_HetHFD_2":"1844536.612","SP_HetHFD_3":"1244219.096","SP_HetHFD_4":"1100730.401","SP_HetHFD_5":"1279952.858","SP_HetHFD_6":"965005.0443","SP_WTCD_1":"1003998.374","SP_WTCD_2":"1071589.019","SP_WTCD_3":"814270.0721","SP_WTCD_4":"1122008.48","SP_WTCD_5":"1195964.788","SP_WTCD_6":"856523.3431","SP_WTHFD_1":"724200.5866","SP_WTHFD_2":"845052.2975","SP_WTHFD_3":"856755.3466","SP_WTHFD_4":"830591.9094","SP_WTHFD_5":"887179.3458","SP_WTHFD_6":"1024414.49"},{"Metabolite":"LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0)","SP_HetCD_1":"14207.73933","SP_HetCD_2":"11663.23406","SP_HetCD_3":"55163.48571","SP_HetCD_4":"32602.35563","SP_HetCD_5":"21724.99635","SP_HetCD_6":"47953.10626","SP_HetHFD_1":"256864.9226","SP_HetHFD_2":"772603.4884","SP_HetHFD_3":"3048437.655","SP_HetHFD_4":"326475.0259","SP_HetHFD_5":"284055.7974","SP_HetHFD_6":"17872.77836","SP_WTCD_1":"17005.01055","SP_WTCD_2":"12378.26392","SP_WTCD_3":"84543.81791","SP_WTCD_4":"5462.631032","SP_WTCD_5":"109456.7503","SP_WTCD_6":"44364.22178","SP_WTHFD_1":"59863.49012","SP_WTHFD_2":"57793.22069","SP_WTHFD_3":"46546.68523","SP_WTHFD_4":"302837.5494","SP_WTHFD_5":"188209.1837","SP_WTHFD_6":"104403.0811"},{"Metabolite":"3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone","SP_HetCD_1":"11616.24306","SP_HetCD_2":"10127.37615","SP_HetCD_3":"15213.72316","SP_HetCD_4":"14125.42794","SP_HetCD_5":"11725.13211","SP_HetCD_6":"13006.39923","SP_HetHFD_1":"11148.47422","SP_HetHFD_2":"31904.03888","SP_HetHFD_3":"11198.61988","SP_HetHFD_4":"3032098.128","SP_HetHFD_5":"422323.5189","SP_HetHFD_6":"17512.07643","SP_WTCD_1":"15278.43469","SP_WTCD_2":"18279.00049","SP_WTCD_3":"14087.97938","SP_WTCD_4":"10008.24428","SP_WTCD_5":"19223.40304","SP_WTCD_6":"17401.57478","SP_WTHFD_1":"11075.25688","SP_WTHFD_2":"9479.43879","SP_WTHFD_3":"13082.30541","SP_WTHFD_4":"11441.89242","SP_WTHFD_5":"11209.96428","SP_WTHFD_6":"11429.46998"},{"Metabolite":"Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2,2,6,6-Tetramethyl-4-piperidinone","SP_HetCD_1":"239218.6537","SP_HetCD_2":"240700.916","SP_HetCD_3":"915532.0994","SP_HetCD_4":"561675.5529","SP_HetCD_5":"1679674.993","SP_HetCD_6":"581763.0179","SP_HetHFD_1":"210638.6822","SP_HetHFD_2":"1139408.449","SP_HetHFD_3":"694614.8824","SP_HetHFD_4":"284416.5684","SP_HetHFD_5":"367665.0384","SP_HetHFD_6":"161422.5429","SP_WTCD_1":"3017657.868","SP_WTCD_2":"416631.3852","SP_WTCD_3":"743244.4685","SP_WTCD_4":"293849.0071","SP_WTCD_5":"252888.8188","SP_WTCD_6":"464869.0639","SP_WTHFD_1":"99389.07158","SP_WTHFD_2":"333573.2885","SP_WTHFD_3":"192718.1092","SP_WTHFD_4":"146903.7257","SP_WTHFD_5":"1225421.106","SP_WTHFD_6":"119955.462"},{"Metabolite":"Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin A","SP_HetCD_1":"2971228.082","SP_HetCD_2":"2803165.816","SP_HetCD_3":"682998.7794","SP_HetCD_4":"593912.254","SP_HetCD_5":"630481.9587","SP_HetCD_6":"635712.9042","SP_HetHFD_1":"675194.8041","SP_HetHFD_2":"655446.5099","SP_HetHFD_3":"804202.0308","SP_HetHFD_4":"754352.8582","SP_HetHFD_5":"956834.403","SP_HetHFD_6":"602216.9508","SP_WTCD_1":"638782.8015","SP_WTCD_2":"2272081.13","SP_WTCD_3":"2777495.678","SP_WTCD_4":"2406077.915","SP_WTCD_5":"804621.1487","SP_WTCD_6":"613319.2141","SP_WTHFD_1":"708422.9995","SP_WTHFD_2":"781097.1","SP_WTHFD_3":"650905.2109","SP_WTHFD_4":"566649.3023","SP_WTHFD_5":"547349.5332","SP_WTHFD_6":"633214.0944"},{"Metabolite":"Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;Glutaminylserine","SP_HetCD_1":"2793894.342","SP_HetCD_2":"99472.74252","SP_HetCD_3":"1055048.709","SP_HetCD_4":"2950312.482","SP_HetCD_5":"33180.279","SP_HetCD_6":"6222.095454","SP_HetHFD_1":"770131.9177","SP_HetHFD_2":"54041.14089","SP_HetHFD_3":"24354.3135","SP_HetHFD_4":"75836.97927","SP_HetHFD_5":"6499.723299","SP_HetHFD_6":"124644.3487","SP_WTCD_1":"1298984.447","SP_WTCD_2":"212458.3335","SP_WTCD_3":"407294.3107","SP_WTCD_4":"10584.84497","SP_WTCD_5":"826358.0345","SP_WTCD_6":"372305.3047","SP_WTHFD_1":"40184.78455","SP_WTHFD_2":"5068.323414","SP_WTHFD_3":"34688.46246","SP_WTHFD_4":"31403.69923","SP_WTHFD_5":"56825.41409","SP_WTHFD_6":"169198.4115"},{"Metabolite":"N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;N-Isobutyl-2,4,8-decatrienamide;Sarmentine","SP_HetCD_1":"1708715.023","SP_HetCD_2":"1156843.965","SP_HetCD_3":"2765660.038","SP_HetCD_4":"2850958.297","SP_HetCD_5":"2214301.822","SP_HetCD_6":"2327138.684","SP_HetHFD_1":"2080032.507","SP_HetHFD_2":"2117035.738","SP_HetHFD_3":"1872714.655","SP_HetHFD_4":"2396086.526","SP_HetHFD_5":"2945821.016","SP_HetHFD_6":"1204016.189","SP_WTCD_1":"1519760.531","SP_WTCD_2":"1924208.076","SP_WTCD_3":"1361058.907","SP_WTCD_4":"2033343.039","SP_WTCD_5":"1420045.155","SP_WTCD_6":"1416605.375","SP_WTHFD_1":"780632.4144","SP_WTHFD_2":"1440737.989","SP_WTHFD_3":"1040985.474","SP_WTHFD_4":"1233573.904","SP_WTHFD_5":"1121538.009","SP_WTHFD_6":"1876581.473"},{"Metabolite":"Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;5-Methyl-5-hepten-2-one;2,4,4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-one","SP_HetCD_1":"2918336.15","SP_HetCD_2":"2784871.675","SP_HetCD_3":"974769.4925","SP_HetCD_4":"908845.8789","SP_HetCD_5":"971863.3472","SP_HetCD_6":"931383.3755","SP_HetHFD_1":"1055855.51","SP_HetHFD_2":"1000246.605","SP_HetHFD_3":"1157200.144","SP_HetHFD_4":"1166614.07","SP_HetHFD_5":"1324710.569","SP_HetHFD_6":"834394.9753","SP_WTCD_1":"841947.1487","SP_WTCD_2":"2187395.423","SP_WTCD_3":"2642371.805","SP_WTCD_4":"2646875.736","SP_WTCD_5":"1014298.493","SP_WTCD_6":"896588.5319","SP_WTHFD_1":"1053902.967","SP_WTHFD_2":"1293420.324","SP_WTHFD_3":"1061839.611","SP_WTHFD_4":"1022302.093","SP_WTHFD_5":"921982.9011","SP_WTHFD_6":"1016681.889"},{"Metabolite":"Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic 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acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acid","SP_HetCD_1":"1528374.81","SP_HetCD_2":"925928.0039","SP_HetCD_3":"2697188.532","SP_HetCD_4":"1850395.996","SP_HetCD_5":"2759150.428","SP_HetCD_6":"2329079.458","SP_HetHFD_1":"1601158.299","SP_HetHFD_2":"1643967.586","SP_HetHFD_3":"1939037.587","SP_HetHFD_4":"1982402.823","SP_HetHFD_5":"1273740.074","SP_HetHFD_6":"2020381.127","SP_WTCD_1":"1337662.188","SP_WTCD_2":"897033.4699","SP_WTCD_3":"685384.4729","SP_WTCD_4":"1067733.486","SP_WTCD_5":"918653.7033","SP_WTCD_6":"780812.5489","SP_WTHFD_1":"1033817.996","SP_WTHFD_2":"620816.7814","SP_WTHFD_3":"803033.9651","SP_WTHFD_4":"963298.7628","SP_WTHFD_5":"628425.3492","SP_WTHFD_6":"890002.1714"},{"Metabolite":"N-Desmethyl tapentadol","SP_HetCD_1":"2188747.174","SP_HetCD_2":"1580510.242","SP_HetCD_3":"2729196.207","SP_HetCD_4":"2392834.54","SP_HetCD_5":"2357170.827","SP_HetCD_6":"2691689.98","SP_HetHFD_1":"2178022.182","SP_HetHFD_2":"2142309.291","SP_HetHFD_3":"1854836.404","SP_HetHFD_4":"2226249.132","SP_HetHFD_5":"2541960.59","SP_HetHFD_6":"1410901.103","SP_WTCD_1":"2125380.072","SP_WTCD_2":"2185209.923","SP_WTCD_3":"1712236.425","SP_WTCD_4":"2410552.492","SP_WTCD_5":"1752844.86","SP_WTCD_6":"1730956.673","SP_WTHFD_1":"1018653.554","SP_WTHFD_2":"1670451.379","SP_WTHFD_3":"1067314.516","SP_WTHFD_4":"1383932.203","SP_WTHFD_5":"1416572.391","SP_WTHFD_6":"2039282.188"},{"Metabolite":"N-Acetylarylamine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-Phenylacetamide","SP_HetCD_1":"2440618.383","SP_HetCD_2":"2372851.266","SP_HetCD_3":"2371970.787","SP_HetCD_4":"2712578.273","SP_HetCD_5":"2398257.125","SP_HetCD_6":"2717313.473","SP_HetHFD_1":"2294288.751","SP_HetHFD_2":"2127126.272","SP_HetHFD_3":"1861907.761","SP_HetHFD_4":"2026161.547","SP_HetHFD_5":"1913254.421","SP_HetHFD_6":"1902023.072","SP_WTCD_1":"2228034.478","SP_WTCD_2":"2321549.653","SP_WTCD_3":"2198360.527","SP_WTCD_4":"2512812.806","SP_WTCD_5":"1987632.618","SP_WTCD_6":"2114424.852","SP_WTHFD_1":"1696188.558","SP_WTHFD_2":"1881256.889","SP_WTHFD_3":"1684141.422","SP_WTHFD_4":"1738834.59","SP_WTHFD_5":"1761560.828","SP_WTHFD_6":"1945874.38"},{"Metabolite":"Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid","SP_HetCD_1":"2715007.943","SP_HetCD_2":"1691595.152","SP_HetCD_3":"277318.4365","SP_HetCD_4":"85701.49748","SP_HetCD_5":"92538.80995","SP_HetCD_6":"49786.38222","SP_HetHFD_1":"36635.87859","SP_HetHFD_2":"38922.19627","SP_HetHFD_3":"32639.00879","SP_HetHFD_4":"164525.4724","SP_HetHFD_5":"46806.49331","SP_HetHFD_6":"27118.85181","SP_WTCD_1":"105853.0565","SP_WTCD_2":"240236.2126","SP_WTCD_3":"36072.01726","SP_WTCD_4":"41462.05411","SP_WTCD_5":"42405.54321","SP_WTCD_6":"45867.18886","SP_WTHFD_1":"16181.77877","SP_WTHFD_2":"17807.97118","SP_WTHFD_3":"23559.41517","SP_WTHFD_4":"16414.79127","SP_WTHFD_5":"11070.40344","SP_WTHFD_6":"18809.10823"},{"Metabolite":"Thiolutin","SP_HetCD_1":"127916.0368","SP_HetCD_2":"19254.47284","SP_HetCD_3":"371045.1027","SP_HetCD_4":"1083638.6","SP_HetCD_5":"55055.16383","SP_HetCD_6":"25622.43197","SP_HetHFD_1":"61425.64283","SP_HetHFD_2":"6911.051067","SP_HetHFD_3":"9938.791121","SP_HetHFD_4":"1764806.85","SP_HetHFD_5":"2679535.082","SP_HetHFD_6":"7632.204142","SP_WTCD_1":"213701.645","SP_WTCD_2":"383285.5557","SP_WTCD_3":"59414.49122","SP_WTCD_4":"6734.526388","SP_WTCD_5":"249229.8157","SP_WTCD_6":"169717.6817","SP_WTHFD_1":"99549.6518","SP_WTHFD_2":"6249.267103","SP_WTHFD_3":"21467.73946","SP_WTHFD_4":"8234.821884","SP_WTHFD_5":"23754.54324","SP_WTHFD_6":"121975.6893"},{"Metabolite":"3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R,S)-3-hydroxybutyrate","SP_HetCD_1":"559952.7889","SP_HetCD_2":"621998.0755","SP_HetCD_3":"1327506.46","SP_HetCD_4":"646034.6396","SP_HetCD_5":"973875.05","SP_HetCD_6":"991861.6656","SP_HetHFD_1":"1011242.854","SP_HetHFD_2":"963132.6174","SP_HetHFD_3":"1733740.045","SP_HetHFD_4":"514538.8083","SP_HetHFD_5":"1538776.887","SP_HetHFD_6":"2343512.685","SP_WTCD_1":"257848.579","SP_WTCD_2":"277798.496","SP_WTCD_3":"292873.0951","SP_WTCD_4":"449945.6168","SP_WTCD_5":"307687.3986","SP_WTCD_6":"466987.1973","SP_WTHFD_1":"2414715.308","SP_WTHFD_2":"763801.9026","SP_WTHFD_3":"916131.5998","SP_WTHFD_4":"2665763.693","SP_WTHFD_5":"583436.5697","SP_WTHFD_6":"1846850.195"},{"Metabolite":"Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1,2,4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde","SP_HetCD_1":"11486.10846","SP_HetCD_2":"10013.92105","SP_HetCD_3":"15043.28666","SP_HetCD_4":"13967.1834","SP_HetCD_5":"11593.77764","SP_HetCD_6":"10207.62045","SP_HetHFD_1":"11023.57994","SP_HetHFD_2":"18617.37142","SP_HetHFD_3":"11073.16383","SP_HetHFD_4":"2604596.399","SP_HetHFD_5":"337983.6065","SP_HetHFD_6":"14691.78239","SP_WTCD_1":"15107.27323","SP_WTCD_2":"13546.45285","SP_WTCD_3":"13696.8055","SP_WTCD_4":"9896.12378","SP_WTCD_5":"17829.08607","SP_WTCD_6":"17206.62818","SP_WTHFD_1":"10951.18284","SP_WTHFD_2":"8762.585627","SP_WTHFD_3":"10275.75881","SP_WTHFD_4":"11187.36748","SP_WTHFD_5":"10497.10369","SP_WTHFD_6":"10552.76287"},{"Metabolite":"Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2,6,10-Trimethylundecanoic acid;Hexanal octane-1,3-diol acetal","SP_HetCD_1":"161534.8804","SP_HetCD_2":"380636.9229","SP_HetCD_3":"560288.4276","SP_HetCD_4":"96345.43958","SP_HetCD_5":"680187.9256","SP_HetCD_6":"675450.6343","SP_HetHFD_1":"555211.803","SP_HetHFD_2":"1399159.302","SP_HetHFD_3":"2598434.862","SP_HetHFD_4":"77892.42734","SP_HetHFD_5":"103509.0501","SP_HetHFD_6":"1252631.168","SP_WTCD_1":"223289.9975","SP_WTCD_2":"608482.4018","SP_WTCD_3":"1076067.133","SP_WTCD_4":"949856.3969","SP_WTCD_5":"632180.408","SP_WTCD_6":"754707.8138","SP_WTHFD_1":"488492.4578","SP_WTHFD_2":"404991.0186","SP_WTHFD_3":"198841.641","SP_WTHFD_4":"739884.5381","SP_WTHFD_5":"512553.6016","SP_WTHFD_6":"242375.7491"},{"Metabolite":"Sorbitol;Mannitol;Galactitol;L-Iditol","SP_HetCD_1":"949139.5452","SP_HetCD_2":"731339.5208","SP_HetCD_3":"1567448.73","SP_HetCD_4":"1575696.935","SP_HetCD_5":"1769175.486","SP_HetCD_6":"731374.5203","SP_HetHFD_1":"1382612.074","SP_HetHFD_2":"1239200.758","SP_HetHFD_3":"1344443.908","SP_HetHFD_4":"1548612.374","SP_HetHFD_5":"931267.0521","SP_HetHFD_6":"1219750.716","SP_WTCD_1":"1360561.627","SP_WTCD_2":"2220537.717","SP_WTCD_3":"1473962.271","SP_WTCD_4":"735990.7226","SP_WTCD_5":"2213748.056","SP_WTCD_6":"2560763.658","SP_WTHFD_1":"881782.5202","SP_WTHFD_2":"935976.226","SP_WTHFD_3":"731876.4724","SP_WTHFD_4":"1033846.319","SP_WTHFD_5":"971247.6434","SP_WTHFD_6":"940520.7161"},{"Metabolite":"2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1,3,5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1,3-diol;5-methoxy-2,4-dimethylbenzene-1,3-diol;1-Ipomeanol;2,6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1,2-diol;3,5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1,3-diol","SP_HetCD_1":"2230495.638","SP_HetCD_2":"2560741.717","SP_HetCD_3":"1757826.097","SP_HetCD_4":"1312468.441","SP_HetCD_5":"1431498.483","SP_HetCD_6":"1332701.707","SP_HetHFD_1":"1517589.717","SP_HetHFD_2":"1355330.353","SP_HetHFD_3":"1449595.95","SP_HetHFD_4":"1472149.597","SP_HetHFD_5":"2123672.52","SP_HetHFD_6":"1035448.907","SP_WTCD_1":"1207884.331","SP_WTCD_2":"1872539.979","SP_WTCD_3":"1989466.812","SP_WTCD_4":"2045654.511","SP_WTCD_5":"1344041.593","SP_WTCD_6":"1029050.687","SP_WTHFD_1":"1069152.5","SP_WTHFD_2":"1335013.99","SP_WTHFD_3":"1131114.606","SP_WTHFD_4":"970701.2057","SP_WTHFD_5":"996715.8554","SP_WTHFD_6":"1277452.442"},{"Metabolite":"Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;1-Furfurylpyrrolidine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-Hydroxyamphetamine","SP_HetCD_1":"1985094.513","SP_HetCD_2":"1725538.403","SP_HetCD_3":"1915833.071","SP_HetCD_4":"2067803.336","SP_HetCD_5":"2101625.992","SP_HetCD_6":"2489139.39","SP_HetHFD_1":"1751729.396","SP_HetHFD_2":"1555125.729","SP_HetHFD_3":"1536218.864","SP_HetHFD_4":"1549730.38","SP_HetHFD_5":"1751901.981","SP_HetHFD_6":"1564936.478","SP_WTCD_1":"1902622.693","SP_WTCD_2":"1802429.854","SP_WTCD_3":"1699771.102","SP_WTCD_4":"2182824.063","SP_WTCD_5":"1547050.728","SP_WTCD_6":"1543010.46","SP_WTHFD_1":"1200464.079","SP_WTHFD_2":"1460010.135","SP_WTHFD_3":"968544.2135","SP_WTHFD_4":"1247813.653","SP_WTHFD_5":"1261124.305","SP_WTHFD_6":"1485840.091"},{"Metabolite":"N-lactoyl-Methionine","SP_HetCD_1":"231999.4808","SP_HetCD_2":"357476.4023","SP_HetCD_3":"1419930.308","SP_HetCD_4":"2030049.396","SP_HetCD_5":"251832.264","SP_HetCD_6":"118882.3426","SP_HetHFD_1":"495163.6579","SP_HetHFD_2":"347830.1716","SP_HetHFD_3":"423314.558","SP_HetHFD_4":"639070.0424","SP_HetHFD_5":"473748.656","SP_HetHFD_6":"429278.8784","SP_WTCD_1":"2010930.748","SP_WTCD_2":"989775.0944","SP_WTCD_3":"1177710.848","SP_WTCD_4":"69425.16577","SP_WTCD_5":"2471852.637","SP_WTCD_6":"2144553.367","SP_WTHFD_1":"489238.0241","SP_WTHFD_2":"143128.0368","SP_WTHFD_3":"382566.1422","SP_WTHFD_4":"527719.0545","SP_WTHFD_5":"297851.6698","SP_WTHFD_6":"596234.6673"},{"Metabolite":"Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;(S)-2-Acetolactate;2-Acetolactate","SP_HetCD_1":"2452758.31","SP_HetCD_2":"2461023.151","SP_HetCD_3":"866436.6223","SP_HetCD_4":"584034.9672","SP_HetCD_5":"868073.3144","SP_HetCD_6":"1002672.658","SP_HetHFD_1":"1062148.962","SP_HetHFD_2":"962749.8005","SP_HetHFD_3":"1054347.192","SP_HetHFD_4":"979036.5268","SP_HetHFD_5":"1030195.389","SP_HetHFD_6":"673832.547","SP_WTCD_1":"992073.5748","SP_WTCD_2":"2262540.813","SP_WTCD_3":"1607413.907","SP_WTCD_4":"1513729.474","SP_WTCD_5":"803143.1387","SP_WTCD_6":"644582.4228","SP_WTHFD_1":"854468.0321","SP_WTHFD_2":"999502.2767","SP_WTHFD_3":"1016243.099","SP_WTHFD_4":"806291.7849","SP_WTHFD_5":"615315.6814","SP_WTHFD_6":"934664.9347"},{"Metabolite":"Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-Cellobiosylcellobiose","SP_HetCD_1":"55623.21683","SP_HetCD_2":"20681.60051","SP_HetCD_3":"121997.0919","SP_HetCD_4":"91731.88098","SP_HetCD_5":"3891.525884","SP_HetCD_6":"3479.949145","SP_HetHFD_1":"38532.95764","SP_HetHFD_2":"25138.24674","SP_HetHFD_3":"16070.19063","SP_HetHFD_4":"2424488.791","SP_HetHFD_5":"571984.9697","SP_HetHFD_6":"74548.52576","SP_WTCD_1":"73541.3841","SP_WTCD_2":"31230.76802","SP_WTCD_3":"63207.77456","SP_WTCD_4":"3809.460811","SP_WTCD_5":"124912.0992","SP_WTCD_6":"120476.9729","SP_WTHFD_1":"7757.20905","SP_WTHFD_2":"8856.382333","SP_WTHFD_3":"3455.504603","SP_WTHFD_4":"5351.963219","SP_WTHFD_5":"5022.856918","SP_WTHFD_6":"14632.57357"},{"Metabolite":"Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1,4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoate","SP_HetCD_1":"303430.9152","SP_HetCD_2":"2380232.673","SP_HetCD_3":"964414.933","SP_HetCD_4":"209509.021","SP_HetCD_5":"931558.944","SP_HetCD_6":"208049.5457","SP_HetHFD_1":"1820750.714","SP_HetHFD_2":"163469.49","SP_HetHFD_3":"991286.3628","SP_HetHFD_4":"193992.1404","SP_HetHFD_5":"289099.3935","SP_HetHFD_6":"180784.7484","SP_WTCD_1":"1316460.029","SP_WTCD_2":"840726.9427","SP_WTCD_3":"995399.9352","SP_WTCD_4":"1866444.728","SP_WTCD_5":"1603256.976","SP_WTCD_6":"690873.1035","SP_WTHFD_1":"153011.3251","SP_WTHFD_2":"106316.4562","SP_WTHFD_3":"168824.6792","SP_WTHFD_4":"163151.709","SP_WTHFD_5":"614662.5464","SP_WTHFD_6":"100310.4706"},{"Metabolite":"Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid","SP_HetCD_1":"1742460.511","SP_HetCD_2":"1304869.205","SP_HetCD_3":"2146681.822","SP_HetCD_4":"1647034.278","SP_HetCD_5":"1043766.051","SP_HetCD_6":"1160035.608","SP_HetHFD_1":"1695447.468","SP_HetHFD_2":"1534278.384","SP_HetHFD_3":"1394859.566","SP_HetHFD_4":"2028040.43","SP_HetHFD_5":"1619350.833","SP_HetHFD_6":"1464816.987","SP_WTCD_1":"1853018.583","SP_WTCD_2":"1955770.284","SP_WTCD_3":"1435649.635","SP_WTCD_4":"1844192.988","SP_WTCD_5":"2370676.668","SP_WTCD_6":"2334655.935","SP_WTHFD_1":"1488187.311","SP_WTHFD_2":"1557961.332","SP_WTHFD_3":"1872451.132","SP_WTHFD_4":"1811845.096","SP_WTHFD_5":"1078550.508","SP_WTHFD_6":"1713482.042"},{"Metabolite":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-Acetamidobutanal","SP_HetCD_1":"2343924.291","SP_HetCD_2":"1891544.503","SP_HetCD_3":"2116693.184","SP_HetCD_4":"1511035.85","SP_HetCD_5":"1563852.415","SP_HetCD_6":"1445539.398","SP_HetHFD_1":"1351624.26","SP_HetHFD_2":"1392218.643","SP_HetHFD_3":"1406846.62","SP_HetHFD_4":"1724484.703","SP_HetHFD_5":"2201344.931","SP_HetHFD_6":"1725580.681","SP_WTCD_1":"1706715.109","SP_WTCD_2":"1452840.618","SP_WTCD_3":"2256457.188","SP_WTCD_4":"2015466.036","SP_WTCD_5":"1630993.849","SP_WTCD_6":"1478715.211","SP_WTHFD_1":"1117581.243","SP_WTHFD_2":"1115062.517","SP_WTHFD_3":"879080.9798","SP_WTHFD_4":"944575.9656","SP_WTHFD_5":"1180181.706","SP_WTHFD_6":"1109704.795"},{"Metabolite":"Histidinyl-Asparagine;Asparaginyl-Histidine","SP_HetCD_1":"602336.5857","SP_HetCD_2":"505604.4335","SP_HetCD_3":"1426076.834","SP_HetCD_4":"899546.0173","SP_HetCD_5":"676977.0784","SP_HetCD_6":"497709.2337","SP_HetHFD_1":"1062462.2","SP_HetHFD_2":"961985.3282","SP_HetHFD_3":"603975.7845","SP_HetHFD_4":"1239378.989","SP_HetHFD_5":"952564.6208","SP_HetHFD_6":"729323.9293","SP_WTCD_1":"1017304.47","SP_WTCD_2":"1576786.289","SP_WTCD_3":"1168497.491","SP_WTCD_4":"695154.2948","SP_WTCD_5":"2312696.126","SP_WTCD_6":"1641013.674","SP_WTHFD_1":"486208.039","SP_WTHFD_2":"594098.3674","SP_WTHFD_3":"398962.5991","SP_WTHFD_4":"463280.3386","SP_WTHFD_5":"685750.8768","SP_WTHFD_6":"576765.0471"},{"Metabolite":"1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine","SP_HetCD_1":"619917.245","SP_HetCD_2":"480739.5308","SP_HetCD_3":"781505.2889","SP_HetCD_4":"873133.9742","SP_HetCD_5":"1082707.686","SP_HetCD_6":"1017143.156","SP_HetHFD_1":"980276.8008","SP_HetHFD_2":"1439018.952","SP_HetHFD_3":"954267.966","SP_HetHFD_4":"2285308.272","SP_HetHFD_5":"1990690.072","SP_HetHFD_6":"1215666.208","SP_WTCD_1":"1274616.961","SP_WTCD_2":"426606.8971","SP_WTCD_3":"653612.7728","SP_WTCD_4":"680270.5401","SP_WTCD_5":"734999.9415","SP_WTCD_6":"1201991.379","SP_WTHFD_1":"378652.9138","SP_WTHFD_2":"390264.6505","SP_WTHFD_3":"588839.3458","SP_WTHFD_4":"765483.8159","SP_WTHFD_5":"703046.5731","SP_WTHFD_6":"733697.6671"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)valine","SP_HetCD_1":"526588.4247","SP_HetCD_2":"840936.1135","SP_HetCD_3":"1446871.215","SP_HetCD_4":"1036104.629","SP_HetCD_5":"1472889.007","SP_HetCD_6":"810175.3212","SP_HetHFD_1":"1262775.983","SP_HetHFD_2":"1709310.364","SP_HetHFD_3":"1035598.374","SP_HetHFD_4":"392892.1181","SP_HetHFD_5":"309666.4105","SP_HetHFD_6":"709574.2856","SP_WTCD_1":"1526334.429","SP_WTCD_2":"2132821.551","SP_WTCD_3":"2071012.687","SP_WTCD_4":"2284725.401","SP_WTCD_5":"1720080.224","SP_WTCD_6":"1877906.041","SP_WTHFD_1":"522325.811","SP_WTHFD_2":"823970.3089","SP_WTHFD_3":"726612.5325","SP_WTHFD_4":"609393.6902","SP_WTHFD_5":"1088684.992","SP_WTHFD_6":"456723.8663"},{"Metabolite":"5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5,7-dimethyl-4-octanolide","SP_HetCD_1":"2282718.691","SP_HetCD_2":"2228736.483","SP_HetCD_3":"1010860.54","SP_HetCD_4":"798720.5507","SP_HetCD_5":"1066165.262","SP_HetCD_6":"922803.6381","SP_HetHFD_1":"761235.746","SP_HetHFD_2":"835991.1318","SP_HetHFD_3":"748222.0291","SP_HetHFD_4":"1052028.246","SP_HetHFD_5":"1374283.171","SP_HetHFD_6":"874310.9559","SP_WTCD_1":"872503.3406","SP_WTCD_2":"1368072.369","SP_WTCD_3":"2037196.823","SP_WTCD_4":"1857268.922","SP_WTCD_5":"920762.2859","SP_WTCD_6":"602777.4532","SP_WTHFD_1":"533075.3403","SP_WTHFD_2":"753063.8739","SP_WTHFD_3":"642790.8713","SP_WTHFD_4":"536634.783","SP_WTHFD_5":"663569.2252","SP_WTHFD_6":"724816.1861"},{"Metabolite":"Lysyl-Valine;Valyl-Lysine","SP_HetCD_1":"1057776.19","SP_HetCD_2":"400120.9506","SP_HetCD_3":"964987.9292","SP_HetCD_4":"2264719.988","SP_HetCD_5":"522982.4886","SP_HetCD_6":"82383.69764","SP_HetHFD_1":"318923.2494","SP_HetHFD_2":"302050.463","SP_HetHFD_3":"207632.9832","SP_HetHFD_4":"610746.9608","SP_HetHFD_5":"473060.6572","SP_HetHFD_6":"337500.8654","SP_WTCD_1":"1621957.786","SP_WTCD_2":"994530.3974","SP_WTCD_3":"1028251.191","SP_WTCD_4":"145391.414","SP_WTCD_5":"1671560.087","SP_WTCD_6":"1870318.478","SP_WTHFD_1":"216637.1835","SP_WTHFD_2":"83600.30342","SP_WTHFD_3":"250372.2431","SP_WTHFD_4":"256857.3418","SP_WTHFD_5":"265077.7373","SP_WTHFD_6":"337324.3203"},{"Metabolite":"3-Sulfinato-L-alaninate;3-Sulfinoalanine","SP_HetCD_1":"1129919.051","SP_HetCD_2":"271900.8057","SP_HetCD_3":"2258938.081","SP_HetCD_4":"1288058.921","SP_HetCD_5":"222442.0648","SP_HetCD_6":"115208.2217","SP_HetHFD_1":"1400381.086","SP_HetHFD_2":"158562.4056","SP_HetHFD_3":"119447.7449","SP_HetHFD_4":"254853.0299","SP_HetHFD_5":"260452.6057","SP_HetHFD_6":"540161.622","SP_WTCD_1":"1552927.034","SP_WTCD_2":"1098564.115","SP_WTCD_3":"598799.9031","SP_WTCD_4":"220386.736","SP_WTCD_5":"798868.9751","SP_WTCD_6":"1259132.002","SP_WTHFD_1":"261251.9575","SP_WTHFD_2":"81343.15853","SP_WTHFD_3":"162326.7375","SP_WTHFD_4":"129511.6789","SP_WTHFD_5":"153487.9683","SP_WTHFD_6":"357665.5553"},{"Metabolite":"Hexylamine;Triethylamine","SP_HetCD_1":"434515.7929","SP_HetCD_2":"113795.9178","SP_HetCD_3":"2252821.311","SP_HetCD_4":"933226.4891","SP_HetCD_5":"160162.1202","SP_HetCD_6":"154771.3412","SP_HetHFD_1":"918805.6492","SP_HetHFD_2":"74255.62515","SP_HetHFD_3":"45303.59523","SP_HetHFD_4":"333227.9501","SP_HetHFD_5":"387735.1645","SP_HetHFD_6":"191271.1282","SP_WTCD_1":"590229.4286","SP_WTCD_2":"581138.3325","SP_WTCD_3":"401931.6546","SP_WTCD_4":"959199.8694","SP_WTCD_5":"457589.6239","SP_WTCD_6":"759148.1852","SP_WTHFD_1":"94913.28706","SP_WTHFD_2":"141074.0149","SP_WTHFD_3":"108880.7411","SP_WTHFD_4":"110977.3333","SP_WTHFD_5":"69265.56962","SP_WTHFD_6":"231149.5148"},{"Metabolite":"LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z,17Z));2-Arachidonoylglycerophosphocholine","SP_HetCD_1":"5180.50961","SP_HetCD_2":"2744.05781","SP_HetCD_3":"29134.59413","SP_HetCD_4":"5867.872474","SP_HetCD_5":"4717.892537","SP_HetCD_6":"22115.75121","SP_HetHFD_1":"211687.4428","SP_HetHFD_2":"612311.8891","SP_HetHFD_3":"2197604.828","SP_HetHFD_4":"157414.9385","SP_HetHFD_5":"214413.1402","SP_HetHFD_6":"9796.163207","SP_WTCD_1":"3686.699848","SP_WTCD_2":"4876.701179","SP_WTCD_3":"5869.195349","SP_WTCD_4":"4183.38589","SP_WTCD_5":"32672.04577","SP_WTCD_6":"11148.62447","SP_WTHFD_1":"40952.07527","SP_WTHFD_2":"37152.94222","SP_WTHFD_3":"7482.706658","SP_WTHFD_4":"176784.7522","SP_WTHFD_5":"57843.04281","SP_WTHFD_6":"92305.43154"},{"Metabolite":"Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2,4-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;3-(2,4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3,4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-(2,5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(3,5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-Hydroxyphenyllactate","SP_HetCD_1":"878527.619","SP_HetCD_2":"717847.8516","SP_HetCD_3":"1069981.529","SP_HetCD_4":"1019986.46","SP_HetCD_5":"1029218.306","SP_HetCD_6":"672533.7584","SP_HetHFD_1":"2154939.702","SP_HetHFD_2":"2054534.773","SP_HetHFD_3":"1110803.708","SP_HetHFD_4":"1717369.751","SP_HetHFD_5":"1073713.841","SP_HetHFD_6":"1712922.335","SP_WTCD_1":"941235.1014","SP_WTCD_2":"1256497.941","SP_WTCD_3":"644829.6921","SP_WTCD_4":"532874.2766","SP_WTCD_5":"1115259.922","SP_WTCD_6":"1080248.159","SP_WTHFD_1":"789952.3253","SP_WTHFD_2":"627885.7015","SP_WTHFD_3":"643077.5479","SP_WTHFD_4":"997287.4385","SP_WTHFD_5":"675406.12","SP_WTHFD_6":"1014671.04"},{"Metabolite":"(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol;(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol;(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol;3,7-Dimethyl-3-octene-1,2,6,7-tetrol;(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol","SP_HetCD_1":"370274.0498","SP_HetCD_2":"359226.1075","SP_HetCD_3":"2101245.737","SP_HetCD_4":"871835.0322","SP_HetCD_5":"490315.1784","SP_HetCD_6":"490832.5115","SP_HetHFD_1":"867750.18","SP_HetHFD_2":"216249.8094","SP_HetHFD_3":"188411.4865","SP_HetHFD_4":"329429.557","SP_HetHFD_5":"285600.8575","SP_HetHFD_6":"474154.4801","SP_WTCD_1":"1154570.123","SP_WTCD_2":"1030269.126","SP_WTCD_3":"961902.6856","SP_WTCD_4":"347483.5538","SP_WTCD_5":"918441.4232","SP_WTCD_6":"1368293.008","SP_WTHFD_1":"275809.4824","SP_WTHFD_2":"226778.3231","SP_WTHFD_3":"304321.1978","SP_WTHFD_4":"299556.2973","SP_WTHFD_5":"258206.2321","SP_WTHFD_6":"314553.4083"},{"Metabolite":"(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline","SP_HetCD_1":"1879022.769","SP_HetCD_2":"1875718.071","SP_HetCD_3":"2005450.617","SP_HetCD_4":"1672199.812","SP_HetCD_5":"2095393.208","SP_HetCD_6":"1815835.951","SP_HetHFD_1":"1300201.722","SP_HetHFD_2":"1336924.271","SP_HetHFD_3":"1517316.713","SP_HetHFD_4":"1601589.541","SP_HetHFD_5":"1506791.846","SP_HetHFD_6":"1904431.994","SP_WTCD_1":"1679995.909","SP_WTCD_2":"1569277.879","SP_WTCD_3":"1629086.742","SP_WTCD_4":"1741131.641","SP_WTCD_5":"1334630.979","SP_WTCD_6":"1381219.211","SP_WTHFD_1":"1290594.743","SP_WTHFD_2":"1035578.662","SP_WTHFD_3":"1299136.056","SP_WTHFD_4":"1479248.71","SP_WTHFD_5":"1282021.933","SP_WTHFD_6":"1556242.727"},{"Metabolite":"Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfide","SP_HetCD_1":"315386.9052","SP_HetCD_2":"304443.1871","SP_HetCD_3":"604173.3083","SP_HetCD_4":"1467021.086","SP_HetCD_5":"682778.3787","SP_HetCD_6":"862898.9747","SP_HetHFD_1":"560429.1267","SP_HetHFD_2":"881803.2465","SP_HetHFD_3":"1613111.729","SP_HetHFD_4":"2094647.645","SP_HetHFD_5":"928188.0188","SP_HetHFD_6":"1295079.568","SP_WTCD_1":"648699.3434","SP_WTCD_2":"165750.1714","SP_WTCD_3":"261149.7629","SP_WTCD_4":"226824.0444","SP_WTCD_5":"1457847.172","SP_WTCD_6":"968183.8568","SP_WTHFD_1":"1121407.203","SP_WTHFD_2":"827314.8731","SP_WTHFD_3":"1051357.28","SP_WTHFD_4":"482475.3661","SP_WTHFD_5":"719262.5372","SP_WTHFD_6":"1251690.58"},{"Metabolite":"Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2,4,5-Trimethyl-1,3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2,2,4-Trimethyl-1,3-dioxolane","SP_HetCD_1":"938343.7331","SP_HetCD_2":"1187265.613","SP_HetCD_3":"2067474.351","SP_HetCD_4":"832582.4199","SP_HetCD_5":"1722051.735","SP_HetCD_6":"1309149.341","SP_HetHFD_1":"1015615.955","SP_HetHFD_2":"1787138.474","SP_HetHFD_3":"1378572.14","SP_HetHFD_4":"1057676.821","SP_HetHFD_5":"1134069.633","SP_HetHFD_6":"1032999.822","SP_WTCD_1":"2061104.251","SP_WTCD_2":"1175230.098","SP_WTCD_3":"1324802.79","SP_WTCD_4":"1269283.764","SP_WTCD_5":"969161.52","SP_WTCD_6":"1225587.943","SP_WTHFD_1":"1130682.947","SP_WTHFD_2":"1484402.36","SP_WTHFD_3":"1223258.18","SP_WTHFD_4":"1068447.125","SP_WTHFD_5":"1645511.921","SP_WTHFD_6":"1128272.241"},{"Metabolite":"4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2,4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2,6,6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4,6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3,4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactone","SP_HetCD_1":"1961137.441","SP_HetCD_2":"2058055.903","SP_HetCD_3":"577960.0778","SP_HetCD_4":"464339.4403","SP_HetCD_5":"534507.894","SP_HetCD_6":"491629.4094","SP_HetHFD_1":"580090.5587","SP_HetHFD_2":"568605.6882","SP_HetHFD_3":"674950.1596","SP_HetHFD_4":"659455.9224","SP_HetHFD_5":"753838.8759","SP_HetHFD_6":"528309.5397","SP_WTCD_1":"543589.7326","SP_WTCD_2":"1452240.877","SP_WTCD_3":"1768281.57","SP_WTCD_4":"1732603.149","SP_WTCD_5":"620924.4132","SP_WTCD_6":"458788.0625","SP_WTHFD_1":"639268.8911","SP_WTHFD_2":"791104.8644","SP_WTHFD_3":"553516.5009","SP_WTHFD_4":"553218.968","SP_WTHFD_5":"716985.2438","SP_WTHFD_6":"537891.6678"},{"Metabolite":"1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2,3,4,5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucose","SP_HetCD_1":"1449471.823","SP_HetCD_2":"1536713.039","SP_HetCD_3":"1996268.868","SP_HetCD_4":"1679155.873","SP_HetCD_5":"1828339.109","SP_HetCD_6":"1909175.826","SP_HetHFD_1":"1239869.674","SP_HetHFD_2":"1189349.888","SP_HetHFD_3":"1342416.676","SP_HetHFD_4":"1107823.563","SP_HetHFD_5":"1063537.802","SP_HetHFD_6":"1321071.903","SP_WTCD_1":"1681954.213","SP_WTCD_2":"1959243","SP_WTCD_3":"1778599.209","SP_WTCD_4":"1729698.375","SP_WTCD_5":"1637274.208","SP_WTCD_6":"1789706.32","SP_WTHFD_1":"997987.4942","SP_WTHFD_2":"947548.5043","SP_WTHFD_3":"868956.6399","SP_WTHFD_4":"1102370.553","SP_WTHFD_5":"764781.2994","SP_WTHFD_6":"975397.1594"},{"Metabolite":"2,4-Dodecadienoic acid pyrrolidide","SP_HetCD_1":"227209.5685","SP_HetCD_2":"135314.4759","SP_HetCD_3":"662186.6437","SP_HetCD_4":"1581430.932","SP_HetCD_5":"487785.277","SP_HetCD_6":"382072.8698","SP_HetHFD_1":"455193.0979","SP_HetHFD_2":"540244.0454","SP_HetHFD_3":"799213.703","SP_HetHFD_4":"1067581.071","SP_HetHFD_5":"1961362.54","SP_HetHFD_6":"89404.06695","SP_WTCD_1":"210063.3928","SP_WTCD_2":"358547.1523","SP_WTCD_3":"144126.7695","SP_WTCD_4":"394311.8497","SP_WTCD_5":"282103.097","SP_WTCD_6":"149794.3178","SP_WTHFD_1":"96781.26536","SP_WTHFD_2":"416671.2571","SP_WTHFD_3":"172799.5979","SP_WTHFD_4":"323674.0159","SP_WTHFD_5":"157327.0153","SP_WTHFD_6":"778876.1416"},{"Metabolite":"Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine","SP_HetCD_1":"1547341.261","SP_HetCD_2":"1756179.25","SP_HetCD_3":"1917853.722","SP_HetCD_4":"1537403.886","SP_HetCD_5":"897048.4241","SP_HetCD_6":"857871.1297","SP_HetHFD_1":"868116.709","SP_HetHFD_2":"707081.8016","SP_HetHFD_3":"637463.442","SP_HetHFD_4":"573210.2327","SP_HetHFD_5":"495259.3859","SP_HetHFD_6":"841844.8097","SP_WTCD_1":"1811648.7","SP_WTCD_2":"1953289.069","SP_WTCD_3":"866505.7876","SP_WTCD_4":"458064.3649","SP_WTCD_5":"1406565.068","SP_WTCD_6":"1572938.216","SP_WTHFD_1":"571359.6752","SP_WTHFD_2":"459602.8658","SP_WTHFD_3":"706665.9636","SP_WTHFD_4":"648558.4588","SP_WTHFD_5":"687024.4118","SP_WTHFD_6":"795161.4713"},{"Metabolite":"Methoxamine;Orciprenaline;Isoproterenol","SP_HetCD_1":"1251255.847","SP_HetCD_2":"1077948.51","SP_HetCD_3":"1425798.331","SP_HetCD_4":"1372971.213","SP_HetCD_5":"1480936.618","SP_HetCD_6":"1951022.159","SP_HetHFD_1":"1143206.212","SP_HetHFD_2":"1131603.299","SP_HetHFD_3":"1030342.504","SP_HetHFD_4":"1152900.709","SP_HetHFD_5":"1380477.101","SP_HetHFD_6":"1168525.207","SP_WTCD_1":"1293316.675","SP_WTCD_2":"1231371.523","SP_WTCD_3":"1151981.857","SP_WTCD_4":"1516854.989","SP_WTCD_5":"920506.3379","SP_WTCD_6":"937237.3976","SP_WTHFD_1":"820315.4715","SP_WTHFD_2":"1275535.83","SP_WTHFD_3":"768247.5082","SP_WTHFD_4":"910866.2772","SP_WTHFD_5":"1120460.593","SP_WTHFD_6":"1157717.701"},{"Metabolite":"Homoarecoline","SP_HetCD_1":"1911901.311","SP_HetCD_2":"1928009.48","SP_HetCD_3":"1142924.199","SP_HetCD_4":"923754.6226","SP_HetCD_5":"988485.3488","SP_HetCD_6":"1014289.061","SP_HetHFD_1":"1166425.076","SP_HetHFD_2":"1089177.599","SP_HetHFD_3":"1295160.029","SP_HetHFD_4":"1165654.071","SP_HetHFD_5":"1481277.809","SP_HetHFD_6":"872671.6901","SP_WTCD_1":"866255.3853","SP_WTCD_2":"1402082.968","SP_WTCD_3":"1645927.709","SP_WTCD_4":"1627018.443","SP_WTCD_5":"1170103.343","SP_WTCD_6":"900554.3125","SP_WTHFD_1":"1016248.686","SP_WTHFD_2":"1260242.351","SP_WTHFD_3":"1005526.51","SP_WTHFD_4":"942075.7678","SP_WTHFD_5":"861028.05","SP_WTHFD_6":"1059906.17"},{"Metabolite":"D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde","SP_HetCD_1":"941918.6116","SP_HetCD_2":"683707.4848","SP_HetCD_3":"1117324.715","SP_HetCD_4":"1099741.023","SP_HetCD_5":"863250.4521","SP_HetCD_6":"943844.6632","SP_HetHFD_1":"1196845.718","SP_HetHFD_2":"1346190.698","SP_HetHFD_3":"1076021.614","SP_HetHFD_4":"1901420.921","SP_HetHFD_5":"1851764.463","SP_HetHFD_6":"1097707.784","SP_WTCD_1":"779405.7064","SP_WTCD_2":"1041747.784","SP_WTCD_3":"848461.1368","SP_WTCD_4":"684369.3628","SP_WTCD_5":"1040386.671","SP_WTCD_6":"1216752.597","SP_WTHFD_1":"818123.2138","SP_WTHFD_2":"639787.8049","SP_WTHFD_3":"737034.9297","SP_WTHFD_4":"885550.9367","SP_WTHFD_5":"756631.8131","SP_WTHFD_6":"982697.168"},{"Metabolite":"Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2,6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;Tyraminium","SP_HetCD_1":"1382820.145","SP_HetCD_2":"743575.0021","SP_HetCD_3":"1216192.441","SP_HetCD_4":"1895739.521","SP_HetCD_5":"1287113.195","SP_HetCD_6":"1143811.085","SP_HetHFD_1":"1138276.506","SP_HetHFD_2":"643697.3707","SP_HetHFD_3":"991836.3701","SP_HetHFD_4":"664124.3179","SP_HetHFD_5":"1123537.018","SP_HetHFD_6":"1248897.24","SP_WTCD_1":"1608683.859","SP_WTCD_2":"1403375.14","SP_WTCD_3":"1743084.795","SP_WTCD_4":"1059778.393","SP_WTCD_5":"852272.8691","SP_WTCD_6":"1215063.789","SP_WTHFD_1":"1149618.893","SP_WTHFD_2":"619107.9355","SP_WTHFD_3":"699304.2827","SP_WTHFD_4":"675331.1067","SP_WTHFD_5":"959993.4524","SP_WTHFD_6":"792102.6848"},{"Metabolite":"2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one","SP_HetCD_1":"87420.14995","SP_HetCD_2":"188693.5503","SP_HetCD_3":"599728.3446","SP_HetCD_4":"488674.3422","SP_HetCD_5":"219912.5202","SP_HetCD_6":"55966.78883","SP_HetHFD_1":"144967.516","SP_HetHFD_2":"111914.2235","SP_HetHFD_3":"108977.4934","SP_HetHFD_4":"24756.76666","SP_HetHFD_5":"25189.69054","SP_HetHFD_6":"127557.0514","SP_WTCD_1":"520658.8349","SP_WTCD_2":"991944.064","SP_WTCD_3":"669960.0996","SP_WTCD_4":"129888.8636","SP_WTCD_5":"1893476.764","SP_WTCD_6":"791062.4872","SP_WTHFD_1":"62235.42201","SP_WTHFD_2":"47290.24436","SP_WTHFD_3":"39115.24548","SP_WTHFD_4":"70775.40898","SP_WTHFD_5":"105546.4117","SP_WTHFD_6":"130013.5387"},{"Metabolite":"(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;Galactosylglycerol","SP_HetCD_1":"1892371.886","SP_HetCD_2":"1881183.172","SP_HetCD_3":"53378.10618","SP_HetCD_4":"18414.58569","SP_HetCD_5":"21159.37451","SP_HetCD_6":"19096.13061","SP_HetHFD_1":"32659.41875","SP_HetHFD_2":"8903.825591","SP_HetHFD_3":"24513.79922","SP_HetHFD_4":"52132.96546","SP_HetHFD_5":"23172.84106","SP_HetHFD_6":"34637.50808","SP_WTCD_1":"214319.8349","SP_WTCD_2":"287828.7433","SP_WTCD_3":"90083.01601","SP_WTCD_4":"89230.35667","SP_WTCD_5":"41832.22144","SP_WTCD_6":"26582.88083","SP_WTHFD_1":"6567.308392","SP_WTHFD_2":"47347.6052","SP_WTHFD_3":"11714.59688","SP_WTHFD_4":"11140.91565","SP_WTHFD_5":"12219.50086","SP_WTHFD_6":"41183.34944"},{"Metabolite":"3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid","SP_HetCD_1":"21676.34333","SP_HetCD_2":"21629.11957","SP_HetCD_3":"454635.1983","SP_HetCD_4":"1015405.881","SP_HetCD_5":"75175.14045","SP_HetCD_6":"55059.58993","SP_HetHFD_1":"34448.58767","SP_HetHFD_2":"3731.797964","SP_HetHFD_3":"117589.9594","SP_HetHFD_4":"495141.3664","SP_HetHFD_5":"19944.84824","SP_HetHFD_6":"26023.99473","SP_WTCD_1":"465728.0199","SP_WTCD_2":"84484.46078","SP_WTCD_3":"11201.09312","SP_WTCD_4":"28213.00513","SP_WTCD_5":"197481.2846","SP_WTCD_6":"1866393.801","SP_WTHFD_1":"71799.77614","SP_WTHFD_2":"6902.949629","SP_WTHFD_3":"103478.2007","SP_WTHFD_4":"18203.18929","SP_WTHFD_5":"8078.43462","SP_WTHFD_6":"43682.85405"},{"Metabolite":"9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid;5,8,12-Trihydroxy-9-octadecenoic acid;9,12,13-TriHOME","SP_HetCD_1":"17736.31846","SP_HetCD_2":"17184.74631","SP_HetCD_3":"40830.64415","SP_HetCD_4":"24541.8332","SP_HetCD_5":"34022.08897","SP_HetCD_6":"17103.77725","SP_HetHFD_1":"215151.291","SP_HetHFD_2":"169745.1529","SP_HetHFD_3":"37288.83266","SP_HetHFD_4":"1865067.758","SP_HetHFD_5":"1319237.18","SP_HetHFD_6":"330002.2981","SP_WTCD_1":"21851.96499","SP_WTCD_2":"9359.537834","SP_WTCD_3":"9254.490148","SP_WTCD_4":"13710.91078","SP_WTCD_5":"7549.832433","SP_WTCD_6":"23948.66636","SP_WTHFD_1":"60814.05673","SP_WTHFD_2":"77977.09065","SP_WTHFD_3":"37505.09407","SP_WTHFD_4":"39068.8357","SP_WTHFD_5":"14368.99099","SP_WTHFD_6":"57209.24481"},{"Metabolite":"Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninate","SP_HetCD_1":"347850.5425","SP_HetCD_2":"211347.5311","SP_HetCD_3":"813748.9985","SP_HetCD_4":"490486.3125","SP_HetCD_5":"657951.3607","SP_HetCD_6":"520476.4052","SP_HetHFD_1":"607036.2563","SP_HetHFD_2":"638695.4181","SP_HetHFD_3":"725693.6805","SP_HetHFD_4":"743216.9168","SP_HetHFD_5":"492847.1252","SP_HetHFD_6":"455342.3493","SP_WTCD_1":"1861718.581","SP_WTCD_2":"511373.8733","SP_WTCD_3":"258746.7811","SP_WTCD_4":"340870.4581","SP_WTCD_5":"1228144.067","SP_WTCD_6":"717723.865","SP_WTHFD_1":"1197881.602","SP_WTHFD_2":"395555.7656","SP_WTHFD_3":"923472.7715","SP_WTHFD_4":"998891.4448","SP_WTHFD_5":"890678.8117","SP_WTHFD_6":"905309.7154"},{"Metabolite":"trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-)","SP_HetCD_1":"470572.5866","SP_HetCD_2":"252132.2191","SP_HetCD_3":"270232.5613","SP_HetCD_4":"259737.5962","SP_HetCD_5":"262690.4977","SP_HetCD_6":"220678.7941","SP_HetHFD_1":"359380.2313","SP_HetHFD_2":"462675.4113","SP_HetHFD_3":"264331.1868","SP_HetHFD_4":"663974.0465","SP_HetHFD_5":"475424.8778","SP_HetHFD_6":"393744.125","SP_WTCD_1":"1842033.961","SP_WTCD_2":"313085.0283","SP_WTCD_3":"222423.7218","SP_WTCD_4":"352905.1165","SP_WTCD_5":"455822.7689","SP_WTCD_6":"201520.3889","SP_WTHFD_1":"272500.4747","SP_WTHFD_2":"275431.1197","SP_WTHFD_3":"388866.5774","SP_WTHFD_4":"338563.2053","SP_WTHFD_5":"282718.5035","SP_WTHFD_6":"381520.0848"},{"Metabolite":"Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic 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acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoate","SP_HetCD_1":"642163.536","SP_HetCD_2":"381860.6906","SP_HetCD_3":"1305638.4","SP_HetCD_4":"979531.7958","SP_HetCD_5":"335762.6065","SP_HetCD_6":"192161.7873","SP_HetHFD_1":"892088.1182","SP_HetHFD_2":"185480.5607","SP_HetHFD_3":"195607.944","SP_HetHFD_4":"320940.5576","SP_HetHFD_5":"434649.9082","SP_HetHFD_6":"283120.3317","SP_WTCD_1":"637338.7508","SP_WTCD_2":"1685641.026","SP_WTCD_3":"771627.6985","SP_WTCD_4":"154925.9033","SP_WTCD_5":"464858.7989","SP_WTCD_6":"1820548.003","SP_WTHFD_1":"239433.0706","SP_WTHFD_2":"79916.41561","SP_WTHFD_3":"188665.1759","SP_WTHFD_4":"192164.1337","SP_WTHFD_5":"119910.719","SP_WTHFD_6":"342585.0427"},{"Metabolite":"6-Epi-7-isocucurbic acid glucoside","SP_HetCD_1":"1723608.597","SP_HetCD_2":"1819331.546","SP_HetCD_3":"581192.9769","SP_HetCD_4":"542299.0614","SP_HetCD_5":"379720.173","SP_HetCD_6":"483287.5809","SP_HetHFD_1":"455442.1615","SP_HetHFD_2":"431813.8816","SP_HetHFD_3":"519547.2338","SP_HetHFD_4":"472731.8828","SP_HetHFD_5":"376097.729","SP_HetHFD_6":"482108.3233","SP_WTCD_1":"367102.4825","SP_WTCD_2":"807308.1413","SP_WTCD_3":"1041538.212","SP_WTCD_4":"972178.677","SP_WTCD_5":"429286.8621","SP_WTCD_6":"292909.3422","SP_WTHFD_1":"272943.3117","SP_WTHFD_2":"294212.3352","SP_WTHFD_3":"349024.3878","SP_WTHFD_4":"316976.7508","SP_WTHFD_5":"205031.0265","SP_WTHFD_6":"254022.337"},{"Metabolite":"Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E,6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrate","SP_HetCD_1":"355989.5348","SP_HetCD_2":"611607.0464","SP_HetCD_3":"1379138.082","SP_HetCD_4":"452825.8409","SP_HetCD_5":"1223657.371","SP_HetCD_6":"977909.5425","SP_HetHFD_1":"862847.9297","SP_HetHFD_2":"1100073.799","SP_HetHFD_3":"1715456.037","SP_HetHFD_4":"183466.7813","SP_HetHFD_5":"311958.4291","SP_HetHFD_6":"1816314.258","SP_WTCD_1":"357051.6569","SP_WTCD_2":"312740.0146","SP_WTCD_3":"302389.5122","SP_WTCD_4":"488930.0658","SP_WTCD_5":"344824.788","SP_WTCD_6":"615103.1086","SP_WTHFD_1":"803351.8337","SP_WTHFD_2":"489019.675","SP_WTHFD_3":"546317.4331","SP_WTHFD_4":"1089567.811","SP_WTHFD_5":"431212.7672","SP_WTHFD_6":"606885.839"},{"Metabolite":"Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylate","SP_HetCD_1":"1719218.147","SP_HetCD_2":"1814199.186","SP_HetCD_3":"564955.054","SP_HetCD_4":"487265.3689","SP_HetCD_5":"543353.1094","SP_HetCD_6":"487375.8978","SP_HetHFD_1":"546698.2967","SP_HetHFD_2":"598210.701","SP_HetHFD_3":"642926.7755","SP_HetHFD_4":"512603.1639","SP_HetHFD_5":"758349.0625","SP_HetHFD_6":"386712.6252","SP_WTCD_1":"437327.6322","SP_WTCD_2":"1376637.783","SP_WTCD_3":"1564026.006","SP_WTCD_4":"1381376.661","SP_WTCD_5":"551572.0221","SP_WTCD_6":"455322.1999","SP_WTHFD_1":"562151.5545","SP_WTHFD_2":"623171.3113","SP_WTHFD_3":"534672.7861","SP_WTHFD_4":"475261.4249","SP_WTHFD_5":"455372.3269","SP_WTHFD_6":"564255.0088"},{"Metabolite":"2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine","SP_HetCD_1":"1367804.895","SP_HetCD_2":"1052220.252","SP_HetCD_3":"1276052.795","SP_HetCD_4":"1405795.377","SP_HetCD_5":"1400322.575","SP_HetCD_6":"1789831.908","SP_HetHFD_1":"1168115.3","SP_HetHFD_2":"1048126.187","SP_HetHFD_3":"650563.1834","SP_HetHFD_4":"671842.9473","SP_HetHFD_5":"818463.8992","SP_HetHFD_6":"726212.4903","SP_WTCD_1":"1213342.767","SP_WTCD_2":"1065462.855","SP_WTCD_3":"1073011.155","SP_WTCD_4":"1417274.915","SP_WTCD_5":"874195.1939","SP_WTCD_6":"908604.7483","SP_WTHFD_1":"463767.5196","SP_WTHFD_2":"688874.6327","SP_WTHFD_3":"443097.2532","SP_WTHFD_4":"495871.2868","SP_WTHFD_5":"611133.9442","SP_WTHFD_6":"653241.2891"},{"Metabolite":"Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate","SP_HetCD_1":"1750629.696","SP_HetCD_2":"1782145.775","SP_HetCD_3":"489846.49","SP_HetCD_4":"387971.3508","SP_HetCD_5":"464190.8591","SP_HetCD_6":"423409.4766","SP_HetHFD_1":"530532.7322","SP_HetHFD_2":"462086.1221","SP_HetHFD_3":"604321.7733","SP_HetHFD_4":"488753.4901","SP_HetHFD_5":"580821.1065","SP_HetHFD_6":"346599.0188","SP_WTCD_1":"396025.179","SP_WTCD_2":"1260158.491","SP_WTCD_3":"1409927.802","SP_WTCD_4":"1316760.021","SP_WTCD_5":"463962.5354","SP_WTCD_6":"381254.4645","SP_WTHFD_1":"497932.5856","SP_WTHFD_2":"417628.0815","SP_WTHFD_3":"419958.9158","SP_WTHFD_4":"441348.4367","SP_WTHFD_5":"351724.0917","SP_WTHFD_6":"419595.2432"},{"Metabolite":"Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolide","SP_HetCD_1":"286311.0456","SP_HetCD_2":"619051.0409","SP_HetCD_3":"686212.2247","SP_HetCD_4":"169834.1082","SP_HetCD_5":"752041.1646","SP_HetCD_6":"734086.5893","SP_HetHFD_1":"624441.1991","SP_HetHFD_2":"1205237.352","SP_HetHFD_3":"1780522.642","SP_HetHFD_4":"49814.41687","SP_HetHFD_5":"123075.4623","SP_HetHFD_6":"1405434.398","SP_WTCD_1":"220361.198","SP_WTCD_2":"584575.4445","SP_WTCD_3":"882337.5597","SP_WTCD_4":"739465.5137","SP_WTCD_5":"433237.4567","SP_WTCD_6":"724604.9626","SP_WTHFD_1":"525245.025","SP_WTHFD_2":"455317.4914","SP_WTHFD_3":"263764.6623","SP_WTHFD_4":"779240.2167","SP_WTHFD_5":"350628.7095","SP_WTHFD_6":"295382.0337"},{"Metabolite":"1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanediol diacetate;Menthyl ethylene glycol carbonate","SP_HetCD_1":"1754161.637","SP_HetCD_2":"1744161.43","SP_HetCD_3":"379396.0738","SP_HetCD_4":"327950.4678","SP_HetCD_5":"342600.2131","SP_HetCD_6":"359882.1564","SP_HetHFD_1":"400752.102","SP_HetHFD_2":"418275.0208","SP_HetHFD_3":"454438.4869","SP_HetHFD_4":"470009.1637","SP_HetHFD_5":"744811.9414","SP_HetHFD_6":"302989.8302","SP_WTCD_1":"296773.1041","SP_WTCD_2":"1310089.257","SP_WTCD_3":"1568666.051","SP_WTCD_4":"1381940.496","SP_WTCD_5":"382631.142","SP_WTCD_6":"305907.5534","SP_WTHFD_1":"380637.8093","SP_WTHFD_2":"453377.7656","SP_WTHFD_3":"329983.7601","SP_WTHFD_4":"314317.6607","SP_WTHFD_5":"287538.5585","SP_WTHFD_6":"364942.6882"},{"Metabolite":"D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid","SP_HetCD_1":"296115.7081","SP_HetCD_2":"328549.7245","SP_HetCD_3":"445809.1024","SP_HetCD_4":"306640.4043","SP_HetCD_5":"450041.7676","SP_HetCD_6":"389120.3709","SP_HetHFD_1":"1739265.945","SP_HetHFD_2":"914506.7187","SP_HetHFD_3":"774116.5796","SP_HetHFD_4":"408132.355","SP_HetHFD_5":"304265.4303","SP_HetHFD_6":"704980.1593","SP_WTCD_1":"566185.3742","SP_WTCD_2":"421054.1409","SP_WTCD_3":"329706.7598","SP_WTCD_4":"576395.1155","SP_WTCD_5":"622241.0106","SP_WTCD_6":"558393.8666","SP_WTHFD_1":"1447618.233","SP_WTHFD_2":"778982.9438","SP_WTHFD_3":"1065457.719","SP_WTHFD_4":"1055461.361","SP_WTHFD_5":"580314.3539","SP_WTHFD_6":"1089505.555"},{"Metabolite":"Saccharopine;L-saccharopinate(1-)","SP_HetCD_1":"730858.9669","SP_HetCD_2":"105459.1775","SP_HetCD_3":"353120.4943","SP_HetCD_4":"328516.48","SP_HetCD_5":"92703.43388","SP_HetCD_6":"22241.57957","SP_HetHFD_1":"163317.8399","SP_HetHFD_2":"86078.8208","SP_HetHFD_3":"42042.55922","SP_HetHFD_4":"45123.41444","SP_HetHFD_5":"32770.36269","SP_HetHFD_6":"103775.912","SP_WTCD_1":"1734726.31","SP_WTCD_2":"331733.4735","SP_WTCD_3":"232112.6768","SP_WTCD_4":"33918.72578","SP_WTCD_5":"956187.6875","SP_WTCD_6":"499528.7718","SP_WTHFD_1":"76511.29692","SP_WTHFD_2":"36035.0533","SP_WTHFD_3":"76255.61717","SP_WTHFD_4":"69713.14063","SP_WTHFD_5":"49735.50143","SP_WTHFD_6":"108799.0017"},{"Metabolite":"3,4-Methylenesebacic acid;Allixin","SP_HetCD_1":"1725560.309","SP_HetCD_2":"1713907.025","SP_HetCD_3":"577456.7139","SP_HetCD_4":"477284.8493","SP_HetCD_5":"534127.7624","SP_HetCD_6":"483014.2779","SP_HetHFD_1":"569438.9986","SP_HetHFD_2":"588677.5462","SP_HetHFD_3":"600280.5065","SP_HetHFD_4":"787125.5618","SP_HetHFD_5":"763250.4413","SP_HetHFD_6":"479425.7705","SP_WTCD_1":"461882.027","SP_WTCD_2":"1181737.522","SP_WTCD_3":"1221296.817","SP_WTCD_4":"1203567.988","SP_WTCD_5":"545872.4288","SP_WTCD_6":"421877.151","SP_WTHFD_1":"452753.169","SP_WTHFD_2":"480895.6601","SP_WTHFD_3":"502367.0886","SP_WTHFD_4":"410032.8527","SP_WTHFD_5":"346148.2184","SP_WTHFD_6":"489941.0515"},{"Metabolite":"{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic 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1-xyloside","SP_HetCD_1":"175134.2935","SP_HetCD_2":"101078.0599","SP_HetCD_3":"909673.9829","SP_HetCD_4":"874045.3709","SP_HetCD_5":"247094.3824","SP_HetCD_6":"164301.8954","SP_HetHFD_1":"575610.751","SP_HetHFD_2":"413151.6177","SP_HetHFD_3":"582468.7625","SP_HetHFD_4":"1517826.58","SP_HetHFD_5":"841805.5338","SP_HetHFD_6":"222672.7037","SP_WTCD_1":"733560.3686","SP_WTCD_2":"839222.8848","SP_WTCD_3":"638779.9529","SP_WTCD_4":"139443.6047","SP_WTCD_5":"1163367.753","SP_WTCD_6":"1631824.554","SP_WTHFD_1":"403418.0525","SP_WTHFD_2":"148378.687","SP_WTHFD_3":"172044.5618","SP_WTHFD_4":"386147.951","SP_WTHFD_5":"120736.9701","SP_WTHFD_6":"400948.051"},{"Metabolite":"Urate radical","SP_HetCD_1":"821564.5607","SP_HetCD_2":"1070338.14","SP_HetCD_3":"1191159.33","SP_HetCD_4":"1142211.097","SP_HetCD_5":"1086812.824","SP_HetCD_6":"1416149.084","SP_HetHFD_1":"1589355.607","SP_HetHFD_2":"1171062.033","SP_HetHFD_3":"1398533.888","SP_HetHFD_4":"438494.4089","SP_HetHFD_5":"1015340.884","SP_HetHFD_6":"1469746.007","SP_WTCD_1":"1124275.131","SP_WTCD_2":"929509.7945","SP_WTCD_3":"1025436.634","SP_WTCD_4":"1144787.742","SP_WTCD_5":"1170654.384","SP_WTCD_6":"1244962.499","SP_WTHFD_1":"1169060.53","SP_WTHFD_2":"1467550.528","SP_WTHFD_3":"1428778.207","SP_WTHFD_4":"1308501.072","SP_WTHFD_5":"1062115.388","SP_WTHFD_6":"1159414.032"},{"Metabolite":"N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine","SP_HetCD_1":"1583564.867","SP_HetCD_2":"997271.5335","SP_HetCD_3":"1176208.506","SP_HetCD_4":"1158140.508","SP_HetCD_5":"1092592.437","SP_HetCD_6":"1064713.315","SP_HetHFD_1":"1195408.161","SP_HetHFD_2":"1392584.433","SP_HetHFD_3":"1408768.299","SP_HetHFD_4":"1373394.075","SP_HetHFD_5":"694575.8157","SP_HetHFD_6":"976386.3272","SP_WTCD_1":"1209128.561","SP_WTCD_2":"1220718.128","SP_WTCD_3":"553147.4398","SP_WTCD_4":"736677.2213","SP_WTCD_5":"1155525.531","SP_WTCD_6":"1040031.622","SP_WTHFD_1":"905274.5846","SP_WTHFD_2":"528120.0151","SP_WTHFD_3":"1099020.169","SP_WTHFD_4":"1158638.099","SP_WTHFD_5":"532924.0917","SP_WTHFD_6":"874540.5068"},{"Metabolite":"Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoate","SP_HetCD_1":"771348.7759","SP_HetCD_2":"982965.8187","SP_HetCD_3":"1557106.886","SP_HetCD_4":"876134.4342","SP_HetCD_5":"1189933.384","SP_HetCD_6":"1163304.355","SP_HetHFD_1":"908626.3273","SP_HetHFD_2":"1014499.79","SP_HetHFD_3":"1064331.844","SP_HetHFD_4":"678069.2355","SP_HetHFD_5":"981585.0917","SP_HetHFD_6":"803256.4746","SP_WTCD_1":"1394731.035","SP_WTCD_2":"897989.5954","SP_WTCD_3":"1031490.94","SP_WTCD_4":"881256.9068","SP_WTCD_5":"864522.4847","SP_WTCD_6":"933221.7424","SP_WTHFD_1":"865813.775","SP_WTHFD_2":"1172734.792","SP_WTHFD_3":"843784.9312","SP_WTHFD_4":"859670.2013","SP_WTHFD_5":"1009281.486","SP_WTHFD_6":"570886.1387"},{"Metabolite":"Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b,12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b,12a-Dihydroxy-5b-cholanoic acid;3a,12b-Dihydroxy-5b-cholanoic acid;7a,12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b,12a-Dihydroxycholanoic acid;3b,7a-Dihydroxy-5b-cholanoic acid;3a,7a-Dihydroxycholanoic acid;3b,12a-Dihydroxy-5a-cholanoic acid","SP_HetCD_1":"16909.77154","SP_HetCD_2":"16383.90373","SP_HetCD_3":"31518.57728","SP_HetCD_4":"11094.11899","SP_HetCD_5":"73033.99894","SP_HetCD_6":"27820.54874","SP_HetHFD_1":"105741.8451","SP_HetHFD_2":"124304.3027","SP_HetHFD_3":"170865.0111","SP_HetHFD_4":"26262.06811","SP_HetHFD_5":"38947.09239","SP_HetHFD_6":"1533915.386","SP_WTCD_1":"10777.021","SP_WTCD_2":"24182.06915","SP_WTCD_3":"12792.86109","SP_WTCD_4":"24824.09364","SP_WTCD_5":"67631.67355","SP_WTCD_6":"65573.00782","SP_WTHFD_1":"48549.1279","SP_WTHFD_2":"2153.304243","SP_WTHFD_3":"4990.666702","SP_WTHFD_4":"52589.06123","SP_WTHFD_5":"2062.124427","SP_WTHFD_6":"42894.26021"},{"Metabolite":"5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid","SP_HetCD_1":"1524258.749","SP_HetCD_2":"49422.06113","SP_HetCD_3":"465485.6989","SP_HetCD_4":"1076035.284","SP_HetCD_5":"32435.89075","SP_HetCD_6":"9029.973662","SP_HetHFD_1":"142466.8023","SP_HetHFD_2":"36703.89855","SP_HetHFD_3":"11274.85784","SP_HetHFD_4":"19751.74378","SP_HetHFD_5":"19381.13438","SP_HetHFD_6":"30343.70909","SP_WTCD_1":"438919.4241","SP_WTCD_2":"103450.3747","SP_WTCD_3":"109346.6419","SP_WTCD_4":"12061.57337","SP_WTCD_5":"213574.8731","SP_WTCD_6":"262388.3157","SP_WTHFD_1":"11890.57714","SP_WTHFD_2":"7817.993413","SP_WTHFD_3":"8804.163499","SP_WTHFD_4":"10099.28422","SP_WTHFD_5":"7647.207305","SP_WTHFD_6":"13565.4955"},{"Metabolite":"2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol;Phlorin;Glucosylisomaltol","SP_HetCD_1":"11718.98263","SP_HetCD_2":"10216.94748","SP_HetCD_3":"15348.28055","SP_HetCD_4":"14250.35993","SP_HetCD_5":"11828.83474","SP_HetCD_6":"10414.57402","SP_HetHFD_1":"11501.39124","SP_HetHFD_2":"10971.68098","SP_HetHFD_3":"11297.66579","SP_HetHFD_4":"1510276.284","SP_HetHFD_5":"190900.8326","SP_HetHFD_6":"15478.03051","SP_WTCD_1":"15413.56442","SP_WTCD_2":"13821.09931","SP_WTCD_3":"14212.58016","SP_WTCD_4":"10096.76194","SP_WTCD_5":"19393.42394","SP_WTCD_6":"17555.48257","SP_WTHFD_1":"11173.21171","SP_WTHFD_2":"9563.279448","SP_WTHFD_3":"10484.09385","SP_WTHFD_4":"11543.08995","SP_WTHFD_5":"11309.11053","SP_WTHFD_6":"10766.714"},{"Metabolite":"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate","SP_HetCD_1":"597170.8357","SP_HetCD_2":"207498.4072","SP_HetCD_3":"1150389.359","SP_HetCD_4":"766476.8496","SP_HetCD_5":"65892.65133","SP_HetCD_6":"478497.6207","SP_HetHFD_1":"342187.7722","SP_HetHFD_2":"277915.0073","SP_HetHFD_3":"9401.466386","SP_HetHFD_4":"86017.32922","SP_HetHFD_5":"62336.17008","SP_HetHFD_6":"127163.151","SP_WTCD_1":"1048313.192","SP_WTCD_2":"1030065.056","SP_WTCD_3":"791478.4822","SP_WTCD_4":"65943.68507","SP_WTCD_5":"1001792.813","SP_WTCD_6":"1485691.404","SP_WTHFD_1":"58752.41869","SP_WTHFD_2":"5559.956936","SP_WTHFD_3":"8613.843094","SP_WTHFD_4":"24453.40095","SP_WTHFD_5":"511299.5946","SP_WTHFD_6":"95797.10471"},{"Metabolite":"5S,6S-epoxy-15R-hydroxy-ETE","SP_HetCD_1":"249640.0695","SP_HetCD_2":"229928.0825","SP_HetCD_3":"1457081.685","SP_HetCD_4":"974258.0001","SP_HetCD_5":"712266.6213","SP_HetCD_6":"1115874.382","SP_HetHFD_1":"319131.3269","SP_HetHFD_2":"630754.2985","SP_HetHFD_3":"547635.5881","SP_HetHFD_4":"342610.721","SP_HetHFD_5":"1075228.09","SP_HetHFD_6":"332917.403","SP_WTCD_1":"478898.0203","SP_WTCD_2":"225997.6058","SP_WTCD_3":"230104.7533","SP_WTCD_4":"207525.6298","SP_WTCD_5":"364152.9497","SP_WTCD_6":"704843.7855","SP_WTHFD_1":"364830.2625","SP_WTHFD_2":"592366.0918","SP_WTHFD_3":"289720.5007","SP_WTHFD_4":"259633.8109","SP_WTHFD_5":"464099.3363","SP_WTHFD_6":"337007.2847"},{"Metabolite":"N2,N2-Dimethylguanosine;1,7-Dimethylguanosine","SP_HetCD_1":"782197.882","SP_HetCD_2":"595012.7776","SP_HetCD_3":"1107406.067","SP_HetCD_4":"673698.2142","SP_HetCD_5":"701598.7011","SP_HetCD_6":"618389.4938","SP_HetHFD_1":"729882.684","SP_HetHFD_2":"716095.0216","SP_HetHFD_3":"871063.3576","SP_HetHFD_4":"1121696.823","SP_HetHFD_5":"942996.0662","SP_HetHFD_6":"721096.7435","SP_WTCD_1":"1132792.995","SP_WTCD_2":"837388.13","SP_WTCD_3":"1456970.574","SP_WTCD_4":"1142028.651","SP_WTCD_5":"1097739.457","SP_WTCD_6":"975068.5157","SP_WTHFD_1":"839205.4394","SP_WTHFD_2":"703565.9677","SP_WTHFD_3":"545035.6283","SP_WTHFD_4":"736631.21","SP_WTHFD_5":"997212.0355","SP_WTHFD_6":"797901.5798"},{"Metabolite":"Cysteine-S-sulfate","SP_HetCD_1":"75053.93306","SP_HetCD_2":"39545.14499","SP_HetCD_3":"7320.564019","SP_HetCD_4":"29516.52694","SP_HetCD_5":"679668.492","SP_HetCD_6":"461675.014","SP_HetHFD_1":"65954.00813","SP_HetHFD_2":"312613.8365","SP_HetHFD_3":"249917.9301","SP_HetHFD_4":"406355.3868","SP_HetHFD_5":"1446181.358","SP_HetHFD_6":"815370.6393","SP_WTCD_1":"4556.472185","SP_WTCD_2":"3691.5734","SP_WTCD_3":"3337.828959","SP_WTCD_4":"222238.5504","SP_WTCD_5":"3356.72434","SP_WTCD_6":"3106.651551","SP_WTHFD_1":"131220.7809","SP_WTHFD_2":"584935.7649","SP_WTHFD_3":"73707.79644","SP_WTHFD_4":"188553.6017","SP_WTHFD_5":"77902.49082","SP_WTHFD_6":"356686.4057"},{"Metabolite":"Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3,4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2'-Hydroxy-5'-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2'-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1,2-diol;4'-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3'-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenone","SP_HetCD_1":"1209800.353","SP_HetCD_2":"1402064.869","SP_HetCD_3":"959425.8416","SP_HetCD_4":"723364.3164","SP_HetCD_5":"783889.985","SP_HetCD_6":"737172.3417","SP_HetHFD_1":"797401.1107","SP_HetHFD_2":"759473.5807","SP_HetHFD_3":"787320.6937","SP_HetHFD_4":"788203.5589","SP_HetHFD_5":"1162841.224","SP_HetHFD_6":"565633.5986","SP_WTCD_1":"658352.7232","SP_WTCD_2":"1044398.037","SP_WTCD_3":"1071099.297","SP_WTCD_4":"1067261.362","SP_WTCD_5":"738759.1276","SP_WTCD_6":"551272.2989","SP_WTHFD_1":"574876.4591","SP_WTHFD_2":"741378.7745","SP_WTHFD_3":"623172.2416","SP_WTHFD_4":"543317.4156","SP_WTHFD_5":"536528.4316","SP_WTHFD_6":"708850.6372"},{"Metabolite":"Methylphosphate","SP_HetCD_1":"236645.7285","SP_HetCD_2":"56597.95251","SP_HetCD_3":"937279.4742","SP_HetCD_4":"536862.0391","SP_HetCD_5":"101719.7654","SP_HetCD_6":"2423.361193","SP_HetHFD_1":"114806.5107","SP_HetHFD_2":"16767.84427","SP_HetHFD_3":"16507.91981","SP_HetHFD_4":"61390.93627","SP_HetHFD_5":"14632.30695","SP_HetHFD_6":"151223.8112","SP_WTCD_1":"886247.6429","SP_WTCD_2":"968612.2545","SP_WTCD_3":"1032584.569","SP_WTCD_4":"4412.246167","SP_WTCD_5":"1394122.984","SP_WTCD_6":"1398261.729","SP_WTHFD_1":"69688.84936","SP_WTHFD_2":"2621.80919","SP_WTHFD_3":"22474.36019","SP_WTHFD_4":"29574.68051","SP_WTHFD_5":"103207.5483","SP_WTHFD_6":"136885.0332"},{"Metabolite":"Acetyl 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acetate;Neogrifolin;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol","SP_HetCD_1":"1832.499375","SP_HetCD_2":"2382.146286","SP_HetCD_3":"10619.33486","SP_HetCD_4":"2254.857421","SP_HetCD_5":"10425.0233","SP_HetCD_6":"25387.1152","SP_HetHFD_1":"34690.33395","SP_HetHFD_2":"192939.6645","SP_HetHFD_3":"1113981.644","SP_HetHFD_4":"6351.541198","SP_HetHFD_5":"14669.54993","SP_HetHFD_6":"21311.13314","SP_WTCD_1":"1952.587313","SP_WTCD_2":"1837.310165","SP_WTCD_3":"11889.8807","SP_WTCD_4":"2260.120523","SP_WTCD_5":"25220.44924","SP_WTCD_6":"9077.575426","SP_WTHFD_1":"25202.62178","SP_WTHFD_2":"8170.421213","SP_WTHFD_3":"3001.135474","SP_WTHFD_4":"83386.04522","SP_WTHFD_5":"35194.91692","SP_WTHFD_6":"12871.79959"},{"Metabolite":"Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenal","SP_HetCD_1":"91326.3751","SP_HetCD_2":"90330.73167","SP_HetCD_3":"181150.2189","SP_HetCD_4":"184748.6033","SP_HetCD_5":"192965.1935","SP_HetCD_6":"92935.04553","SP_HetHFD_1":"380699.9407","SP_HetHFD_2":"735950.5151","SP_HetHFD_3":"145129.5461","SP_HetHFD_4":"1113944.439","SP_HetHFD_5":"619065.2081","SP_HetHFD_6":"133813.8251","SP_WTCD_1":"148979.8311","SP_WTCD_2":"78841.81566","SP_WTCD_3":"72940.53852","SP_WTCD_4":"102144.7304","SP_WTCD_5":"75532.48019","SP_WTCD_6":"157907.7233","SP_WTHFD_1":"48977.53984","SP_WTHFD_2":"89967.0419","SP_WTHFD_3":"65781.41698","SP_WTHFD_4":"121015.5594","SP_WTHFD_5":"81691.1176","SP_WTHFD_6":"183945.3715"},{"Metabolite":"Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;Isovalerylalanine","SP_HetCD_1":"313456.184","SP_HetCD_2":"219238.1836","SP_HetCD_3":"541694.8713","SP_HetCD_4":"487547.6136","SP_HetCD_5":"488799.4511","SP_HetCD_6":"375870.1046","SP_HetHFD_1":"969103.4321","SP_HetHFD_2":"1112470.643","SP_HetHFD_3":"471350.8945","SP_HetHFD_4":"1028852.94","SP_HetHFD_5":"459714.6494","SP_HetHFD_6":"694250.9868","SP_WTCD_1":"357854.6021","SP_WTCD_2":"672725.3161","SP_WTCD_3":"556161.9136","SP_WTCD_4":"501283.0941","SP_WTCD_5":"540582.6799","SP_WTCD_6":"680155.3869","SP_WTHFD_1":"242504.1436","SP_WTHFD_2":"272890.3044","SP_WTHFD_3":"325344.6184","SP_WTHFD_4":"324950.8076","SP_WTHFD_5":"506668.5914","SP_WTHFD_6":"400653.5854"},{"Metabolite":"3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;2,6-Dimethyl-7-octene-2,3,6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic 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oxidized","SP_HetCD_1":"1104756.834","SP_HetCD_2":"1010229.02","SP_HetCD_3":"487421.3768","SP_HetCD_4":"410450.567","SP_HetCD_5":"444085.4537","SP_HetCD_6":"401276.0997","SP_HetHFD_1":"462825.1934","SP_HetHFD_2":"427996.5099","SP_HetHFD_3":"494241.0733","SP_HetHFD_4":"471624.9747","SP_HetHFD_5":"479672.7296","SP_HetHFD_6":"385899.3184","SP_WTCD_1":"367640.9992","SP_WTCD_2":"717626.3629","SP_WTCD_3":"713302.0617","SP_WTCD_4":"692370.8514","SP_WTCD_5":"454919.3345","SP_WTCD_6":"349604.6466","SP_WTHFD_1":"331324.0877","SP_WTHFD_2":"329799.8633","SP_WTHFD_3":"366115.2739","SP_WTHFD_4":"319683.9943","SP_WTHFD_5":"219993.5656","SP_WTHFD_6":"357454.1372"},{"Metabolite":"Pseudouridine","SP_HetCD_1":"790727.2286","SP_HetCD_2":"748490.6827","SP_HetCD_3":"994563.2605","SP_HetCD_4":"740444.2109","SP_HetCD_5":"736745.9223","SP_HetCD_6":"838343.6764","SP_HetHFD_1":"783519.9606","SP_HetHFD_2":"925846.1207","SP_HetHFD_3":"948074.9233","SP_HetHFD_4":"896985.1625","SP_HetHFD_5":"1090670.069","SP_HetHFD_6":"945600.7539","SP_WTCD_1":"515984.6284","SP_WTCD_2":"659427.1626","SP_WTCD_3":"523844.9179","SP_WTCD_4":"582253.6107","SP_WTCD_5":"793534.6304","SP_WTCD_6":"520255.8913","SP_WTHFD_1":"825042.1001","SP_WTHFD_2":"581623.3972","SP_WTHFD_3":"762648.9443","SP_WTHFD_4":"881207.7556","SP_WTHFD_5":"700437.8571","SP_WTHFD_6":"812844.3593"},{"Metabolite":"N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-Phenylacetamide","SP_HetCD_1":"420816.3548","SP_HetCD_2":"316411.6964","SP_HetCD_3":"537580.8709","SP_HetCD_4":"477658.6937","SP_HetCD_5":"450092.3044","SP_HetCD_6":"371425.7554","SP_HetHFD_1":"949762.6888","SP_HetHFD_2":"1009476.709","SP_HetHFD_3":"583027.3155","SP_HetHFD_4":"1008191.177","SP_HetHFD_5":"592132.2469","SP_HetHFD_6":"1089218.347","SP_WTCD_1":"535556.1295","SP_WTCD_2":"709199.0139","SP_WTCD_3":"680851.2569","SP_WTCD_4":"680467.9801","SP_WTCD_5":"839765.92","SP_WTCD_6":"522504.7394","SP_WTHFD_1":"443991.6004","SP_WTHFD_2":"538658.8063","SP_WTHFD_3":"374287.851","SP_WTHFD_4":"503891.0593","SP_WTHFD_5":"805136.3311","SP_WTHFD_6":"516833.6903"},{"Metabolite":"Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-one","SP_HetCD_1":"215695.5843","SP_HetCD_2":"182092.6243","SP_HetCD_3":"233628.7794","SP_HetCD_4":"190724.2698","SP_HetCD_5":"201760.8635","SP_HetCD_6":"246921.8215","SP_HetHFD_1":"291151.3104","SP_HetHFD_2":"250188.0554","SP_HetHFD_3":"321259.9905","SP_HetHFD_4":"1087459.445","SP_HetHFD_5":"430205.7497","SP_HetHFD_6":"303497.5262","SP_WTCD_1":"176461.8542","SP_WTCD_2":"162636.1248","SP_WTCD_3":"154140.5912","SP_WTCD_4":"181126.0136","SP_WTCD_5":"205615.7783","SP_WTCD_6":"157428.038","SP_WTHFD_1":"229995.0292","SP_WTHFD_2":"160803.3431","SP_WTHFD_3":"214070.64","SP_WTHFD_4":"264178.4565","SP_WTHFD_5":"174882.0157","SP_WTHFD_6":"251395.206"},{"Metabolite":"Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetate","SP_HetCD_1":"501433.652","SP_HetCD_2":"444870.6887","SP_HetCD_3":"1075682.94","SP_HetCD_4":"812599.8213","SP_HetCD_5":"554796.4089","SP_HetCD_6":"519498.5618","SP_HetHFD_1":"763538.5732","SP_HetHFD_2":"772916.427","SP_HetHFD_3":"746212.8878","SP_HetHFD_4":"1079255.499","SP_HetHFD_5":"689682.9459","SP_HetHFD_6":"633253.6135","SP_WTCD_1":"618867.0738","SP_WTCD_2":"932372.3759","SP_WTCD_3":"825716.0802","SP_WTCD_4":"550110.0406","SP_WTCD_5":"927470.7549","SP_WTCD_6":"991786.8342","SP_WTHFD_1":"672524.3917","SP_WTHFD_2":"623088.1553","SP_WTHFD_3":"705595.2305","SP_WTHFD_4":"735523.1327","SP_WTHFD_5":"699565.1883","SP_WTHFD_6":"670162.7932"},{"Metabolite":"N-Glycolylneuraminic acid;NeuNGc","SP_HetCD_1":"384174.1263","SP_HetCD_2":"132122.0287","SP_HetCD_3":"656645.6681","SP_HetCD_4":"718925.1709","SP_HetCD_5":"276891.9347","SP_HetCD_6":"102588.7892","SP_HetHFD_1":"296816.2612","SP_HetHFD_2":"163663.9477","SP_HetHFD_3":"292372.871","SP_HetHFD_4":"967130.8789","SP_HetHFD_5":"1011808.652","SP_HetHFD_6":"297631.5498","SP_WTCD_1":"821333.8561","SP_WTCD_2":"429461.0278","SP_WTCD_3":"466852.6249","SP_WTCD_4":"240284.0543","SP_WTCD_5":"1077503.727","SP_WTCD_6":"843239.4221","SP_WTHFD_1":"225710.6548","SP_WTHFD_2":"148352.5894","SP_WTHFD_3":"204608.1014","SP_WTHFD_4":"233813.9179","SP_WTHFD_5":"195130.6354","SP_WTHFD_6":"406645.0417"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)tyrosine","SP_HetCD_1":"187856.4585","SP_HetCD_2":"276158.7246","SP_HetCD_3":"471234.095","SP_HetCD_4":"455179.854","SP_HetCD_5":"632529.9945","SP_HetCD_6":"158925.0088","SP_HetHFD_1":"423142.2159","SP_HetHFD_2":"523274.7244","SP_HetHFD_3":"354284.271","SP_HetHFD_4":"159469.854","SP_HetHFD_5":"102579.2588","SP_HetHFD_6":"479768.1339","SP_WTCD_1":"707041.2862","SP_WTCD_2":"830649.207","SP_WTCD_3":"546648.4178","SP_WTCD_4":"725258.1399","SP_WTCD_5":"1064127.517","SP_WTCD_6":"701088.5115","SP_WTHFD_1":"180533.3545","SP_WTHFD_2":"245276.4371","SP_WTHFD_3":"283759.0184","SP_WTHFD_4":"244286.7759","SP_WTHFD_5":"321387.2521","SP_WTHFD_6":"180009.6327"},{"Metabolite":"Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehyde","SP_HetCD_1":"257758.7738","SP_HetCD_2":"168093.4329","SP_HetCD_3":"431440.978","SP_HetCD_4":"411927.3738","SP_HetCD_5":"174618.74","SP_HetCD_6":"251765.1195","SP_HetHFD_1":"211568.529","SP_HetHFD_2":"143079.2345","SP_HetHFD_3":"156540.0808","SP_HetHFD_4":"151025.1961","SP_HetHFD_5":"156190.723","SP_HetHFD_6":"201820.0391","SP_WTCD_1":"312679.0903","SP_WTCD_2":"137428.5063","SP_WTCD_3":"1062390.234","SP_WTCD_4":"177474.7123","SP_WTCD_5":"199349.1947","SP_WTCD_6":"188335.1612","SP_WTHFD_1":"131842.3812","SP_WTHFD_2":"107973.098","SP_WTHFD_3":"106861.6413","SP_WTHFD_4":"103773.6836","SP_WTHFD_5":"107473.9702","SP_WTHFD_6":"225889.5176"},{"Metabolite":"Pyrrolidine","SP_HetCD_1":"470077.4744","SP_HetCD_2":"360109.8706","SP_HetCD_3":"658402.1902","SP_HetCD_4":"602953.9804","SP_HetCD_5":"643465.9651","SP_HetCD_6":"537206.4436","SP_HetHFD_1":"1047912.259","SP_HetHFD_2":"989448.1324","SP_HetHFD_3":"571750.2318","SP_HetHFD_4":"963786.4117","SP_HetHFD_5":"688988.252","SP_HetHFD_6":"622006.5245","SP_WTCD_1":"893777.1728","SP_WTCD_2":"798118.1347","SP_WTCD_3":"864293.7854","SP_WTCD_4":"880789.1301","SP_WTCD_5":"941149.2559","SP_WTCD_6":"899072.489","SP_WTHFD_1":"440467.7379","SP_WTHFD_2":"565259.4351","SP_WTHFD_3":"377621.342","SP_WTHFD_4":"403996.3792","SP_WTHFD_5":"798649.5587","SP_WTHFD_6":"451516.3495"},{"Metabolite":"Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4,5-dimethyl-1,3-dioxolane;Octanal propyleneglycol acetal;6,6-Dimethoxy-2,5,5-trimethyl-2-hexene;7,7-Diethoxy-3-heptene;4,6-Dimethylnonanoic acid","SP_HetCD_1":"671007.1655","SP_HetCD_2":"863465.9642","SP_HetCD_3":"1011784.936","SP_HetCD_4":"477676.719","SP_HetCD_5":"655322.444","SP_HetCD_6":"609797.6448","SP_HetHFD_1":"610032.1158","SP_HetHFD_2":"650221.4179","SP_HetHFD_3":"724757.4348","SP_HetHFD_4":"289564.0576","SP_HetHFD_5":"398378.4229","SP_HetHFD_6":"600544.4125","SP_WTCD_1":"607177.9794","SP_WTCD_2":"783918.4693","SP_WTCD_3":"842338.5204","SP_WTCD_4":"770425.1075","SP_WTCD_5":"483671.4383","SP_WTCD_6":"563380.262","SP_WTHFD_1":"606649.0129","SP_WTHFD_2":"640195.8793","SP_WTHFD_3":"465594.5557","SP_WTHFD_4":"498248.2299","SP_WTHFD_5":"503925.4691","SP_WTHFD_6":"345094.0066"},{"Metabolite":"Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1,2,4-triol","SP_HetCD_1":"500052.8914","SP_HetCD_2":"461062.4159","SP_HetCD_3":"891025.7057","SP_HetCD_4":"806878.678","SP_HetCD_5":"483899.2254","SP_HetCD_6":"544554.2827","SP_HetHFD_1":"648794.055","SP_HetHFD_2":"588659.1299","SP_HetHFD_3":"653862.7455","SP_HetHFD_4":"973826.1776","SP_HetHFD_5":"611446.2945","SP_HetHFD_6":"692772.4719","SP_WTCD_1":"815767.6831","SP_WTCD_2":"948366.8472","SP_WTCD_3":"884200.5728","SP_WTCD_4":"523556.0623","SP_WTCD_5":"904417.4832","SP_WTCD_6":"992854.8815","SP_WTHFD_1":"658849.5002","SP_WTHFD_2":"599043.8698","SP_WTHFD_3":"643972.4795","SP_WTHFD_4":"688675.3774","SP_WTHFD_5":"564814.4109","SP_WTHFD_6":"650596.0445"},{"Metabolite":"N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide","SP_HetCD_1":"820659.2265","SP_HetCD_2":"443163.3528","SP_HetCD_3":"814455.9614","SP_HetCD_4":"895269.1232","SP_HetCD_5":"789516.4022","SP_HetCD_6":"986339.6525","SP_HetHFD_1":"786763.2422","SP_HetHFD_2":"567643.7501","SP_HetHFD_3":"526214.1294","SP_HetHFD_4":"660325.1681","SP_HetHFD_5":"867925.048","SP_HetHFD_6":"781807.3669","SP_WTCD_1":"807892.5512","SP_WTCD_2":"826617.8534","SP_WTCD_3":"926848.0551","SP_WTCD_4":"744978.7663","SP_WTCD_5":"653116.4534","SP_WTCD_6":"624327.8333","SP_WTHFD_1":"410562.0816","SP_WTHFD_2":"505220.7102","SP_WTHFD_3":"306820.2386","SP_WTHFD_4":"422959.2279","SP_WTHFD_5":"481916.1019","SP_WTHFD_6":"546328.2122"},{"Metabolite":"Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositol","SP_HetCD_1":"59867.49414","SP_HetCD_2":"10468.89193","SP_HetCD_3":"554562.3808","SP_HetCD_4":"984479.4406","SP_HetCD_5":"25187.05286","SP_HetCD_6":"2229.969663","SP_HetHFD_1":"80242.97678","SP_HetHFD_2":"7520.581028","SP_HetHFD_3":"5707.031309","SP_HetHFD_4":"510005.7874","SP_HetHFD_5":"435317.4969","SP_HetHFD_6":"18984.60455","SP_WTCD_1":"78049.84899","SP_WTCD_2":"221619.0874","SP_WTCD_3":"120191.2388","SP_WTCD_4":"6630.535672","SP_WTCD_5":"171147.1526","SP_WTCD_6":"336823.8931","SP_WTHFD_1":"13727.24436","SP_WTHFD_2":"4862.517828","SP_WTHFD_3":"82540.9927","SP_WTHFD_4":"94406.98592","SP_WTHFD_5":"14326.41511","SP_WTHFD_6":"205882.4996"},{"Metabolite":"Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid","SP_HetCD_1":"68348.7879","SP_HetCD_2":"8849.738324","SP_HetCD_3":"15971.3348","SP_HetCD_4":"26824.94913","SP_HetCD_5":"9849.444086","SP_HetCD_6":"3866.487187","SP_HetHFD_1":"4029.329403","SP_HetHFD_2":"3893.337918","SP_HetHFD_3":"27062.60332","SP_HetHFD_4":"176044.255","SP_HetHFD_5":"4168.851522","SP_HetHFD_6":"17773.17638","SP_WTCD_1":"982036.7713","SP_WTCD_2":"87919.1182","SP_WTCD_3":"21918.89869","SP_WTCD_4":"60652.82025","SP_WTCD_5":"81072.50877","SP_WTCD_6":"69579.00824","SP_WTHFD_1":"3998.508538","SP_WTHFD_2":"4036.648044","SP_WTHFD_3":"237400.519","SP_WTHFD_4":"4210.773762","SP_WTHFD_5":"3812.604216","SP_WTHFD_6":"21643.06832"},{"Metabolite":"Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine","SP_HetCD_1":"346625.2789","SP_HetCD_2":"220219.4553","SP_HetCD_3":"394489.79","SP_HetCD_4":"266305.1697","SP_HetCD_5":"326225.5673","SP_HetCD_6":"351935.8966","SP_HetHFD_1":"457267.9439","SP_HetHFD_2":"591661.9111","SP_HetHFD_3":"369427.6766","SP_HetHFD_4":"419275.721","SP_HetHFD_5":"502601.6939","SP_HetHFD_6":"980532.2881","SP_WTCD_1":"574562.076","SP_WTCD_2":"514351.1894","SP_WTCD_3":"572712.726","SP_WTCD_4":"503089.749","SP_WTCD_5":"538629.956","SP_WTCD_6":"458621.1878","SP_WTHFD_1":"329306.8122","SP_WTHFD_2":"358499.1406","SP_WTHFD_3":"331284.0119","SP_WTHFD_4":"349306.5371","SP_WTHFD_5":"453532.1297","SP_WTHFD_6":"426217.5898"},{"Metabolite":"N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine","SP_HetCD_1":"22391.84483","SP_HetCD_2":"863917.9266","SP_HetCD_3":"19793.51818","SP_HetCD_4":"64336.57619","SP_HetCD_5":"597668.0886","SP_HetCD_6":"977909.7346","SP_HetHFD_1":"16070.18332","SP_HetHFD_2":"626460.7856","SP_HetHFD_3":"437970.1333","SP_HetHFD_4":"28037.84219","SP_HetHFD_5":"24432.47192","SP_HetHFD_6":"198852.6456","SP_WTCD_1":"231023.9809","SP_WTCD_2":"544012.7996","SP_WTCD_3":"592961.4141","SP_WTCD_4":"462944.134","SP_WTCD_5":"40778.5821","SP_WTCD_6":"387160.7395","SP_WTHFD_1":"249289.3648","SP_WTHFD_2":"151437.2827","SP_WTHFD_3":"154956.0114","SP_WTHFD_4":"231145.6534","SP_WTHFD_5":"243636.1147","SP_WTHFD_6":"14664.46002"},{"Metabolite":"2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4,5-pentol;Zymonic acid;2-Maleylacetate","SP_HetCD_1":"568099.652","SP_HetCD_2":"288517.6639","SP_HetCD_3":"325967.5587","SP_HetCD_4":"118494.2568","SP_HetCD_5":"972443.1103","SP_HetCD_6":"173650.2587","SP_HetHFD_1":"883828.1532","SP_HetHFD_2":"856426.0805","SP_HetHFD_3":"543816.335","SP_HetHFD_4":"226119.953","SP_HetHFD_5":"647691.3742","SP_HetHFD_6":"555711.4834","SP_WTCD_1":"389785.5496","SP_WTCD_2":"287177.7355","SP_WTCD_3":"231923.9858","SP_WTCD_4":"638603.1614","SP_WTCD_5":"149339.0944","SP_WTCD_6":"278667.0371","SP_WTHFD_1":"400747.2005","SP_WTHFD_2":"375668.4644","SP_WTHFD_3":"275350.4002","SP_WTHFD_4":"543892.4977","SP_WTHFD_5":"386481.0721","SP_WTHFD_6":"626427.553"},{"Metabolite":"Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone","SP_HetCD_1":"59535.74567","SP_HetCD_2":"87860.59927","SP_HetCD_3":"126656.9438","SP_HetCD_4":"966805.4936","SP_HetCD_5":"58058.33385","SP_HetCD_6":"100896.822","SP_HetHFD_1":"96537.22439","SP_HetHFD_2":"84524.35738","SP_HetHFD_3":"171933.9904","SP_HetHFD_4":"107340.3201","SP_HetHFD_5":"105438.9496","SP_HetHFD_6":"62508.02243","SP_WTCD_1":"143298.6179","SP_WTCD_2":"126282.2086","SP_WTCD_3":"77275.8925","SP_WTCD_4":"86912.4761","SP_WTCD_5":"63137.4182","SP_WTCD_6":"113466.8887","SP_WTHFD_1":"110952.9342","SP_WTHFD_2":"59388.35569","SP_WTHFD_3":"48150.75992","SP_WTHFD_4":"85675.59492","SP_WTHFD_5":"110464.4662","SP_WTHFD_6":"96428.8051"},{"Metabolite":"3-[(3-Methylbutyl)nitrosoamino]-2-butanone","SP_HetCD_1":"48002.45604","SP_HetCD_2":"45046.74719","SP_HetCD_3":"282499.0263","SP_HetCD_4":"195623.8113","SP_HetCD_5":"498253.2565","SP_HetCD_6":"152660.3796","SP_HetHFD_1":"37583.34334","SP_HetHFD_2":"277765.6271","SP_HetHFD_3":"155203.7699","SP_HetHFD_4":"64844.90885","SP_HetHFD_5":"111473.8264","SP_HetHFD_6":"25244.1681","SP_WTCD_1":"966302.3238","SP_WTCD_2":"217812.8444","SP_WTCD_3":"304450.9204","SP_WTCD_4":"85657.88336","SP_WTCD_5":"127649.0502","SP_WTCD_6":"193749.6388","SP_WTHFD_1":"18434.64188","SP_WTHFD_2":"65583.06767","SP_WTHFD_3":"54895.91643","SP_WTHFD_4":"32688.00694","SP_WTHFD_5":"621427.984","SP_WTHFD_6":"23578.61054"},{"Metabolite":"N-Methyl-1-deoxynojirimycin","SP_HetCD_1":"368636.6016","SP_HetCD_2":"340442.5362","SP_HetCD_3":"343888.1625","SP_HetCD_4":"423156.0963","SP_HetCD_5":"431514.1515","SP_HetCD_6":"384343.5697","SP_HetHFD_1":"444842.4536","SP_HetHFD_2":"397556.1625","SP_HetHFD_3":"448501.3147","SP_HetHFD_4":"631310.0204","SP_HetHFD_5":"523339.2625","SP_HetHFD_6":"906391.3762","SP_WTCD_1":"962623.9673","SP_WTCD_2":"475484.6653","SP_WTCD_3":"456943.2632","SP_WTCD_4":"207222.1086","SP_WTCD_5":"959140.6559","SP_WTCD_6":"510287.6176","SP_WTHFD_1":"417470.4422","SP_WTHFD_2":"195194.5507","SP_WTHFD_3":"376802.5414","SP_WTHFD_4":"404299.5835","SP_WTHFD_5":"218593.656","SP_WTHFD_6":"338127.0423"},{"Metabolite":"Tenofovir","SP_HetCD_1":"75724.43644","SP_HetCD_2":"122155.9669","SP_HetCD_3":"421119.7607","SP_HetCD_4":"339477.9511","SP_HetCD_5":"131794.5845","SP_HetCD_6":"26765.77959","SP_HetHFD_1":"152365.154","SP_HetHFD_2":"76436.67719","SP_HetHFD_3":"67772.13944","SP_HetHFD_4":"34947.70894","SP_HetHFD_5":"41160.30283","SP_HetHFD_6":"64650.52658","SP_WTCD_1":"340897.6801","SP_WTCD_2":"510340.5688","SP_WTCD_3":"346557.3801","SP_WTCD_4":"65123.75555","SP_WTCD_5":"958609.4334","SP_WTCD_6":"458087.6197","SP_WTHFD_1":"40779.65159","SP_WTHFD_2":"30791.18864","SP_WTHFD_3":"14594.69416","SP_WTHFD_4":"48955.85465","SP_WTHFD_5":"54311.27991","SP_WTHFD_6":"83990.27759"},{"Metabolite":"Indolepyruvate","SP_HetCD_1":"389758.7034","SP_HetCD_2":"443979.5699","SP_HetCD_3":"404148.0581","SP_HetCD_4":"320372.5475","SP_HetCD_5":"431160.7196","SP_HetCD_6":"352887.5189","SP_HetHFD_1":"808932.4756","SP_HetHFD_2":"370506.442","SP_HetHFD_3":"271122.7853","SP_HetHFD_4":"362422.7597","SP_HetHFD_5":"100085.9754","SP_HetHFD_6":"144041.6232","SP_WTCD_1":"466016.3284","SP_WTCD_2":"666153.5938","SP_WTCD_3":"114836.2888","SP_WTCD_4":"71098.134","SP_WTCD_5":"935098.1383","SP_WTCD_6":"486356.342","SP_WTHFD_1":"536388.9419","SP_WTHFD_2":"107601.1097","SP_WTHFD_3":"395647.8979","SP_WTHFD_4":"472364.3328","SP_WTHFD_5":"298798.2088","SP_WTHFD_6":"394768.3281"},{"Metabolite":"Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3,4-Hexanedione;Dihydro-4,4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2,3-pentanedione;Prenyl formate;Allyl propionate;epsilon-Caprolactone","SP_HetCD_1":"907578.6911","SP_HetCD_2":"931984.054","SP_HetCD_3":"310672.592","SP_HetCD_4":"264554.579","SP_HetCD_5":"287829.7288","SP_HetCD_6":"273852.6029","SP_HetHFD_1":"303751.5277","SP_HetHFD_2":"292492.7828","SP_HetHFD_3":"338692.2723","SP_HetHFD_4":"299190.7885","SP_HetHFD_5":"407071.2165","SP_HetHFD_6":"210235.4227","SP_WTCD_1":"261712.5323","SP_WTCD_2":"713926.52","SP_WTCD_3":"822866.3553","SP_WTCD_4":"768848.1435","SP_WTCD_5":"296542.5462","SP_WTCD_6":"231352.721","SP_WTHFD_1":"295921.0053","SP_WTHFD_2":"336150.6575","SP_WTHFD_3":"288688.3608","SP_WTHFD_4":"258831.3269","SP_WTHFD_5":"266285.6415","SP_WTHFD_6":"297835.7643"},{"Metabolite":"Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronate","SP_HetCD_1":"903928.5417","SP_HetCD_2":"838597.2768","SP_HetCD_3":"928211.2716","SP_HetCD_4":"800268.4734","SP_HetCD_5":"885281.0789","SP_HetCD_6":"786521.0796","SP_HetHFD_1":"873884.3322","SP_HetHFD_2":"917864.2919","SP_HetHFD_3":"854500.9876","SP_HetHFD_4":"825554.3944","SP_HetHFD_5":"736603.5135","SP_HetHFD_6":"900489.8658","SP_WTCD_1":"791082.2961","SP_WTCD_2":"726111.9393","SP_WTCD_3":"679595.7016","SP_WTCD_4":"688648.2006","SP_WTCD_5":"867649.9775","SP_WTCD_6":"823204.1367","SP_WTHFD_1":"856624.6742","SP_WTHFD_2":"810447.7207","SP_WTHFD_3":"807605.6776","SP_WTHFD_4":"809327.9208","SP_WTHFD_5":"808296.8563","SP_WTHFD_6":"820230.9189"},{"Metabolite":"Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil","SP_HetCD_1":"165439.8545","SP_HetCD_2":"56833.25155","SP_HetCD_3":"142039.9756","SP_HetCD_4":"584117.6979","SP_HetCD_5":"94615.30092","SP_HetCD_6":"61468.4665","SP_HetHFD_1":"181041.6472","SP_HetHFD_2":"119513.6171","SP_HetHFD_3":"119345.5822","SP_HetHFD_4":"133078.8358","SP_HetHFD_5":"478466.0714","SP_HetHFD_6":"163349.9424","SP_WTCD_1":"174965.2217","SP_WTCD_2":"734374.0467","SP_WTCD_3":"721772.9614","SP_WTCD_4":"252685.6401","SP_WTCD_5":"220568.6327","SP_WTCD_6":"925118.6053","SP_WTHFD_1":"183465.0475","SP_WTHFD_2":"202649.8442","SP_WTHFD_3":"76165.88608","SP_WTHFD_4":"117046.7661","SP_WTHFD_5":"303541.1006","SP_WTHFD_6":"248536.5519"},{"Metabolite":"{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid","SP_HetCD_1":"16041.31831","SP_HetCD_2":"5333.050077","SP_HetCD_3":"2860.424331","SP_HetCD_4":"2982.472934","SP_HetCD_5":"3204.613082","SP_HetCD_6":"2620.470779","SP_HetHFD_1":"31082.45792","SP_HetHFD_2":"2877.674797","SP_HetHFD_3":"2990.360423","SP_HetHFD_4":"3213.384175","SP_HetHFD_5":"2839.478759","SP_HetHFD_6":"6551.12902","SP_WTCD_1":"917766.8366","SP_WTCD_2":"49822.52537","SP_WTCD_3":"2601.080534","SP_WTCD_4":"2419.930463","SP_WTCD_5":"21393.89852","SP_WTCD_6":"2648.145733","SP_WTHFD_1":"2460.634874","SP_WTHFD_2":"2012.777547","SP_WTHFD_3":"2509.288044","SP_WTHFD_4":"2606.530049","SP_WTHFD_5":"2187.554274","SP_WTHFD_6":"3339.031631"},{"Metabolite":"Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1,8-dien-6-one;2-tert-Butyl-1,4-benzenediol;3-Hydroxy-p-mentha-1,8-dien-7-al;alpha-Teresantalic acid;2,4,7-Decatrienoic acid;5-Hydroxy-p-mentha-6,8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1,2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1,4-Epidioxy-p-mentha-2,8-diene;(1xi,4xi,6xi)-Carvone oxide;Rotundifolone;1,1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1,2:3,4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3,5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-ol","SP_HetCD_1":"597885.6982","SP_HetCD_2":"653602.2646","SP_HetCD_3":"728245.6022","SP_HetCD_4":"495950.4168","SP_HetCD_5":"914077.9712","SP_HetCD_6":"797540.3255","SP_HetHFD_1":"433610.0581","SP_HetHFD_2":"447938.5162","SP_HetHFD_3":"593617.9197","SP_HetHFD_4":"552125.8756","SP_HetHFD_5":"345095.4296","SP_HetHFD_6":"642597.0415","SP_WTCD_1":"702267.0692","SP_WTCD_2":"382560.7784","SP_WTCD_3":"192865.4605","SP_WTCD_4":"226851.2777","SP_WTCD_5":"479085.2029","SP_WTCD_6":"380036.6348","SP_WTHFD_1":"513319.5642","SP_WTHFD_2":"232191.0141","SP_WTHFD_3":"501937.7454","SP_WTHFD_4":"630749.6682","SP_WTHFD_5":"283885.2897","SP_WTHFD_6":"468607.5626"},{"Metabolite":"Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl)","SP_HetCD_1":"432929.7143","SP_HetCD_2":"454452.1578","SP_HetCD_3":"666618.089","SP_HetCD_4":"477694.8686","SP_HetCD_5":"532517.894","SP_HetCD_6":"462950.1396","SP_HetHFD_1":"496434.3562","SP_HetHFD_2":"664353.8395","SP_HetHFD_3":"536402.1","SP_HetHFD_4":"273382.8548","SP_HetHFD_5":"423803.2013","SP_HetHFD_6":"740941.8789","SP_WTCD_1":"565697.5922","SP_WTCD_2":"594615.8315","SP_WTCD_3":"578447.9597","SP_WTCD_4":"492505.5696","SP_WTCD_5":"902953.0422","SP_WTCD_6":"711595.469","SP_WTHFD_1":"483530.219","SP_WTHFD_2":"465193.7083","SP_WTHFD_3":"474608.8852","SP_WTHFD_4":"498980.5593","SP_WTHFD_5":"508853.0634","SP_WTHFD_6":"455502.4333"},{"Metabolite":"Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2,3-Heptanedione;2,4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2,3-hexanedione;3,4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;Pantolactone","SP_HetCD_1":"902527.6758","SP_HetCD_2":"898536.0721","SP_HetCD_3":"262538.2067","SP_HetCD_4":"222169.0024","SP_HetCD_5":"250255.6156","SP_HetCD_6":"225756.0193","SP_HetHFD_1":"231049.0855","SP_HetHFD_2":"250432.2263","SP_HetHFD_3":"252503.8154","SP_HetHFD_4":"241160.048","SP_HetHFD_5":"341339.3435","SP_HetHFD_6":"166794.5782","SP_WTCD_1":"199958.6645","SP_WTCD_2":"737831.3583","SP_WTCD_3":"849636.6196","SP_WTCD_4":"789583.0909","SP_WTCD_5":"223827.9715","SP_WTCD_6":"179722.6258","SP_WTHFD_1":"234688.1701","SP_WTHFD_2":"303242.1106","SP_WTHFD_3":"218505.8382","SP_WTHFD_4":"188363.6898","SP_WTHFD_5":"216707.0038","SP_WTHFD_6":"238140.9322"},{"Metabolite":"Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide","SP_HetCD_1":"689924.8607","SP_HetCD_2":"498821.0416","SP_HetCD_3":"833386.8896","SP_HetCD_4":"627307.9903","SP_HetCD_5":"882907.5116","SP_HetCD_6":"645243.949","SP_HetHFD_1":"357917.6723","SP_HetHFD_2":"376667.8974","SP_HetHFD_3":"348434.6531","SP_HetHFD_4":"362498.1769","SP_HetHFD_5":"277939.2794","SP_HetHFD_6":"271764.5363","SP_WTCD_1":"820921.7917","SP_WTCD_2":"791320.4142","SP_WTCD_3":"748483.6171","SP_WTCD_4":"800506.7879","SP_WTCD_5":"761880.8142","SP_WTCD_6":"722118.5681","SP_WTHFD_1":"196310.7044","SP_WTHFD_2":"242578.5036","SP_WTHFD_3":"221853.5907","SP_WTHFD_4":"248105.3527","SP_WTHFD_5":"277356.7707","SP_WTHFD_6":"247847.8103"},{"Metabolite":"3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide","SP_HetCD_1":"3447.620916","SP_HetCD_2":"3323.672507","SP_HetCD_3":"11381.23185","SP_HetCD_4":"6995.629248","SP_HetCD_5":"11164.66057","SP_HetCD_6":"3236.973296","SP_HetHFD_1":"6249.255233","SP_HetHFD_2":"8558.934047","SP_HetHFD_3":"4511.497254","SP_HetHFD_4":"872581.0398","SP_HetHFD_5":"104378.9905","SP_HetHFD_6":"5746.531494","SP_WTCD_1":"14689.52202","SP_WTCD_2":"16402.98692","SP_WTCD_3":"14342.70129","SP_WTCD_4":"4591.388069","SP_WTCD_5":"28024.92319","SP_WTCD_6":"8727.575429","SP_WTHFD_1":"3758.246006","SP_WTHFD_2":"3523.590972","SP_WTHFD_3":"4215.412628","SP_WTHFD_4":"3920.242316","SP_WTHFD_5":"3451.092427","SP_WTHFD_6":"3656.232944"},{"Metabolite":"N-Gluconyl ethanolamine","SP_HetCD_1":"310572.6022","SP_HetCD_2":"138177.7173","SP_HetCD_3":"606730.6097","SP_HetCD_4":"867429.5754","SP_HetCD_5":"103029.3425","SP_HetCD_6":"63893.4941","SP_HetHFD_1":"186815.3093","SP_HetHFD_2":"78262.33615","SP_HetHFD_3":"54354.07276","SP_HetHFD_4":"375575.5166","SP_HetHFD_5":"270490.6204","SP_HetHFD_6":"71935.77306","SP_WTCD_1":"149071.0711","SP_WTCD_2":"280808.9501","SP_WTCD_3":"214988.18","SP_WTCD_4":"84214.33875","SP_WTCD_5":"258667.1767","SP_WTCD_6":"412178.8334","SP_WTHFD_1":"78178.22008","SP_WTHFD_2":"47561.89842","SP_WTHFD_3":"46534.42636","SP_WTHFD_4":"71923.59953","SP_WTHFD_5":"39537.96663","SP_WTHFD_6":"379442.1444"},{"Metabolite":"9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,10-Epoxyoctadecenoic acid;(9Z,​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8,10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E,12Z)-9-HODE;12,13-EpOME","SP_HetCD_1":"20662.68991","SP_HetCD_2":"33168.03452","SP_HetCD_3":"94860.56399","SP_HetCD_4":"40537.76364","SP_HetCD_5":"97472.58282","SP_HetCD_6":"53340.97481","SP_HetHFD_1":"208159.1127","SP_HetHFD_2":"579546.9897","SP_HetHFD_3":"553681.2871","SP_HetHFD_4":"632102.6742","SP_HetHFD_5":"864245.7189","SP_HetHFD_6":"724106.0805","SP_WTCD_1":"28479.04416","SP_WTCD_2":"65172.21503","SP_WTCD_3":"84990.87838","SP_WTCD_4":"131512.5187","SP_WTCD_5":"30924.66927","SP_WTCD_6":"80000.6753","SP_WTHFD_1":"97076.96437","SP_WTHFD_2":"144872.2567","SP_WTHFD_3":"37427.44672","SP_WTHFD_4":"149149.6205","SP_WTHFD_5":"69196.76132","SP_WTHFD_6":"123477.5705"},{"Metabolite":"Pummeline;Koeniginequinone B;4-hydroxy ketorolac","SP_HetCD_1":"522806.0637","SP_HetCD_2":"400996.8983","SP_HetCD_3":"717930.8219","SP_HetCD_4":"570747.6212","SP_HetCD_5":"505994.0398","SP_HetCD_6":"385688.4332","SP_HetHFD_1":"434905.5005","SP_HetHFD_2":"389472.9831","SP_HetHFD_3":"451571.8858","SP_HetHFD_4":"21635.47476","SP_HetHFD_5":"218639.3091","SP_HetHFD_6":"716594.1077","SP_WTCD_1":"725018.3965","SP_WTCD_2":"635023.3346","SP_WTCD_3":"649098.8731","SP_WTCD_4":"364844.736","SP_WTCD_5":"846234.2213","SP_WTCD_6":"780076.9611","SP_WTHFD_1":"464306.3436","SP_WTHFD_2":"356978.3663","SP_WTHFD_3":"403338.5113","SP_WTHFD_4":"502349.1125","SP_WTHFD_5":"484773.5254","SP_WTHFD_6":"448458.4833"},{"Metabolite":"Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2,4-Dimethylpimelic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate","SP_HetCD_1":"842827.6299","SP_HetCD_2":"843946.2329","SP_HetCD_3":"361471.0833","SP_HetCD_4":"251041.161","SP_HetCD_5":"260568.5003","SP_HetCD_6":"204775.5385","SP_HetHFD_1":"251135.4814","SP_HetHFD_2":"310549.4469","SP_HetHFD_3":"263840.923","SP_HetHFD_4":"392020.0601","SP_HetHFD_5":"163767.0633","SP_HetHFD_6":"167308.6104","SP_WTCD_1":"232710.3787","SP_WTCD_2":"322784.3462","SP_WTCD_3":"106354.1849","SP_WTCD_4":"125395.2028","SP_WTCD_5":"204443.7311","SP_WTCD_6":"232306.8653","SP_WTHFD_1":"44400.80179","SP_WTHFD_2":"130603.0653","SP_WTHFD_3":"173105.5025","SP_WTHFD_4":"103311.6791","SP_WTHFD_5":"25038.68502","SP_WTHFD_6":"106355.8596"},{"Metabolite":"Triethanolamine","SP_HetCD_1":"842907.7698","SP_HetCD_2":"142512.6198","SP_HetCD_3":"144199.727","SP_HetCD_4":"203708.8591","SP_HetCD_5":"158730.318","SP_HetCD_6":"231120.0931","SP_HetHFD_1":"121031.1501","SP_HetHFD_2":"143410.3852","SP_HetHFD_3":"109391.223","SP_HetHFD_4":"89834.37986","SP_HetHFD_5":"172911.3462","SP_HetHFD_6":"341728.7422","SP_WTCD_1":"298566.403","SP_WTCD_2":"142741.004","SP_WTCD_3":"193090.0298","SP_WTCD_4":"135378.602","SP_WTCD_5":"106140.4112","SP_WTCD_6":"104511.6944","SP_WTHFD_1":"187298.9082","SP_WTHFD_2":"94061.95042","SP_WTHFD_3":"95790.92731","SP_WTHFD_4":"116614.9236","SP_WTHFD_5":"107825.2657","SP_WTHFD_6":"112517.9537"},{"Metabolite":"Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone","SP_HetCD_1":"12818.49034","SP_HetCD_2":"11237.61455","SP_HetCD_3":"16788.29913","SP_HetCD_4":"15587.36853","SP_HetCD_5":"12938.64908","SP_HetCD_6":"11391.69847","SP_HetHFD_1":"12580.48391","SP_HetHFD_2":"12001.07475","SP_HetHFD_3":"12451.78447","SP_HetHFD_4":"824219.2603","SP_HetHFD_5":"130967.1903","SP_HetHFD_6":"16930.2226","SP_WTCD_1":"16859.70811","SP_WTCD_2":"15178.71461","SP_WTCD_3":"15546.04415","SP_WTCD_4":"11044.06836","SP_WTCD_5":"21212.96918","SP_WTCD_6":"19202.58701","SP_WTHFD_1":"13253.56839","SP_WTHFD_2":"10460.53305","SP_WTHFD_3":"11467.74083","SP_WTHFD_4":"12626.09491","SP_WTHFD_5":"12370.16289","SP_WTHFD_6":"11776.8772"},{"Metabolite":"(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline","SP_HetCD_1":"709295.7046","SP_HetCD_2":"384993.1091","SP_HetCD_3":"822737.025","SP_HetCD_4":"421752.2301","SP_HetCD_5":"503280.8448","SP_HetCD_6":"621173.1138","SP_HetHFD_1":"448221.6526","SP_HetHFD_2":"480363.6278","SP_HetHFD_3":"392149.1333","SP_HetHFD_4":"135787.2267","SP_HetHFD_5":"154586.8616","SP_HetHFD_6":"364757.0289","SP_WTCD_1":"433967.6329","SP_WTCD_2":"354088.5365","SP_WTCD_3":"310687.5558","SP_WTCD_4":"681215.3334","SP_WTCD_5":"323410.6969","SP_WTCD_6":"253973.8272","SP_WTHFD_1":"239828.4273","SP_WTHFD_2":"446134.1184","SP_WTHFD_3":"296086.5844","SP_WTHFD_4":"297864.9193","SP_WTHFD_5":"343948.6819","SP_WTHFD_6":"336211.0323"},{"Metabolite":"(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2,3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanone","SP_HetCD_1":"375260.6405","SP_HetCD_2":"335236.4605","SP_HetCD_3":"641135.2827","SP_HetCD_4":"516355.5682","SP_HetCD_5":"819860.478","SP_HetCD_6":"717256.2824","SP_HetHFD_1":"202680.0671","SP_HetHFD_2":"185693.1806","SP_HetHFD_3":"294719.9153","SP_HetHFD_4":"206763.8546","SP_HetHFD_5":"160203.4396","SP_HetHFD_6":"324144.2513","SP_WTCD_1":"501603.2921","SP_WTCD_2":"199107.8553","SP_WTCD_3":"152039.0377","SP_WTCD_4":"178333.6635","SP_WTCD_5":"225656.4996","SP_WTCD_6":"251906.8234","SP_WTHFD_1":"165915.5354","SP_WTHFD_2":"123267.2443","SP_WTHFD_3":"172866.6534","SP_WTHFD_4":"231608.9164","SP_WTHFD_5":"128232.5847","SP_WTHFD_6":"169751.2041"},{"Metabolite":"apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]","SP_HetCD_1":"139209.2229","SP_HetCD_2":"135739.3571","SP_HetCD_3":"132770.2622","SP_HetCD_4":"112971.5558","SP_HetCD_5":"76538.9558","SP_HetCD_6":"190718.5055","SP_HetHFD_1":"192589.9586","SP_HetHFD_2":"192600.6495","SP_HetHFD_3":"251286.1343","SP_HetHFD_4":"190419.0339","SP_HetHFD_5":"815767.5953","SP_HetHFD_6":"334782.6583","SP_WTCD_1":"124260.996","SP_WTCD_2":"126155.872","SP_WTCD_3":"136646.0369","SP_WTCD_4":"194803.3746","SP_WTCD_5":"111817.2163","SP_WTCD_6":"150037.01","SP_WTHFD_1":"114612.6581","SP_WTHFD_2":"164451.3328","SP_WTHFD_3":"208019.3816","SP_WTHFD_4":"161820.1276","SP_WTHFD_5":"123836.1991","SP_WTHFD_6":"132738.3971"},{"Metabolite":"Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic 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acetate;4-Hydroxypropofol;(2,2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S,Z)-Lyratol 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acid;L-3-Aminodihydro-2(3H)-furanone","SP_HetCD_1":"295376.1652","SP_HetCD_2":"124199.6263","SP_HetCD_3":"309370.4312","SP_HetCD_4":"241875.7814","SP_HetCD_5":"108376.0978","SP_HetCD_6":"66902.80291","SP_HetHFD_1":"187954.0252","SP_HetHFD_2":"96785.02396","SP_HetHFD_3":"115146.3379","SP_HetHFD_4":"312461.8711","SP_HetHFD_5":"302457.9214","SP_HetHFD_6":"142117.9929","SP_WTCD_1":"504215.5094","SP_WTCD_2":"158242.7203","SP_WTCD_3":"213797.9294","SP_WTCD_4":"115899.9291","SP_WTCD_5":"639877.4504","SP_WTCD_6":"329346.7962","SP_WTHFD_1":"103801.7817","SP_WTHFD_2":"81953.39265","SP_WTHFD_3":"83630.48618","SP_WTHFD_4":"104711.0929","SP_WTHFD_5":"85390.66001","SP_WTHFD_6":"138377.7171"},{"Metabolite":"Sulfaphenazole","SP_HetCD_1":"34193.56743","SP_HetCD_2":"6614.082153","SP_HetCD_3":"265523.7186","SP_HetCD_4":"199363.8402","SP_HetCD_5":"60144.85349","SP_HetCD_6":"4828.610863","SP_HetHFD_1":"229415.0084","SP_HetHFD_2":"8760.527398","SP_HetHFD_3":"3401.258091","SP_HetHFD_4":"38346.18464","SP_HetHFD_5":"4605.102074","SP_HetHFD_6":"289975.4386","SP_WTCD_1":"637268.0124","SP_WTCD_2":"323478.0723","SP_WTCD_3":"86857.41072","SP_WTCD_4":"7499.302097","SP_WTCD_5":"421847.1045","SP_WTCD_6":"175764.6174","SP_WTHFD_1":"12207.72608","SP_WTHFD_2":"3499.743152","SP_WTHFD_3":"64116.53563","SP_WTHFD_4":"9895.837304","SP_WTHFD_5":"15625.06081","SP_WTHFD_6":"79202.40286"},{"Metabolite":"(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1,8-cineole;Linalyl oxide;cis-4-Decenoic acid;2,6-Dimethyl-3,7-octadiene-2,6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one;3-Methyl-2,4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2,6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1,3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3,7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-Hydroxycineol","SP_HetCD_1":"547446.1436","SP_HetCD_2":"528473.8186","SP_HetCD_3":"475187.588","SP_HetCD_4":"285104.0741","SP_HetCD_5":"495544.9887","SP_HetCD_6":"436198.8164","SP_HetHFD_1":"438565.7018","SP_HetHFD_2":"433175.7131","SP_HetHFD_3":"578348.2756","SP_HetHFD_4":"321068.5183","SP_HetHFD_5":"418343.7572","SP_HetHFD_6":"634302.6608","SP_WTCD_1":"416025.4517","SP_WTCD_2":"282701.9144","SP_WTCD_3":"338532.9691","SP_WTCD_4":"436985.54","SP_WTCD_5":"274042.1015","SP_WTCD_6":"390537.8842","SP_WTHFD_1":"491439.166","SP_WTHFD_2":"500945.6031","SP_WTHFD_3":"411588.7736","SP_WTHFD_4":"512392.6886","SP_WTHFD_5":"486583.685","SP_WTHFD_6":"439147.1162"},{"Metabolite":"6-allyl-8b-Carboxy-ergoline","SP_HetCD_1":"44728.2759","SP_HetCD_2":"36530.06006","SP_HetCD_3":"625859.1177","SP_HetCD_4":"149023.1808","SP_HetCD_5":"37865.34269","SP_HetCD_6":"202354.0584","SP_HetHFD_1":"147233.2673","SP_HetHFD_2":"5658.541129","SP_HetHFD_3":"2847.931058","SP_HetHFD_4":"18767.14781","SP_HetHFD_5":"33684.85907","SP_HetHFD_6":"185673.4768","SP_WTCD_1":"17164.39285","SP_WTCD_2":"134304.7945","SP_WTCD_3":"37298.33722","SP_WTCD_4":"4404.429827","SP_WTCD_5":"80377.26731","SP_WTCD_6":"186361.9233","SP_WTHFD_1":"30124.41625","SP_WTHFD_2":"2646.077537","SP_WTHFD_3":"2144.255343","SP_WTHFD_4":"2352.874009","SP_WTHFD_5":"7666.836514","SP_WTHFD_6":"48531.15485"},{"Metabolite":"m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl Phenylglyoxalate","SP_HetCD_1":"47521.68656","SP_HetCD_2":"41865.0116","SP_HetCD_3":"11991.08415","SP_HetCD_4":"45860.8522","SP_HetCD_5":"46928.37917","SP_HetCD_6":"38947.68455","SP_HetHFD_1":"8082.503712","SP_HetHFD_2":"6267.027155","SP_HetHFD_3":"112922.5886","SP_HetHFD_4":"617460.8454","SP_HetHFD_5":"56209.35966","SP_HetHFD_6":"23669.54399","SP_WTCD_1":"114203.8179","SP_WTCD_2":"14332.449","SP_WTCD_3":"5784.3671","SP_WTCD_4":"22618.84964","SP_WTCD_5":"20978.53419","SP_WTCD_6":"10649.76273","SP_WTHFD_1":"33712.55903","SP_WTHFD_2":"27672.46911","SP_WTHFD_3":"48083.46989","SP_WTHFD_4":"40942.97213","SP_WTHFD_5":"9533.948962","SP_WTHFD_6":"24053.0793"},{"Metabolite":"Isosorbide Mononitrate;gamma-Carboxyglutamic acid","SP_HetCD_1":"279706.1356","SP_HetCD_2":"72685.01209","SP_HetCD_3":"214717.7756","SP_HetCD_4":"614740.0133","SP_HetCD_5":"117955.7949","SP_HetCD_6":"54163.08087","SP_HetHFD_1":"176858.337","SP_HetHFD_2":"112346.864","SP_HetHFD_3":"140048.0509","SP_HetHFD_4":"174621.0517","SP_HetHFD_5":"168397.8939","SP_HetHFD_6":"140152.2334","SP_WTCD_1":"310365.7408","SP_WTCD_2":"93080.57893","SP_WTCD_3":"178635.3571","SP_WTCD_4":"58585.59953","SP_WTCD_5":"342205.3005","SP_WTCD_6":"220888.764","SP_WTHFD_1":"123220.8684","SP_WTHFD_2":"40160.34871","SP_WTHFD_3":"84958.20854","SP_WTHFD_4":"127497.6865","SP_WTHFD_5":"90758.26713","SP_WTHFD_6":"188135.1937"},{"Metabolite":"Tetrahydro-2,5-furan-diacetic acid","SP_HetCD_1":"453739.409","SP_HetCD_2":"456322.7915","SP_HetCD_3":"433722.0815","SP_HetCD_4":"385923.4761","SP_HetCD_5":"416825.2783","SP_HetCD_6":"381512.9634","SP_HetHFD_1":"466077.1444","SP_HetHFD_2":"455014.0343","SP_HetHFD_3":"423796.8794","SP_HetHFD_4":"485029.9456","SP_HetHFD_5":"613392.4371","SP_HetHFD_6":"370793.8809","SP_WTCD_1":"367720.6394","SP_WTCD_2":"390388.0596","SP_WTCD_3":"359581.8273","SP_WTCD_4":"414216.102","SP_WTCD_5":"446632.6108","SP_WTCD_6":"331963.5752","SP_WTHFD_1":"350195.7799","SP_WTHFD_2":"429479.7781","SP_WTHFD_3":"377922.631","SP_WTHFD_4":"309342.3721","SP_WTHFD_5":"318376.0792","SP_WTHFD_6":"399922.5008"},{"Metabolite":"N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine","SP_HetCD_1":"213875.25","SP_HetCD_2":"89641.00391","SP_HetCD_3":"608049.9873","SP_HetCD_4":"341512.6334","SP_HetCD_5":"53322.64229","SP_HetCD_6":"64088.04689","SP_HetHFD_1":"163662.6479","SP_HetHFD_2":"77857.61204","SP_HetHFD_3":"87647.0031","SP_HetHFD_4":"30266.12401","SP_HetHFD_5":"69664.23895","SP_HetHFD_6":"51833.72152","SP_WTCD_1":"529110.2781","SP_WTCD_2":"388457.4108","SP_WTCD_3":"321615.1895","SP_WTCD_4":"84946.58456","SP_WTCD_5":"521660.9188","SP_WTCD_6":"605120.6423","SP_WTHFD_1":"16300.47517","SP_WTHFD_2":"52966.25822","SP_WTHFD_3":"12842.18412","SP_WTHFD_4":"14641.74595","SP_WTHFD_5":"16992.92384","SP_WTHFD_6":"36253.67503"},{"Metabolite":"Pimelylcarnitine","SP_HetCD_1":"21753.64451","SP_HetCD_2":"14579.90184","SP_HetCD_3":"63095.9373","SP_HetCD_4":"221937.6011","SP_HetCD_5":"19529.10807","SP_HetCD_6":"16708.94761","SP_HetHFD_1":"66738.53264","SP_HetHFD_2":"47293.241","SP_HetHFD_3":"39316.9033","SP_HetHFD_4":"49745.98547","SP_HetHFD_5":"63355.62658","SP_HetHFD_6":"77369.9952","SP_WTCD_1":"180606.5995","SP_WTCD_2":"243001.7606","SP_WTCD_3":"509060.2199","SP_WTCD_4":"19108.459","SP_WTCD_5":"113748.1786","SP_WTCD_6":"604713.419","SP_WTHFD_1":"50651.77273","SP_WTHFD_2":"33797.1146","SP_WTHFD_3":"36778.38212","SP_WTHFD_4":"43136.25155","SP_WTHFD_5":"141808.3209","SP_WTHFD_6":"70749.77164"},{"Metabolite":"Dimethylphosphate;Ethylphosphate","SP_HetCD_1":"175431.4524","SP_HetCD_2":"114371.1463","SP_HetCD_3":"434997.7233","SP_HetCD_4":"239365.4939","SP_HetCD_5":"141213.3778","SP_HetCD_6":"60605.88772","SP_HetHFD_1":"347866.7561","SP_HetHFD_2":"113158.5902","SP_HetHFD_3":"154260.3796","SP_HetHFD_4":"239738.9147","SP_HetHFD_5":"230518.2607","SP_HetHFD_6":"185167.3524","SP_WTCD_1":"601402.7362","SP_WTCD_2":"182389.6943","SP_WTCD_3":"242827.4129","SP_WTCD_4":"67534.30814","SP_WTCD_5":"409894.2821","SP_WTCD_6":"399133.5275","SP_WTHFD_1":"113670.4731","SP_WTHFD_2":"95430.33209","SP_WTHFD_3":"105034.5873","SP_WTHFD_4":"140314.1957","SP_WTHFD_5":"127140.416","SP_WTHFD_6":"147955.2791"},{"Metabolite":"N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylate","SP_HetCD_1":"44974.92773","SP_HetCD_2":"41483.4353","SP_HetCD_3":"65974.01933","SP_HetCD_4":"56087.68589","SP_HetCD_5":"62079.76447","SP_HetCD_6":"37633.75813","SP_HetHFD_1":"198213.8593","SP_HetHFD_2":"214504.4967","SP_HetHFD_3":"93850.39132","SP_HetHFD_4":"231168.2794","SP_HetHFD_5":"86293.87404","SP_HetHFD_6":"599595.5625","SP_WTCD_1":"41998.59114","SP_WTCD_2":"124828.2485","SP_WTCD_3":"44380.75891","SP_WTCD_4":"64611.54876","SP_WTCD_5":"97255.22918","SP_WTCD_6":"61605.29869","SP_WTHFD_1":"50307.62699","SP_WTHFD_2":"55634.84804","SP_WTHFD_3":"65871.44609","SP_WTHFD_4":"98585.38242","SP_WTHFD_5":"109797.5089","SP_WTHFD_6":"84728.23999"},{"Metabolite":"2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;Dehydrowarfarin","SP_HetCD_1":"3399.301201","SP_HetCD_2":"4224.898277","SP_HetCD_3":"44180.24744","SP_HetCD_4":"211494.7393","SP_HetCD_5":"14937.87097","SP_HetCD_6":"2553.060226","SP_HetHFD_1":"11600.92586","SP_HetHFD_2":"3610.296132","SP_HetHFD_3":"4132.833731","SP_HetHFD_4":"20381.81608","SP_HetHFD_5":"11828.14122","SP_HetHFD_6":"16320.32229","SP_WTCD_1":"96723.36739","SP_WTCD_2":"460381.715","SP_WTCD_3":"337421.4357","SP_WTCD_4":"2656.917175","SP_WTCD_5":"168573.674","SP_WTCD_6":"598792.3313","SP_WTHFD_1":"29368.15226","SP_WTHFD_2":"2398.560106","SP_WTHFD_3":"2567.385668","SP_WTHFD_4":"2940.227751","SP_WTHFD_5":"53776.34655","SP_WTHFD_6":"75585.32583"},{"Metabolite":"5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid","SP_HetCD_1":"100026.6877","SP_HetCD_2":"104192.7543","SP_HetCD_3":"92506.41385","SP_HetCD_4":"94221.74853","SP_HetCD_5":"99789.40016","SP_HetCD_6":"103367.6692","SP_HetHFD_1":"110757.0833","SP_HetHFD_2":"310187.3509","SP_HetHFD_3":"41815.41088","SP_HetHFD_4":"107954.3899","SP_HetHFD_5":"96059.5088","SP_HetHFD_6":"595730.7114","SP_WTCD_1":"111552.5982","SP_WTCD_2":"111372.2959","SP_WTCD_3":"195829.8879","SP_WTCD_4":"113410.4269","SP_WTCD_5":"120000.1638","SP_WTCD_6":"98086.25191","SP_WTHFD_1":"412741.5857","SP_WTHFD_2":"94169.9683","SP_WTHFD_3":"87444.91421","SP_WTHFD_4":"86165.48678","SP_WTHFD_5":"109595.5963","SP_WTHFD_6":"114427.8958"},{"Metabolite":"Argininic acid","SP_HetCD_1":"117378.2918","SP_HetCD_2":"15463.5342","SP_HetCD_3":"82995.0232","SP_HetCD_4":"593631.0818","SP_HetCD_5":"7742.419476","SP_HetCD_6":"3782.289215","SP_HetHFD_1":"56391.94364","SP_HetHFD_2":"3737.353811","SP_HetHFD_3":"3345.665855","SP_HetHFD_4":"4621.367055","SP_HetHFD_5":"4034.765642","SP_HetHFD_6":"16456.84484","SP_WTCD_1":"144692.946","SP_WTCD_2":"37625.29412","SP_WTCD_3":"27501.90689","SP_WTCD_4":"4333.05214","SP_WTCD_5":"64394.73708","SP_WTCD_6":"36692.13415","SP_WTHFD_1":"3115.679053","SP_WTHFD_2":"3997.116674","SP_WTHFD_3":"3365.662496","SP_WTHFD_4":"3113.61703","SP_WTHFD_5":"2626.788834","SP_WTHFD_6":"7903.9607"},{"Metabolite":"alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z,4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5,6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactone","SP_HetCD_1":"397685.4196","SP_HetCD_2":"372209.2334","SP_HetCD_3":"458251.4072","SP_HetCD_4":"254163.1255","SP_HetCD_5":"471946.798","SP_HetCD_6":"410903.6768","SP_HetHFD_1":"347174.0801","SP_HetHFD_2":"328977.6565","SP_HetHFD_3":"449269.4808","SP_HetHFD_4":"205704.2865","SP_HetHFD_5":"280930.7815","SP_HetHFD_6":"590523.5893","SP_WTCD_1":"336003.2029","SP_WTCD_2":"170963.1938","SP_WTCD_3":"193194.1637","SP_WTCD_4":"188901.3752","SP_WTCD_5":"199235.6146","SP_WTCD_6":"317048.8384","SP_WTHFD_1":"324235.7143","SP_WTHFD_2":"271242.2026","SP_WTHFD_3":"323931.2951","SP_WTHFD_4":"386471.945","SP_WTHFD_5":"195540.4466","SP_WTHFD_6":"283925.568"},{"Metabolite":"Xanthylic acid;5'-xanthylate(2-)","SP_HetCD_1":"14402.23956","SP_HetCD_2":"2722.293078","SP_HetCD_3":"77170.07466","SP_HetCD_4":"259085.9825","SP_HetCD_5":"2553.391333","SP_HetCD_6":"2385.45731","SP_HetHFD_1":"17975.60093","SP_HetHFD_2":"2757.054429","SP_HetHFD_3":"2544.278685","SP_HetHFD_4":"6958.15396","SP_HetHFD_5":"10428.4588","SP_HetHFD_6":"6837.464472","SP_WTCD_1":"191076.8929","SP_WTCD_2":"117914.2639","SP_WTCD_3":"145383.8645","SP_WTCD_4":"2890.62525","SP_WTCD_5":"301720.2983","SP_WTCD_6":"590405.148","SP_WTHFD_1":"2580.093359","SP_WTHFD_2":"2388.657911","SP_WTHFD_3":"2496.334731","SP_WTHFD_4":"2506.410505","SP_WTHFD_5":"3127.37825","SP_WTHFD_6":"8963.168405"},{"Metabolite":"D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde","SP_HetCD_1":"288755.0673","SP_HetCD_2":"61770.89622","SP_HetCD_3":"214373.9814","SP_HetCD_4":"582698.6557","SP_HetCD_5":"124025.4626","SP_HetCD_6":"50593.38105","SP_HetHFD_1":"170323.324","SP_HetHFD_2":"123969.1225","SP_HetHFD_3":"136898.9367","SP_HetHFD_4":"158235.692","SP_HetHFD_5":"180151.9476","SP_HetHFD_6":"138251.7273","SP_WTCD_1":"330215.8137","SP_WTCD_2":"95303.59258","SP_WTCD_3":"178434.4927","SP_WTCD_4":"49497.69102","SP_WTCD_5":"333437.2378","SP_WTCD_6":"220923.8786","SP_WTHFD_1":"120036.0398","SP_WTHFD_2":"64950.49222","SP_WTHFD_3":"84184.42484","SP_WTHFD_4":"119171.4333","SP_WTHFD_5":"85967.96522","SP_WTHFD_6":"176978.6404"},{"Metabolite":"Tiglylcarnitine","SP_HetCD_1":"581279.488","SP_HetCD_2":"537478.0947","SP_HetCD_3":"164027.2466","SP_HetCD_4":"138153.0614","SP_HetCD_5":"166801.8608","SP_HetCD_6":"142550.0617","SP_HetHFD_1":"165385.1507","SP_HetHFD_2":"161672.5522","SP_HetHFD_3":"174287.9688","SP_HetHFD_4":"189459.1328","SP_HetHFD_5":"220645.9557","SP_HetHFD_6":"154353.2396","SP_WTCD_1":"141715.974","SP_WTCD_2":"365186.0669","SP_WTCD_3":"367179.5424","SP_WTCD_4":"343843.0786","SP_WTCD_5":"159569.6666","SP_WTCD_6":"122513.394","SP_WTHFD_1":"109854.4076","SP_WTHFD_2":"127035.0819","SP_WTHFD_3":"140896.6646","SP_WTHFD_4":"116516.4039","SP_WTHFD_5":"85354.70595","SP_WTHFD_6":"130994.9812"},{"Metabolite":"{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acid","SP_HetCD_1":"579864.5262","SP_HetCD_2":"349658.2264","SP_HetCD_3":"11633.28368","SP_HetCD_4":"2510.324742","SP_HetCD_5":"5706.511863","SP_HetCD_6":"2306.348241","SP_HetHFD_1":"21075.9596","SP_HetHFD_2":"8018.641993","SP_HetHFD_3":"2495.056153","SP_HetHFD_4":"2776.956954","SP_HetHFD_5":"6603.876061","SP_HetHFD_6":"33245.90419","SP_WTCD_1":"2833.180088","SP_WTCD_2":"13792.65969","SP_WTCD_3":"35430.09707","SP_WTCD_4":"42556.35166","SP_WTCD_5":"2575.281136","SP_WTCD_6":"2519.234605","SP_WTHFD_1":"2280.738315","SP_WTHFD_2":"2862.386984","SP_WTHFD_3":"2260.521005","SP_WTHFD_4":"2258.804628","SP_WTHFD_5":"2245.869927","SP_WTHFD_6":"3014.911974"},{"Metabolite":"Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acid","SP_HetCD_1":"578000.0625","SP_HetCD_2":"11538.52821","SP_HetCD_3":"37230.71174","SP_HetCD_4":"253118.3285","SP_HetCD_5":"37295.91165","SP_HetCD_6":"3581.486571","SP_HetHFD_1":"35666.6081","SP_HetHFD_2":"32337.3202","SP_HetHFD_3":"3480.548557","SP_HetHFD_4":"271407.9173","SP_HetHFD_5":"305846.2974","SP_HetHFD_6":"144519.2425","SP_WTCD_1":"41045.79214","SP_WTCD_2":"19563.91589","SP_WTCD_3":"126051.228","SP_WTCD_4":"123592.9722","SP_WTCD_5":"43262.88665","SP_WTCD_6":"196423.5554","SP_WTHFD_1":"1187.035144","SP_WTHFD_2":"11156.57998","SP_WTHFD_3":"55077.32819","SP_WTHFD_4":"2428.683187","SP_WTHFD_5":"102413.1677","SP_WTHFD_6":"117844.6961"},{"Metabolite":"2-Furancarboxaldehyde;Protoanemonin","SP_HetCD_1":"10558.58877","SP_HetCD_2":"9205.282598","SP_HetCD_3":"13828.51974","SP_HetCD_4":"12839.31336","SP_HetCD_5":"10657.56351","SP_HetCD_6":"9383.340496","SP_HetHFD_1":"10133.4101","SP_HetHFD_2":"9885.28366","SP_HetHFD_3":"10178.99001","SP_HetHFD_4":"576220.0118","SP_HetHFD_5":"99555.84045","SP_HetHFD_6":"13945.42208","SP_WTCD_1":"13887.33931","SP_WTCD_2":"12452.55741","SP_WTCD_3":"12805.27448","SP_WTCD_4":"9096.997628","SP_WTCD_5":"16389.36187","SP_WTCD_6":"15817.16834","SP_WTHFD_1":"10066.85916","SP_WTHFD_2":"8616.339673","SP_WTHFD_3":"9445.976585","SP_WTHFD_4":"10283.97156","SP_WTHFD_5":"9649.447553","SP_WTHFD_6":"9700.612169"},{"Metabolite":"Zileuton O-glucuronide","SP_HetCD_1":"36105.26156","SP_HetCD_2":"50550.4331","SP_HetCD_3":"378886.4092","SP_HetCD_4":"396948.1656","SP_HetCD_5":"98908.359","SP_HetCD_6":"12731.37031","SP_HetHFD_1":"54612.99571","SP_HetHFD_2":"27608.68177","SP_HetHFD_3":"39311.28336","SP_HetHFD_4":"68360.74133","SP_HetHFD_5":"38039.04664","SP_HetHFD_6":"86652.82976","SP_WTCD_1":"365086.4626","SP_WTCD_2":"357069.212","SP_WTCD_3":"380756.4225","SP_WTCD_4":"35527.49297","SP_WTCD_5":"570108.0726","SP_WTCD_6":"457599.8873","SP_WTHFD_1":"48432.42842","SP_WTHFD_2":"19554.42006","SP_WTHFD_3":"21824.45511","SP_WTHFD_4":"36012.83232","SP_WTHFD_5":"43136.49737","SP_WTHFD_6":"69292.45109"},{"Metabolite":"6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2,5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one;3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one;(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5,7,8-Trihydroxyflavanone 7-glucoside;3,4,5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3,5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2,4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2,6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4'-Hydroxyfenoprofen glucuronide","SP_HetCD_1":"152266.2611","SP_HetCD_2":"82590.2349","SP_HetCD_3":"285440.0971","SP_HetCD_4":"150660.2193","SP_HetCD_5":"65553.67051","SP_HetCD_6":"27393.49535","SP_HetHFD_1":"77027.80315","SP_HetHFD_2":"39493.43871","SP_HetHFD_3":"55589.64071","SP_HetHFD_4":"15344.79821","SP_HetHFD_5":"5786.064204","SP_HetHFD_6":"87082.11914","SP_WTCD_1":"338217.8699","SP_WTCD_2":"145080.3915","SP_WTCD_3":"183610.132","SP_WTCD_4":"45006.5847","SP_WTCD_5":"568950.3765","SP_WTCD_6":"367292.6027","SP_WTHFD_1":"45472.74534","SP_WTHFD_2":"17289.84264","SP_WTHFD_3":"23552.42397","SP_WTHFD_4":"38115.53618","SP_WTHFD_5":"22808.62647","SP_WTHFD_6":"43717.08116"},{"Metabolite":"(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1,3,8-triol;Ethyl (3R,5Z)-3-hydroxy-5-octenoate;(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol;(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol;exo,exo-1,8-Epoxy-p-menthane-2,6-diol;5-Hexyl-1,4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1,4-dioxan-2-one;3-Oxodecanoic acid","SP_HetCD_1":"496296.2519","SP_HetCD_2":"453503.2019","SP_HetCD_3":"566150.3862","SP_HetCD_4":"295973.1815","SP_HetCD_5":"298397.108","SP_HetCD_6":"318568.3612","SP_HetHFD_1":"365047.126","SP_HetHFD_2":"331515.8844","SP_HetHFD_3":"377537.4818","SP_HetHFD_4":"328913.3968","SP_HetHFD_5":"400593.6904","SP_HetHFD_6":"276819.3694","SP_WTCD_1":"313537.1009","SP_WTCD_2":"339935.4265","SP_WTCD_3":"362191.2505","SP_WTCD_4":"326996.625","SP_WTCD_5":"329024.127","SP_WTCD_6":"268605.1933","SP_WTHFD_1":"309256.3122","SP_WTHFD_2":"317044.7666","SP_WTHFD_3":"300609.065","SP_WTHFD_4":"256629.0261","SP_WTHFD_5":"222128.5399","SP_WTHFD_6":"297762.9997"},{"Metabolite":"Sertraline","SP_HetCD_1":"564009.3136","SP_HetCD_2":"30650.64716","SP_HetCD_3":"55684.36213","SP_HetCD_4":"53693.60552","SP_HetCD_5":"4109.966761","SP_HetCD_6":"165902.6225","SP_HetHFD_1":"45732.22272","SP_HetHFD_2":"14013.04775","SP_HetHFD_3":"3106.198983","SP_HetHFD_4":"6155.686772","SP_HetHFD_5":"8014.019155","SP_HetHFD_6":"84480.76398","SP_WTCD_1":"73218.54197","SP_WTCD_2":"193757.1791","SP_WTCD_3":"90596.19297","SP_WTCD_4":"43385.43149","SP_WTCD_5":"120536.9525","SP_WTCD_6":"73289.75567","SP_WTHFD_1":"2369.752906","SP_WTHFD_2":"3196.140465","SP_WTHFD_3":"2224.88777","SP_WTHFD_4":"3120.476454","SP_WTHFD_5":"461815.4181","SP_WTHFD_6":"2671.705688"},{"Metabolite":"Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate","SP_HetCD_1":"134985.5565","SP_HetCD_2":"79692.52045","SP_HetCD_3":"210269.2304","SP_HetCD_4":"152284.4481","SP_HetCD_5":"103831.0009","SP_HetCD_6":"58261.015","SP_HetHFD_1":"186149.3168","SP_HetHFD_2":"69253.51118","SP_HetHFD_3":"65234.15458","SP_HetHFD_4":"274938.7282","SP_HetHFD_5":"204952.8895","SP_HetHFD_6":"106180.2327","SP_WTCD_1":"161182.8877","SP_WTCD_2":"295004.285","SP_WTCD_3":"169569.4378","SP_WTCD_4":"41039.79637","SP_WTCD_5":"554855.1037","SP_WTCD_6":"255822.4882","SP_WTHFD_1":"41857.86703","SP_WTHFD_2":"20838.1671","SP_WTHFD_3":"40585.31516","SP_WTHFD_4":"68664.13775","SP_WTHFD_5":"35413.80741","SP_WTHFD_6":"119234.2737"},{"Metabolite":"N,N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanal","SP_HetCD_1":"194435.6202","SP_HetCD_2":"152745.2108","SP_HetCD_3":"527959.2595","SP_HetCD_4":"336238.2213","SP_HetCD_5":"312849.6787","SP_HetCD_6":"334640.9369","SP_HetHFD_1":"357293.6215","SP_HetHFD_2":"367636.2558","SP_HetHFD_3":"314298.6291","SP_HetHFD_4":"548761.155","SP_HetHFD_5":"192247.4292","SP_HetHFD_6":"197130.9446","SP_WTCD_1":"431459.2326","SP_WTCD_2":"437216.4152","SP_WTCD_3":"489659.8133","SP_WTCD_4":"313121.3758","SP_WTCD_5":"542375.9372","SP_WTCD_6":"551966.1345","SP_WTHFD_1":"223447.0381","SP_WTHFD_2":"213500.6706","SP_WTHFD_3":"200474.2372","SP_WTHFD_4":"240464.2066","SP_WTHFD_5":"263557.9221","SP_WTHFD_6":"197516.4752"},{"Metabolite":"Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamate","SP_HetCD_1":"59436.17166","SP_HetCD_2":"3688.282514","SP_HetCD_3":"272213.894","SP_HetCD_4":"317633.5577","SP_HetCD_5":"8735.245517","SP_HetCD_6":"3505.124743","SP_HetHFD_1":"53009.79268","SP_HetHFD_2":"3462.984565","SP_HetHFD_3":"3925.069005","SP_HetHFD_4":"5358.933492","SP_HetHFD_5":"3732.621958","SP_HetHFD_6":"40329.71177","SP_WTCD_1":"254675.9404","SP_WTCD_2":"99784.00493","SP_WTCD_3":"123876.1329","SP_WTCD_4":"3334.122736","SP_WTCD_5":"539422.6108","SP_WTCD_6":"136707.4849","SP_WTHFD_1":"9391.866941","SP_WTHFD_2":"3412.329918","SP_WTHFD_3":"3516.173242","SP_WTHFD_4":"7242.168183","SP_WTHFD_5":"7836.276073","SP_WTHFD_6":"29541.91041"},{"Metabolite":"Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acid","SP_HetCD_1":"117761.3413","SP_HetCD_2":"159220.7804","SP_HetCD_3":"213340.4428","SP_HetCD_4":"165671.7534","SP_HetCD_5":"97871.38419","SP_HetCD_6":"240672.3422","SP_HetHFD_1":"248467.4584","SP_HetHFD_2":"479036.6741","SP_HetHFD_3":"109156.4472","SP_HetHFD_4":"493806.3197","SP_HetHFD_5":"527818.7333","SP_HetHFD_6":"175355.3185","SP_WTCD_1":"195287.5343","SP_WTCD_2":"96065.67152","SP_WTCD_3":"100919.3206","SP_WTCD_4":"176210.1545","SP_WTCD_5":"240497.661","SP_WTCD_6":"142670.1417","SP_WTHFD_1":"142140.0265","SP_WTHFD_2":"135486.3773","SP_WTHFD_3":"204381.573","SP_WTHFD_4":"263904.3392","SP_WTHFD_5":"78617.596","SP_WTHFD_6":"136310.9985"},{"Metabolite":"Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) 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acid;3,4,5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1,3-benzodioxol-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic 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acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate","SP_HetCD_1":"74256.83621","SP_HetCD_2":"41362.91871","SP_HetCD_3":"481549.0611","SP_HetCD_4":"97469.48148","SP_HetCD_5":"27304.95152","SP_HetCD_6":"22922.19074","SP_HetHFD_1":"288086.3032","SP_HetHFD_2":"4233.707792","SP_HetHFD_3":"19178.3859","SP_HetHFD_4":"17098.03305","SP_HetHFD_5":"6738.338053","SP_HetHFD_6":"64758.14832","SP_WTCD_1":"242762.5732","SP_WTCD_2":"116320.3195","SP_WTCD_3":"143963.803","SP_WTCD_4":"277205.7852","SP_WTCD_5":"84849.33062","SP_WTCD_6":"144748.5549","SP_WTHFD_1":"7164.163614","SP_WTHFD_2":"18961.60416","SP_WTHFD_3":"6502.686161","SP_WTHFD_4":"7371.053844","SP_WTHFD_5":"14139.30578","SP_WTHFD_6":"10923.56911"},{"Metabolite":"Marcanine 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acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid","SP_HetCD_1":"150372.4897","SP_HetCD_2":"10617.17145","SP_HetCD_3":"125246.4744","SP_HetCD_4":"123253.4915","SP_HetCD_5":"33956.87206","SP_HetCD_6":"16562.18213","SP_HetHFD_1":"105529.3015","SP_HetHFD_2":"28170.64208","SP_HetHFD_3":"24233.544","SP_HetHFD_4":"278502.0994","SP_HetHFD_5":"128945.319","SP_HetHFD_6":"74456.30006","SP_WTCD_1":"79314.76011","SP_WTCD_2":"10937.71002","SP_WTCD_3":"22868.56392","SP_WTCD_4":"22803.48259","SP_WTCD_5":"444934.1091","SP_WTCD_6":"44110.52847","SP_WTHFD_1":"6677.65267","SP_WTHFD_2":"2039.558589","SP_WTHFD_3":"4388.198229","SP_WTHFD_4":"13114.34849","SP_WTHFD_5":"6073.896256","SP_WTHFD_6":"18327.07044"},{"Metabolite":"L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic 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Ether","SP_HetCD_1":"57250.61757","SP_HetCD_2":"60895.54469","SP_HetCD_3":"377038.8937","SP_HetCD_4":"288385.2522","SP_HetCD_5":"218244.2712","SP_HetCD_6":"323851.1916","SP_HetHFD_1":"88445.6888","SP_HetHFD_2":"185444.6001","SP_HetHFD_3":"150280.2607","SP_HetHFD_4":"82867.99709","SP_HetHFD_5":"312604.0862","SP_HetHFD_6":"101297.5896","SP_WTCD_1":"130929.9559","SP_WTCD_2":"59795.69812","SP_WTCD_3":"45498.20362","SP_WTCD_4":"50356.74973","SP_WTCD_5":"89224.24015","SP_WTCD_6":"204424.5978","SP_WTHFD_1":"88091.61963","SP_WTHFD_2":"199811.2277","SP_WTHFD_3":"97228.35349","SP_WTHFD_4":"73713.59625","SP_WTHFD_5":"135040.2966","SP_WTHFD_6":"84058.11348"},{"Metabolite":"Dioscorine;N,N,O-Tridesmethyltramadol","SP_HetCD_1":"309759.6938","SP_HetCD_2":"351714.6877","SP_HetCD_3":"76275.9059","SP_HetCD_4":"67632.401","SP_HetCD_5":"70926.99164","SP_HetCD_6":"59585.3977","SP_HetHFD_1":"99530.10685","SP_HetHFD_2":"73487.06518","SP_HetHFD_3":"86204.30798","SP_HetHFD_4":"86553.60127","SP_HetHFD_5":"104271.6184","SP_HetHFD_6":"54731.02295","SP_WTCD_1":"70804.29824","SP_WTCD_2":"333079.7804","SP_WTCD_3":"314693.2506","SP_WTCD_4":"304603.1991","SP_WTCD_5":"85126.6322","SP_WTCD_6":"62995.84523","SP_WTHFD_1":"87785.15384","SP_WTHFD_2":"88563.30061","SP_WTHFD_3":"71485.26743","SP_WTHFD_4":"69472.1708","SP_WTHFD_5":"59191.0603","SP_WTHFD_6":"88360.13132"},{"Metabolite":"Malonyl-Carnitin;(S)-carnitinium","SP_HetCD_1":"30005.93766","SP_HetCD_2":"20685.78359","SP_HetCD_3":"22664.75378","SP_HetCD_4":"22332.25478","SP_HetCD_5":"20554.46977","SP_HetCD_6":"17676.1059","SP_HetHFD_1":"20084.35197","SP_HetHFD_2":"210854.8121","SP_HetHFD_3":"20004.76698","SP_HetHFD_4":"167730.5387","SP_HetHFD_5":"32964.93171","SP_HetHFD_6":"284924.5179","SP_WTCD_1":"26277.31815","SP_WTCD_2":"28802.65203","SP_WTCD_3":"182338.8103","SP_WTCD_4":"26010.66909","SP_WTCD_5":"34546.98489","SP_WTCD_6":"26100.46527","SP_WTHFD_1":"304212.4227","SP_WTHFD_2":"14424.57219","SP_WTHFD_3":"15680.52816","SP_WTHFD_4":"13204.6634","SP_WTHFD_5":"15922.27589","SP_WTHFD_6":"15170.82189"},{"Metabolite":"Alanylglycine;Ureidoisobutyric 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Acid;dimethadione","SP_HetCD_1":"47578.01314","SP_HetCD_2":"24958.8938","SP_HetCD_3":"16284.13161","SP_HetCD_4":"40976.97341","SP_HetCD_5":"23743.65279","SP_HetCD_6":"20726.33065","SP_HetHFD_1":"3594.819037","SP_HetHFD_2":"24816.5066","SP_HetHFD_3":"23665.63757","SP_HetHFD_4":"29407.31515","SP_HetHFD_5":"92843.15235","SP_HetHFD_6":"38315.56169","SP_WTCD_1":"68162.09799","SP_WTCD_2":"40406.27917","SP_WTCD_3":"41618.90429","SP_WTCD_4":"23612.8727","SP_WTCD_5":"25032.36385","SP_WTCD_6":"55036.47989","SP_WTHFD_1":"31483.22461","SP_WTHFD_2":"3977.003636","SP_WTHFD_3":"30798.91273","SP_WTHFD_4":"23672.9479","SP_WTHFD_5":"19429.17357","SP_WTHFD_6":"24327.48995"},{"Metabolite":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic 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"Metabolites":[{"Metabolite":"1-Methyladenosine","HMDB":"HMDB0003331"},{"Metabolite":"1-Methylnicotinamide","HMDB":"HMDB0000699"},{"Metabolite":"2-Hydroxycaproic acid","HMDB":"HMDB0001624"},{"Metabolite":"2-Hydroxyvaleric acid","HMDB":"HMDB0001863"},{"Metabolite":"3-Hydroxymethylglutaric acid","HMDB":"HMDB0000355"},{"Metabolite":"3-Methylhistidine","HMDB":"HMDB0000479"},{"Metabolite":"3-Phosphoglyceric acid","HMDB":"HMDB0000807"},{"Metabolite":"4-Hydroxyproline","HMDB":"HMDB0000725"},{"Metabolite":"4-Pyridoxic acid","HMDB":"HMDB0000017"},{"Metabolite":"4-Trimethylammoniobutanoic acid","HMDB":"HMDB0001161"},{"Metabolite":"6-Phosphogluconic acid","HMDB":"HMDB0001316"},{"Metabolite":"6-Phosphonoglucono-D-lactone","HMDB":"HMDB0001127"},{"Metabolite":"Acetyl-CoA","HMDB":"HMDB0001206"},{"Metabolite":"Acetylcysteine","HMDB":"HMDB0001890"},{"Metabolite":"Adenine","HMDB":"HMDB0000034"},{"Metabolite":"Adenosine","HMDB":"HMDB0000050"},{"Metabolite":"Adenosine monophosphate","HMDB":"HMDB0000045"},{"Metabolite":"Adenosine triphosphate","HMDB":"HMDB0000538"},{"Metabolite":"ADP","HMDB":"HMDB0001341"},{"Metabolite":"ADP-glucose","HMDB":"HMDB0006557"},{"Metabolite":"AICAR","HMDB":"HMDB0001517"},{"Metabolite":"Allantoin","HMDB":"HMDB0000462"},{"Metabolite":"Aminoadipic acid","HMDB":"HMDB0000510"},{"Metabolite":"Argininosuccinic acid","HMDB":"HMDB0000052"},{"Metabolite":"Ascorbic acid","HMDB":"HMDB0000044"},{"Metabolite":"Asymmetric dimethylarginine","HMDB":"HMDB0001539"},{"Metabolite":"Betaine","HMDB":"HMDB0000043"},{"Metabolite":"Butyrylcarnitine","HMDB":"HMDB0002013"},{"Metabolite":"Caprylic acid","HMDB":"HMDB0000482"},{"Metabolite":"Carnosine","HMDB":"HMDB0000033"},{"Metabolite":"CDP-Ethanolamine","HMDB":"HMDB0001564"},{"Metabolite":"Choline","HMDB":"HMDB0000097"},{"Metabolite":"cis-Aconitic acid","HMDB":"HMDB0000072"},{"Metabolite":"Citicoline","HMDB":"HMDB0001413"},{"Metabolite":"Citric acid","HMDB":"HMDB0000094"},{"Metabolite":"Citrulline","HMDB":"HMDB0000904"},{"Metabolite":"Creatine","HMDB":"HMDB0000064"},{"Metabolite":"Creatinine","HMDB":"HMDB0000562"},{"Metabolite":"Cytidine","HMDB":"HMDB0000089"},{"Metabolite":"Cytidine monophosphate","HMDB":"HMDB0000095"},{"Metabolite":"Cytosine","HMDB":"HMDB0000630"},{"Metabolite":"D-2-Hydroxyglutaric acid","HMDB":"HMDB0000606"},{"Metabolite":"D-Fructose","HMDB":"HMDB0000660"},{"Metabolite":"D-Glucose","HMDB":"HMDB0000122"},{"Metabolite":"D-Glucuronic acid","HMDB":"HMDB0000127"},{"Metabolite":"D-Glyceraldehyde 3-phosphate","HMDB":"HMDB0001112"},{"Metabolite":"D-Ribose","HMDB":"HMDB0000283"},{"Metabolite":"D-Ribose 5-phosphate","HMDB":"HMDB0001548"},{"Metabolite":"D-Ribulose 5-phosphate","HMDB":"HMDB0000618"},{"Metabolite":"D-Sedoheptulose 7-phosphate","HMDB":"HMDB0001068"},{"Metabolite":"Deoxyuridine","HMDB":"HMDB0000012"},{"Metabolite":"FAD","HMDB":"HMDB0001248"},{"Metabolite":"Fructose 6-phosphate","HMDB":"HMDB0000124"},{"Metabolite":"Fumaric acid","HMDB":"HMDB0000134"},{"Metabolite":"Galactonic acid","HMDB":"HMDB0000565"},{"Metabolite":"Gluconic acid","HMDB":"HMDB0000625"},{"Metabolite":"Glucosamine","HMDB":"HMDB0001514"},{"Metabolite":"Glucosamine 6-phosphate","HMDB":"HMDB0001254"},{"Metabolite":"Glucose 6-phosphate","HMDB":"HMDB0001401"},{"Metabolite":"Glutathione","HMDB":"HMDB0000125"},{"Metabolite":"Glycerol 3-phosphate","HMDB":"HMDB0000126"},{"Metabolite":"Glycerophosphocholine","HMDB":"HMDB0000086"},{"Metabolite":"Glycine","HMDB":"HMDB0000123"},{"Metabolite":"Guanidoacetic acid","HMDB":"HMDB0000128"},{"Metabolite":"Guanine","HMDB":"HMDB0000132"},{"Metabolite":"Guanosine","HMDB":"HMDB0000133"},{"Metabolite":"Guanosine monophosphate","HMDB":"HMDB0001397"},{"Metabolite":"Hexanoylcarnitine","HMDB":"HMDB0000705"},{"Metabolite":"Hippuric 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acid","HMDB":"HMDB0000148"},{"Metabolite":"L-Glutamine","HMDB":"HMDB0000641"},{"Metabolite":"L-Glyceric acid","HMDB":"HMDB0006372"},{"Metabolite":"L-Histidine","HMDB":"HMDB0000177"},{"Metabolite":"L-Homoserine","HMDB":"HMDB0000719"},{"Metabolite":"L-Isoleucine","HMDB":"HMDB0000172"},{"Metabolite":"L-Kynurenine","HMDB":"HMDB0000684"},{"Metabolite":"L-Lactic acid","HMDB":"HMDB0000190"},{"Metabolite":"L-Leucine","HMDB":"HMDB0000687"},{"Metabolite":"L-Lysine","HMDB":"HMDB0000182"},{"Metabolite":"L-Methionine","HMDB":"HMDB0000696"},{"Metabolite":"L-Phenylalanine","HMDB":"HMDB0000159"},{"Metabolite":"L-Pipecolic acid","HMDB":"HMDB0000716"},{"Metabolite":"L-Proline","HMDB":"HMDB0000162"},{"Metabolite":"L-Serine","HMDB":"HMDB0000187"},{"Metabolite":"L-Threonine","HMDB":"HMDB0000167"},{"Metabolite":"L-Tryptophan","HMDB":"HMDB0000929"},{"Metabolite":"L-Tyrosine","HMDB":"HMDB0000158"},{"Metabolite":"L-Valine","HMDB":"HMDB0000883"},{"Metabolite":"Malic acid","HMDB":"HMDB0000744"},{"Metabolite":"N-Acetyl-D-glucosamine","HMDB":"HMDB0000215"},{"Metabolite":"N-Acetyl-glucosamine 1-phosphate","HMDB":"HMDB0001367"},{"Metabolite":"N-Acetyl-L-alanine","HMDB":"HMDB0000766"},{"Metabolite":"N-Acetyl-L-aspartic acid","HMDB":"HMDB0000812"},{"Metabolite":"N-Acetyl-L-methionine","HMDB":"HMDB0011745"},{"Metabolite":"N-Acetylasparagine","HMDB":"HMDB0006028"},{"Metabolite":"N-Acetylaspartylglutamic acid","HMDB":"HMDB0001067"},{"Metabolite":"N-Acetylglutamic acid","HMDB":"HMDB0001138"},{"Metabolite":"N-Acetylglutamine","HMDB":"HMDB0006029"},{"Metabolite":"N-Acetylornithine","HMDB":"HMDB0003357"},{"Metabolite":"N-Acetylputrescine","HMDB":"HMDB0002064"},{"Metabolite":"N-acetyltryptophan","HMDB":"HMDB0013713"},{"Metabolite":"N-Formyl-L-methionine","HMDB":"HMDB0001015"},{"Metabolite":"N6-Acetyl-L-lysine","HMDB":"HMDB0000206"},{"Metabolite":"N6,N6,N6-Trimethyl-L-lysine","HMDB":"HMDB0001325"},{"Metabolite":"NAD","HMDB":"HMDB0000902"},{"Metabolite":"NADP","HMDB":"HMDB0000217"},{"Metabolite":"Niacinamide","HMDB":"HMDB0001406"},{"Metabolite":"Nicotinamide riboside","HMDB":"HMDB0000855"},{"Metabolite":"O-Phosphoethanolamine","HMDB":"HMDB0000224"},{"Metabolite":"Ornithine","HMDB":"HMDB0000214"},{"Metabolite":"Orotic acid","HMDB":"HMDB0000226"},{"Metabolite":"Oxidized glutathione","HMDB":"HMDB0003337"},{"Metabolite":"Oxoglutaric acid","HMDB":"HMDB0000208"},{"Metabolite":"Palmitic acid","HMDB":"HMDB0000220"},{"Metabolite":"Pantothenic acid","HMDB":"HMDB0000210"},{"Metabolite":"Phosphocreatine","HMDB":"HMDB0001511"},{"Metabolite":"Phosphoenolpyruvic acid","HMDB":"HMDB0000263"},{"Metabolite":"Phosphorylcholine","HMDB":"HMDB0001565"},{"Metabolite":"Propionylcarnitine","HMDB":"HMDB0000824"},{"Metabolite":"Pyroglutamic acid","HMDB":"HMDB0000267"},{"Metabolite":"Pyruvic acid","HMDB":"HMDB0000243"},{"Metabolite":"Riboflavin","HMDB":"HMDB0000244"},{"Metabolite":"S-Adenosylhomocysteine","HMDB":"HMDB0000939"},{"Metabolite":"S-Adenosylmethionine","HMDB":"HMDB0001185"},{"Metabolite":"Succinic acid","HMDB":"HMDB0000254"},{"Metabolite":"Taurine","HMDB":"HMDB0000251"},{"Metabolite":"Thiamine","HMDB":"HMDB0000235"},{"Metabolite":"Thiamine monophosphate","HMDB":"HMDB0002666"},{"Metabolite":"Thymidine","HMDB":"HMDB0000273"},{"Metabolite":"Uracil","HMDB":"HMDB0000300"},{"Metabolite":"Ureidopropionic acid","HMDB":"HMDB0000026"},{"Metabolite":"Ureidosuccinic acid","HMDB":"HMDB0000828"},{"Metabolite":"Uric acid","HMDB":"HMDB0000289"},{"Metabolite":"Uridine","HMDB":"HMDB0000296"},{"Metabolite":"Uridine 5'-monophosphate","HMDB":"HMDB0000288"},{"Metabolite":"Uridine diphosphate-N-acetylglucosamine","HMDB":"HMDB0000290"},{"Metabolite":"Uridine diphosphate glucose","HMDB":"HMDB0000286"},{"Metabolite":"Uridine diphosphate glucuronic acid","HMDB":"HMDB0000935"},{"Metabolite":"Urocanic acid","HMDB":"HMDB0000301"},{"Metabolite":"Xanthine","HMDB":"HMDB0000292"},{"Metabolite":"3-Hydroxydodecanedioic acid;Dibutyl malate","HMDB":"HMDB0000413;HMDB0031696"},{"Metabolite":"1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione","HMDB":"HMDB0031670"},{"Metabolite":"D-glycero-L-galacto-Octulose","HMDB":"HMDB0029954"},{"Metabolite":"1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone","HMDB":"HMDB0031193;HMDB0006355"},{"Metabolite":"N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid","HMDB":"HMDB0000230;HMDB0000773"},{"Metabolite":"5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid","HMDB":"HMDB0030992;HMDB0030988"},{"Metabolite":"cis-Acetylacrylate;Norfuraneol","HMDB":"HMDB0060461;HMDB0031859"},{"Metabolite":"2-hydroxymexiletine;p-hydroxymexiletine","HMDB":"HMDB0060953;HMDB0060954"},{"Metabolite":"5-Butyltetrahydro-2-oxo-3-furancarboxylic acid;5-(2-Methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid.2","HMDB":"HMDB0030992;HMDB0030988"},{"Metabolite":"Muramic acid;N-(1-Deoxy-1-fructosyl)alanine","HMDB":"HMDB0003254;HMDB0038662"},{"Metabolite":"D-Ornithine","HMDB":"HMDB0003374"},{"Metabolite":"cis-Acetylacrylate;Norfuraneol.2","HMDB":"HMDB0060461;HMDB0031859"},{"Metabolite":"1-Methylhistidine","HMDB":"HMDB0000001"},{"Metabolite":"1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose","HMDB":"HMDB0034879"},{"Metabolite":"3-Hydroxydodecanedioic acid;Dibutyl malate.2","HMDB":"HMDB0000413;HMDB0031696"},{"Metabolite":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid","HMDB":"HMDB0000634;HMDB0000620;HMDB0033809;HMDB0002092;HMDB0061185;HMDB0000749;HMDB0059743;HMDB0060365;HMDB0013233"},{"Metabolite":"Malondialdehyde;Pyruvaldehyde;Acrylic acid","HMDB":"HMDB0006112;HMDB0001167;HMDB0031647"},{"Metabolite":"2-hydroxymexiletine;p-hydroxymexiletine.2","HMDB":"HMDB0060953;HMDB0060954"},{"Metabolite":"Piperidine","HMDB":"HMDB0034301"},{"Metabolite":"trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate","HMDB":"HMDB0013312;HMDB0004982;HMDB0000341;HMDB0038601;HMDB0032352;HMDB0034851"},{"Metabolite":"L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid","HMDB":"HMDB0060256;HMDB0000539;HMDB0000867;HMDB0060255;HMDB0059750"},{"Metabolite":"p-Chlorobenzene sulfonyl urea","HMDB":"HMDB0014026"},{"Metabolite":"L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2","HMDB":"HMDB0060256;HMDB0000539;HMDB0000867;HMDB0060255;HMDB0059750"},{"Metabolite":"p-Chlorobenzene sulfonyl urea.5","HMDB":"HMDB0014026"},{"Metabolite":"N-Acetyltaurine;Homocysteinesulfinic acid","HMDB":"HMDB0240253;HMDB0006462"},{"Metabolite":"p-Chlorobenzene sulfonyl urea.4","HMDB":"HMDB0014026"},{"Metabolite":"Casimiroin","HMDB":"HMDB0033349"},{"Metabolite":"Casimiroin.2","HMDB":"HMDB0033349"},{"Metabolite":"D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose","HMDB":"HMDB0038663"},{"Metabolite":"p-Chlorobenzene sulfonyl urea.3","HMDB":"HMDB0014026"},{"Metabolite":"Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.3","HMDB":"HMDB0003254;HMDB0038662"},{"Metabolite":"Malondialdehyde;Pyruvaldehyde;Acrylic acid.2","HMDB":"HMDB0006112;HMDB0001167;HMDB0031647"},{"Metabolite":"1-Methylhistidine.2","HMDB":"HMDB0000001"},{"Metabolite":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;Mesaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Gamma-delta-Dioxovaleric acid.2","HMDB":"HMDB0000634;HMDB0000620;HMDB0033809;HMDB0002092;HMDB0061185;HMDB0000749;HMDB0059743;HMDB0060365;HMDB0013233"},{"Metabolite":"D-glycero-L-galacto-Octulose.2","HMDB":"HMDB0029954"},{"Metabolite":"p-Chlorobenzene sulfonyl urea.2","HMDB":"HMDB0014026"},{"Metabolite":"Leucylproline;Isoleucylproline","HMDB":"HMDB0011175;HMDB0011174"},{"Metabolite":"1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose.2","HMDB":"HMDB0034879"},{"Metabolite":"Leucylproline;Isoleucylproline.2","HMDB":"HMDB0011175;HMDB0011174"},{"Metabolite":"D-Ornithine.2","HMDB":"HMDB0003374"},{"Metabolite":"1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione.2","HMDB":"HMDB0031670"},{"Metabolite":"N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.3","HMDB":"HMDB0000230;HMDB0000773"},{"Metabolite":"trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2","HMDB":"HMDB0013312;HMDB0004982;HMDB0000341;HMDB0038601;HMDB0032352;HMDB0034851"},{"Metabolite":"N-Acetyltaurine;Homocysteinesulfinic acid.3","HMDB":"HMDB0240253;HMDB0006462"},{"Metabolite":"1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2","HMDB":"HMDB0031193;HMDB0006355"},{"Metabolite":"Piperidine.4","HMDB":"HMDB0034301"},{"Metabolite":"D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.3","HMDB":"HMDB0038663"},{"Metabolite":"Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide","HMDB":"HMDB0014581;HMDB0033054;HMDB0031160;HMDB0033053"},{"Metabolite":"6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione","HMDB":"HMDB0061705;HMDB0014491;HMDB0000894;HMDB0061082"},{"Metabolite":"a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid","HMDB":"HMDB0039720"},{"Metabolite":"Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid","HMDB":"HMDB0000933;HMDB0030994"},{"Metabolite":"3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate","HMDB":"HMDB0033092;HMDB0032306"},{"Metabolite":"Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol","HMDB":"HMDB0000508;HMDB0002917;HMDB0001851;HMDB0000568;HMDB0033730"},{"Metabolite":"3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate","HMDB":"HMDB0000325;HMDB0061681;HMDB0040220"},{"Metabolite":"3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate","HMDB":"HMDB0000350;HMDB0000424;HMDB0029189"},{"Metabolite":"3-Oxoglutaric acid","HMDB":"HMDB0013701"},{"Metabolite":"Sulfolithocholylglycine;Sulfoglycolithocholate(2-)","HMDB":"HMDB0002639;HMDB0062801"},{"Metabolite":"D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose.2","HMDB":"HMDB0038663"},{"Metabolite":"trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-)","HMDB":"HMDB0000958;HMDB0001264;HMDB0062706"},{"Metabolite":"3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.3","HMDB":"HMDB0000350;HMDB0000424;HMDB0029189"},{"Metabolite":"Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline","HMDB":"HMDB0028686;HMDB0003764;HMDB0006248;HMDB0036301;HMDB0028872;HMDB0029040"},{"Metabolite":"a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid.2","HMDB":"HMDB0039720"},{"Metabolite":"3-Hydroxysuberic acid;6-(2-Hydroxyethoxy)-6-oxohexanoic acid;Diethyl L-malate.2","HMDB":"HMDB0000325;HMDB0061681;HMDB0040220"},{"Metabolite":"Piperidine.3","HMDB":"HMDB0034301"},{"Metabolite":"trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2","HMDB":"HMDB0000958;HMDB0001264;HMDB0062706"},{"Metabolite":"Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;N-gamma-L-Glutamyl-D-alanine;Hydroxyprolyl-Serine;Serinyl-Hydroxyproline.2","HMDB":"HMDB0028686;HMDB0003764;HMDB0006248;HMDB0036301;HMDB0028872;HMDB0029040"},{"Metabolite":"Sulfolithocholylglycine;Sulfoglycolithocholate(2-).2","HMDB":"HMDB0002639;HMDB0062801"},{"Metabolite":"3-Oxoglutaric acid.2","HMDB":"HMDB0013701"},{"Metabolite":"Traumatic acid;5-Heptyltetrahydro-2-oxo-3-furancarboxylic acid.2","HMDB":"HMDB0000933;HMDB0030994"},{"Metabolite":"Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil","HMDB":"HMDB0002820;HMDB0002271;HMDB0004988;HMDB0002144"},{"Metabolite":"L-Homocysteic acid","HMDB":"HMDB0002205"},{"Metabolite":"Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.3","HMDB":"HMDB0002820;HMDB0002271;HMDB0004988;HMDB0002144"},{"Metabolite":"L-Homocysteic acid.2","HMDB":"HMDB0002205"},{"Metabolite":"3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.3","HMDB":"HMDB0033092;HMDB0032306"},{"Metabolite":"N-Acetyltaurine;Homocysteinesulfinic acid.2","HMDB":"HMDB0240253;HMDB0006462"},{"Metabolite":"Allopurinol;Ethyl isopropyl disulfide;1-Pentanesulfenothioic acid;Ethyl propyl disulfide.2","HMDB":"HMDB0014581;HMDB0033054;HMDB0031160;HMDB0033053"},{"Metabolite":"Ribitol;D-Xylitol;L-Arabitol;D-Arabitol;L-2-(Hydroxymethyl)-1,2,3,4-butanetetrol.2","HMDB":"HMDB0000508;HMDB0002917;HMDB0001851;HMDB0000568;HMDB0033730"},{"Metabolite":"6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione.2","HMDB":"HMDB0061705;HMDB0014491;HMDB0000894;HMDB0061082"},{"Metabolite":"Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil.2","HMDB":"HMDB0002820;HMDB0002271;HMDB0004988;HMDB0002144"},{"Metabolite":"3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid;Diethyl oxalpropionate.2","HMDB":"HMDB0033092;HMDB0032306"},{"Metabolite":"Trifluoroacetic acid","HMDB":"HMDB0014118"},{"Metabolite":"D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal","HMDB":"HMDB0003411;HMDB0030409;HMDB0034208;HMDB0012880"},{"Metabolite":"N-Succinyl-L,L-2,6-diaminopimelate","HMDB":"HMDB0012267"},{"Metabolite":"1-(sn-Glycero-3-phospho)-1D-myo-inositol","HMDB":"HMDB0011649"},{"Metabolite":"N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid.2","HMDB":"HMDB0000230;HMDB0000773"},{"Metabolite":"1-(sn-Glycero-3-phospho)-1D-myo-inositol.2","HMDB":"HMDB0011649"},{"Metabolite":"Trifluoroacetic acid.2","HMDB":"HMDB0014118"},{"Metabolite":"N-Succinyl-L,L-2,6-diaminopimelate.2","HMDB":"HMDB0012267"},{"Metabolite":"D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal.2","HMDB":"HMDB0003411;HMDB0030409;HMDB0034208;HMDB0012880"},{"Metabolite":"Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate","HMDB":"HMDB0001429;HMDB0002142;HMDB0002105;HMDB0000973"},{"Metabolite":"Threonic acid;Erythronic acid;L-threonic Acid","HMDB":"HMDB0000943;HMDB0000613;HMDB0062620"},{"Metabolite":"Threonic acid;Erythronic acid;L-threonic Acid.2","HMDB":"HMDB0000943;HMDB0000613;HMDB0062620"},{"Metabolite":"Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2","HMDB":"HMDB0001429;HMDB0002142;HMDB0002105;HMDB0000973"},{"Metabolite":"Muramic acid;N-(1-Deoxy-1-fructosyl)alanine.2","HMDB":"HMDB0003254;HMDB0038662"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)histidine","HMDB":"HMDB0037839"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)histidine.2","HMDB":"HMDB0037839"},{"Metabolite":"Hirsutin","HMDB":"HMDB0035923"},{"Metabolite":"Beta-Guanidinopropionic acid","HMDB":"HMDB0013222"},{"Metabolite":"Beta-Guanidinopropionic acid.2","HMDB":"HMDB0013222"},{"Metabolite":"Beta-Guanidinopropionic acid.3","HMDB":"HMDB0013222"},{"Metabolite":"Beta-Guanidinopropionic acid.4","HMDB":"HMDB0013222"},{"Metabolite":"3-Hydroxysebacic acid;2-Hydroxydecanedioic acid;5-Hydroxysebacate.2","HMDB":"HMDB0000350;HMDB0000424;HMDB0029189"},{"Metabolite":"Hirsutin.2","HMDB":"HMDB0035923"},{"Metabolite":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;N-Acryloylglycine;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid","HMDB":"HMDB0001369;HMDB0000805;HMDB0002234;HMDB0060262;HMDB0001843;HMDB0061093;HMDB0062585"},{"Metabolite":"Azelaic acid;Nonate;3-Methylsuberic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;2,4-Dimethylpimelic acid;(+/-)-Methyl 5-acetoxyhexanoate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;Diethyl methylsuccinate;Diethyl glutarate;Butyl ethyl malonate","HMDB":"HMDB0000784;HMDB0011717;HMDB0059783;HMDB0032200;HMDB0059760;HMDB0032387;HMDB0032258;HMDB0059814;HMDB0059879;HMDB0036233"},{"Metabolite":"Sucrose;D-Maltose;Isomaltose;Alpha-Lactose;Lactulose;Trehalose;DEAE-cellulose;Cellobiose;Melibiose;Turanose;Kojibiose;Maltulose;Epimelibiose;6-({[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}methyl)oxane-2,3,4,5-tetrol;Allolactose;Galabiose;Fagopyritol A1;Neotrehalose;2-{[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol;Inulobiose;beta-Lactose;Trehalulose;Glucose-1,3-mannose oligosaccharide;Sakebiose;Glucinol;Mannobiose;3-b-Galactopyranosyl glucose;Galactinol","HMDB":"HMDB0000258;HMDB0000163;HMDB0002923;HMDB0000186;HMDB0000740;HMDB0000975;HMDB0033368;HMDB0000055;HMDB0000048;HMDB0011740;HMDB0011742;HMDB0029919;HMDB0006792;HMDB0133305;HMDB0038489;HMDB0029902;HMDB0039876;HMDB0029880;HMDB0125600;HMDB0029898;HMDB0041627;HMDB0039727;HMDB0060068;HMDB0029882;HMDB0039237;HMDB0029933;HMDB0006603;HMDB0005826"},{"Metabolite":"3-O-Feruloylquinic acid;3-O-Caffeoyl-1-O-methylquinic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3-O-Caffeoyl-4-O-methylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid","HMDB":"HMDB0030669;HMDB0039959;HMDB0135673;HMDB0126420;HMDB0126418;HMDB0039960;HMDB0127742;HMDB0126419;HMDB0126422;HMDB0129399;HMDB0126421;HMDB0126423"},{"Metabolite":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate;N4-Acetylaminobutanal","HMDB":"HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0059649;HMDB0062225;HMDB0094697;HMDB0062767;HMDB0004226"},{"Metabolite":"Taurocholic acid;Taurohyocholate;Tauro-b-muricholic acid;Tauroursocholic acid;Taurallocholic acid","HMDB":"HMDB0000036;HMDB0011637;HMDB0000932;HMDB0000889;HMDB0000922"},{"Metabolite":"L-2-Amino-3-(1-pyrazolyl)propanoic acid","HMDB":"HMDB0034267"},{"Metabolite":"3-Hydroxytetradecanedioic acid","HMDB":"HMDB0000394"},{"Metabolite":"D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate","HMDB":"HMDB0001311;HMDB0000700;HMDB0001051;HMDB0001882;HMDB0041929;HMDB0031232;HMDB0144295;HMDB0029580"},{"Metabolite":"Diethanolamine","HMDB":"HMDB0004437"},{"Metabolite":"D-Lactic acid;Hydroxypropionic acid;Glyceraldehyde;Dihydroxyacetone;Methoxyacetic acid;Monoethyl carbonate;2-hydroxypropanoic acid;Dimethyl carbonate.2","HMDB":"HMDB0001311;HMDB0000700;HMDB0001051;HMDB0001882;HMDB0041929;HMDB0031232;HMDB0144295;HMDB0029580"},{"Metabolite":"L-2-Amino-3-(1-pyrazolyl)propanoic acid.2","HMDB":"HMDB0034267"},{"Metabolite":"6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine;Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+)","HMDB":"HMDB0033249;HMDB0000734;HMDB0040768"},{"Metabolite":"Edetic Acid","HMDB":"HMDB0015109"},{"Metabolite":"DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine","HMDB":"HMDB0000991;HMDB0014375;HMDB0015654;HMDB0013305"},{"Metabolite":"3-Methylglutaconic acid;trans-2-Hexenedioic acid;Dimethyl fumarate;Ethyl hydrogen fumarate;Maleic acid homopolymer;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone","HMDB":"HMDB0000522;HMDB0013311;HMDB0031257;HMDB0040207;HMDB0036232;HMDB0002266;HMDB0000393;HMDB0029171"},{"Metabolite":"Sulfate","HMDB":"HMDB0001448"},{"Metabolite":"Chloramphenicol","HMDB":"HMDB0014589"},{"Metabolite":"Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane","HMDB":"HMDB0004827;HMDB0030410;HMDB0038949"},{"Metabolite":"Citbismine C","HMDB":"HMDB0041435"},{"Metabolite":"2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1,5-Anhydrofructose;D-1-Deoxy-erythro-hexo-2,3-diulose;Diethyl dicarbonate","HMDB":"HMDB0000321;HMDB0000640;HMDB0000345;HMDB0059737;HMDB0059758;HMDB0000368;HMDB0041561;HMDB0029934;HMDB0032873"},{"Metabolite":"Ketoleucine;3-Methyl-2-oxovaleric acid;2-Methyl-3-ketovaleric acid;4-Acetylbutyrate;Adipate semialdehyde;2-Ketohexanoic acid;Mevalonolactone;Acetoin acetate;Sherry lactone;Ethyl acetoacetate;(4S,6S)-3,4,5,6-Tetrahydro-4-hydroxy-6-methyl-2H-pyran-2-one;Methyl levulinate;5-Ethoxy-4,5-dihydro-2(3H)furanone;3-Oxohexanoic acid","HMDB":"HMDB0000695;HMDB0000491;HMDB0000408;HMDB0061881;HMDB0012882;HMDB0001864;HMDB0006024;HMDB0033698;HMDB0033286;HMDB0031216;HMDB0033302;HMDB0041602;HMDB0031214;HMDB0010717"},{"Metabolite":"Formiminoglutamic acid","HMDB":"HMDB0000854"},{"Metabolite":"Serotonin;Cotinine","HMDB":"HMDB0000259;HMDB0001046"},{"Metabolite":"Phenol sulphate","HMDB":"HMDB0060015"},{"Metabolite":"Undecanedioic acid;Butyl butyryllactate","HMDB":"HMDB0000888;HMDB0037137"},{"Metabolite":"Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;Diethyl succinate;3-Methylpimelic acid;2-Propylglutaric acid;Ethyladipic acid","HMDB":"HMDB0000893;HMDB0059727;HMDB0041606;HMDB0033838;HMDB0059757;HMDB0060684;HMDB0002023"},{"Metabolite":"Tartaric acid;D-Tartaric acid;3-carboxy-2,3-dihydroxypropanoate","HMDB":"HMDB0000956;HMDB0029878;HMDB0062642"},{"Metabolite":"Pelargonic acid;Butyl 3-methylbutanoate;Butyl 2-methylbutanoate;Propyl hexanoate;xi-2-Ethylheptanoic acid;Oenanthic ether;Butyl pentanoate;Isoamyl butyrate;Hexyl propionate;2-Methylpropyl 3-methylbutanoate;3-(Hydroxymethyl)-2-octanone;Methyl caprylate;4-Methyloctanoic acid;Isopropyl hexanoate;Octyl formate;1-Hydroxy-3-nonanone;1-Methylbutyl butanoate;Pentyl butanoate;Ethyl 5-methylhexanoate;Heptyl acetate;3-Octyl formate;5-Methylhexyl acetate;3-Heptyl acetate;4-Methyl-2-pentyl-1,3-dioxolane;3-Methylbutyl 2-methylpropanoate","HMDB":"HMDB0000847;HMDB0032042;HMDB0039216;HMDB0034165;HMDB0030331;HMDB0000798;HMDB0040295;HMDB0040221;HMDB0034606;HMDB0038040;HMDB0037164;HMDB0031291;HMDB0031557;HMDB0040430;HMDB0038603;HMDB0037143;HMDB0039219;HMDB0034162;HMDB0059822;HMDB0031480;HMDB0032454;HMDB0032406;HMDB0032309;HMDB0037288;HMDB0036234"},{"Metabolite":"3-Methyl sulfolene","HMDB":"HMDB0059667"},{"Metabolite":"p-Cresol sulfate;Benzyl sulfate","HMDB":"HMDB0011635;HMDB0034782"},{"Metabolite":"(2S)-2-Butanol O-[b-D-Apiofuranosyl-(1->6)-b-D-glucopyranoside]","HMDB":"HMDB0041255"},{"Metabolite":"Malathion;2,8-Di-O-methylellagic acid;2,3-Di-O-methylellagic acid;Blighinone;Inosine 2',3'-cyclic phosphate","HMDB":"HMDB0014910;HMDB0041396;HMDB0041395;HMDB0030643;HMDB0011680"},{"Metabolite":"Sebacic acid;R-2-Hydroxy-3-methylbutanoic acid 3-Methylbutanoyl;3-Methylazelaic acid;2-Ethylsuberic acid;Heptylmalonic acid;Oxalic acid dibutyl ester;N-lactoyl-Isoeucine","HMDB":"HMDB0000792;HMDB0031510;HMDB0059754;HMDB0059708;HMDB0059719;HMDB0040196;HMDB0062180"},{"Metabolite":"Garcinia acid","HMDB":"HMDB0031159"},{"Metabolite":"m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate","HMDB":"HMDB0001713;HMDB0002035;HMDB0000205;HMDB0041592;HMDB0030677;HMDB0134028;HMDB0134030;HMDB0002641;HMDB0141768;HMDB0126545;HMDB0125104;HMDB0134029;HMDB0141767;HMDB0129375;HMDB0128076;HMDB0134031;HMDB0012225;HMDB0062605;HMDB0062774;HMDB0062655"},{"Metabolite":"2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate","HMDB":"HMDB0003903;HMDB0031233"},{"Metabolite":"Mexiletine;Methylephedrine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine","HMDB":"HMDB0014523;HMDB0041932;HMDB0039675;HMDB0039676;HMDB0039684;HMDB0039686;HMDB0039683;HMDB0039677;HMDB0041930"},{"Metabolite":"Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;(S)-Methylmalonic acid semialdehyde;4-Hydroxycrotonic acid;2-Methyl-3-oxopropanoic acid","HMDB":"HMDB0000060;HMDB0000005;HMDB0031646;HMDB0001259;HMDB0002217;HMDB0003381;HMDB0001172"},{"Metabolite":"S-(Formylmethyl)glutathione","HMDB":"HMDB0060507"},{"Metabolite":"gamma-Glutamylleucine;gamma-Glutamylisoleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine","HMDB":"HMDB0011171;HMDB0011170;HMDB0028906;HMDB0028928;HMDB0028823;HMDB0028822"},{"Metabolite":"3-Methylglutarylcarnitine;O-Adipoylcarnitine","HMDB":"HMDB0000552;HMDB0061677"},{"Metabolite":"Anserine;Homocarnosine;Balenine","HMDB":"HMDB0000194;HMDB0000745;HMDB0005769"},{"Metabolite":"Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate","HMDB":"HMDB0000661;HMDB0001844;HMDB0000622;HMDB0061879;HMDB0002001;HMDB0040531;HMDB0033958;HMDB0029884;HMDB0000576;HMDB0006833;HMDB0006855"},{"Metabolite":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid","HMDB":"HMDB0000634;HMDB0000620;HMDB0033809;HMDB0002092;HMDB0061185;HMDB0060365;HMDB0000749;HMDB0059743;HMDB0013233"},{"Metabolite":"2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;3-Methyl-3-hydroxypentanedioate;2-Hydroxy-2-ethylsuccinic acid;2(R)-Hydroxyadipic acid;D-1-Deoxy-erythro-hexo-2,3-diulose;D-1,5-Anhydrofructose;Diethyl dicarbonate","HMDB":"HMDB0000321;HMDB0000640;HMDB0000345;HMDB0059737;HMDB0059758;HMDB0000368;HMDB0029934;HMDB0041561;HMDB0032873"},{"Metabolite":"11,12-Epoxyeicosatrienoic acid;5-HETE;12-HETE;15(S)-HETE;20-Hydroxyeicosatetraenoic acid;13-HETE;11(R)-HETE;8-HETE;9-HETE;16(R)-HETE;Crispane;(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol;8alpha,13R-Epoxy-14-labden-19-oic acid;12 Hydroxy arachidonic acid;(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol;Annoglabasin E;10-HETE;14R,15S-EpETrE;Ucriol;17-HETE;8-hydroxy-5Z,9E,11Z,14Z-eicosatetraenoic acid;11,12-EpETrE;7-HETE;12S-hydroxy-5E,8Z,10Z,14Z-eicosatetraenoic acid;15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid;18-Hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acid;19(S)-HETE;14,15-Epoxy-5,8,11-eicosatrienoic acid;5,6-Epoxy-8,11,14-eicosatrienoic acid;8,9-Epoxyeicosatrienoic acid;18-Hydroxyarachidonic acid;12,15-Epoxy-13,14-dimethyloctadeca-10,12,14-trienoic acid;12,15-Epoxy-13,14-dimethyloctadeca-12,14,16-trienoic acid;2-Hydroxy-6-tridecylbenzoic acid","HMDB":"HMDB0004673;HMDB0011134;HMDB0006111;HMDB0003876;HMDB0005998;HMDB0012567;HMDB0004682;HMDB0004679;HMDB0010222;HMDB0004680;HMDB0038694;HMDB0038689;HMDB0036810;HMDB0060101;HMDB0038688;HMDB0036262;HMDB0012508;HMDB0002283;HMDB0036705;HMDB0012598;HMDB0062433;HMDB0010409;HMDB0062431;HMDB0062287;HMDB0062294;HMDB0062302;HMDB0011136;HMDB0004264;HMDB0002190;HMDB0002232;HMDB0006245;HMDB0112068;HMDB0112071;HMDB0038520"},{"Metabolite":"8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid;Fructoseglycine;N-(1-Deoxy-1-fructosyl)glycine","HMDB":"HMDB0013639;HMDB0060278;HMDB0037848"},{"Metabolite":"Caproylcholine","HMDB":"HMDB0013224"},{"Metabolite":"(S)-Homostachydrine;Tranexamic Acid","HMDB":"HMDB0033433;HMDB0014447"},{"Metabolite":"Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone;D-threo-Isocitric acid","HMDB":"HMDB0000193;HMDB0005971;HMDB0062803;HMDB0033717;HMDB0006511;HMDB0041862;HMDB0001874"},{"Metabolite":"Methyl 1-(2-propenylsulfinyl)propyl disulfide;Methyl 1-(1-propenylsulfinyl)propyl disulfide;1-(Methylsulfinyl)propyl 2-propenyl disulfide;1-(Methylsulfinyl)propyl 1-propenyl disulfide","HMDB":"HMDB0033076;HMDB0033077;HMDB0033059;HMDB0033058"},{"Metabolite":"2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;Methyl nicotinate;m-Aminobenzoic acid;2-Pyridylacetic acid","HMDB":"HMDB0001123;HMDB0000875;HMDB0001392;HMDB0001538;HMDB0015687;HMDB0029806;HMDB0001891;HMDB0060722"},{"Metabolite":"N-Undecanoylglycine","HMDB":"HMDB0013286"},{"Metabolite":"Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol","HMDB":"HMDB0000925;HMDB0012136;HMDB0142449;HMDB0140038"},{"Metabolite":"Glutarylcarnitine","HMDB":"HMDB0013130"},{"Metabolite":"Linoleic acid;Dihomolinoleic acid;9E,11E-Octadecadienoic acid;Ethyl 2E,4Z-hexadecadienoate;Mangiferic acid;5-Octadecynoic acid;Linalyl caprylate;Linoelaidic acid;6Z,9Z-octadecadienoic acid;Octadecadienoate;Bovinic acid;10E,12Z-Octadecadienoic acid","HMDB":"HMDB0000673;HMDB0061864;HMDB0005047;HMDB0031051;HMDB0029800;HMDB0031097;HMDB0030430;HMDB0006270;HMDB0062238;HMDB0062784;HMDB0003797;HMDB0005048"},{"Metabolite":"Xanthosine","HMDB":"HMDB0000299"},{"Metabolite":"2,4-Diamino-6-nitrotoluene;(S)-Spinacine","HMDB":"HMDB0060362;HMDB0029873"},{"Metabolite":"3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;Epinine;4-Hydroxynorephedrine;a-Methyldopamine;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol","HMDB":"HMDB0000022;HMDB0012162;HMDB0002182;HMDB0004826;HMDB0014748;HMDB0015165;HMDB0039837;HMDB0038869;HMDB0032020;HMDB0060592;HMDB0060807;HMDB0062811;HMDB0062266"},{"Metabolite":"2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one","HMDB":"HMDB0000617;HMDB0000444;HMDB0032994;HMDB0039437"},{"Metabolite":"I(-)","HMDB":"HMDB0059634"},{"Metabolite":"5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one","HMDB":"HMDB0136142;HMDB0130259;HMDB0135167;HMDB0129269;HMDB0130260;HMDB0130059;HMDB0136138"},{"Metabolite":"Ophthalmic acid","HMDB":"HMDB0005765"},{"Metabolite":"D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;Aldehydo-D-xylose;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;2-Deoxypentonic acid;beta-Arabinose;D-Apiose","HMDB":"HMDB0000098;HMDB0000646;HMDB0001644;HMDB0029942;HMDB0003371;HMDB0000751;HMDB0012325;HMDB0000366;HMDB0060254;HMDB0127617;HMDB0059753;HMDB0094694;HMDB0029941"},{"Metabolite":"3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;2-(2-Furanyl)-3-piperidinol;Norpandamarilactonine A;D-synephrine;1-(3-Pyridinyl)-1,4-butanediol;a-Methyldopamine;4-Hydroxynorephedrine","HMDB":"HMDB0000022;HMDB0012162;HMDB0002182;HMDB0004826;HMDB0014748;HMDB0015165;HMDB0032020;HMDB0039837;HMDB0038869;HMDB0062811;HMDB0062266;HMDB0060807;HMDB0060592"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)threonine","HMDB":"HMDB0037843"},{"Metabolite":"Cinnamyl benzoate;Benzyl cinnamate;4'-Methoxychalcone;15(R)-hydroperoxy-EPE","HMDB":"HMDB0029700;HMDB0040286;HMDB0032585;HMDB0062295"},{"Metabolite":"Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine","HMDB":"HMDB0013127;HMDB0062735"},{"Metabolite":"2,4,6-Triethyl-1,3,5-trioxane;(±)-3-Hydroxynonanoic acid","HMDB":"HMDB0034040;HMDB0031513"},{"Metabolite":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;5-Oxoprolinate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione","HMDB":"HMDB0001369;HMDB0000805;HMDB0001843;HMDB0002234;HMDB0060262;HMDB0062585;HMDB0061093"},{"Metabolite":"alpha-Ketoisovaleric acid;Levulinic acid;2-Methylacetoacetic acid;2-Oxovaleric acid;(2E)-4-hydroxy-3-methylbut-2-enoic acid;4-hydroxy-3-methylbut-2-enoic acid;2-(hydroxymethyl)but-2-enoic acid;(2Z)-2-(hydroxymethyl)but-2-enoic acid;Glutarate semialdehyde;Ethyl pyruvate;Methylacetoacetic acid;Acetoxyacetone;2,3-dimethyloxirane-2-carboxylic acid;dimethyloxirane-2-carboxylic acid;4-hydroxy-2-methylbut-2-enoic acid;3-keto-2-Methylbutyrate","HMDB":"HMDB0000019;HMDB0000720;HMDB0003771;HMDB0001865;HMDB0128943;HMDB0128916;HMDB0132477;HMDB0129096;HMDB0012233;HMDB0031643;HMDB0000310;HMDB0034466;HMDB0129098;HMDB0128917;HMDB0129097;HMDB0029172"},{"Metabolite":"1-Isothiocyanato-7-(methylsulfinyl)heptane","HMDB":"HMDB0038441"},{"Metabolite":"Tromethamine","HMDB":"HMDB0240288"},{"Metabolite":"Phenmetrazine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;(S)-Valerianine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone","HMDB":"HMDB0014968;HMDB0040019;HMDB0033484;HMDB0039664;HMDB0040027;HMDB0040014;HMDB0040020;HMDB0040018;HMDB0040017;HMDB0039667;HMDB0041923"},{"Metabolite":"LysoPC(18:2(9Z,12Z));2-linoleoyl-sn-glycero-3-phosphocholine","HMDB":"HMDB0010386;HMDB0062711"},{"Metabolite":"Chloroform","HMDB":"HMDB0029596"},{"Metabolite":"4-Guanidinobutanoic acid","HMDB":"HMDB0003464"},{"Metabolite":"N,O-Didesmethyltramadol;N,N-Didesmethyltramadol","HMDB":"HMDB0060851;HMDB0060849"},{"Metabolite":"N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide","HMDB":"HMDB0004193;HMDB0004194"},{"Metabolite":"Acetoacetic acid;2-Ketobutyric acid;Acetic anhydride;Succinic acid semialdehyde;4-Hydroxycrotonic acid;(S)-Methylmalonic acid semialdehyde;2-Methyl-3-oxopropanoic acid","HMDB":"HMDB0000060;HMDB0000005;HMDB0031646;HMDB0001259;HMDB0003381;HMDB0002217;HMDB0001172"},{"Metabolite":"3-Methyladipic acid;Pimelic acid;2-Methyladipic acid;2-Ethylglutaric acid;Mono-methyl-adipate;2,2-Dimethylglutaric acid;Ethyl methyl_succinate;Diethyl malonate;Propyleneglycol diacetate;3,3-Dimethylglutaric acid","HMDB":"HMDB0000555;HMDB0000857;HMDB0029167;HMDB0059738;HMDB0059722;HMDB0061676;HMDB0059893;HMDB0029573;HMDB0041605;HMDB0002441"},{"Metabolite":"(E)-Avenanthramide D;Avenanthramide 1p","HMDB":"HMDB0038943;HMDB0029282"},{"Metabolite":"gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine","HMDB":"HMDB0000112;HMDB0000452;HMDB0000092;HMDB0003911;HMDB0001906;HMDB0000650;HMDB0094693;HMDB0002166;HMDB0002299;HMDB0094692;HMDB0031329;HMDB0038394;HMDB0031654;HMDB0041945"},{"Metabolite":"Zanamivir","HMDB":"HMDB0014698"},{"Metabolite":"Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine","HMDB":"HMDB0000114;HMDB0059660"},{"Metabolite":"1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine","HMDB":"HMDB0013811;HMDB0094649;HMDB0006831"},{"Metabolite":"N-Methylnicotinamide;Pralidoxime;2-Methylnicotinamide;4-Acetyl-2-methylpyrimidine;2-Aminobenzamide;2-Acetyl-3-methylpyrazine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool","HMDB":"HMDB0003152;HMDB0014871;HMDB0059711;HMDB0037819;HMDB0033947;HMDB0030001;HMDB0062267;HMDB0062268"},{"Metabolite":"1-Octen-3-yl glucoside","HMDB":"HMDB0032959"},{"Metabolite":"9-Oxo-nonanoic acid;Tetrahydrofurfuryl butyrate;Butyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-oxobutanoate;cis-3-Hexenyl lactate;5-Pentyl-1,4-dioxan-2-one;Butyl levulinate;4-Hydroperoxy-2-nonenal;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one","HMDB":"HMDB0094711;HMDB0036188;HMDB0040202;HMDB0036396;HMDB0036213;HMDB0059936;HMDB0040165;HMDB0060287;HMDB0040203;HMDB0059937"},{"Metabolite":"Trichloroacetic acid","HMDB":"HMDB0042048"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine","HMDB":"HMDB0037840;HMDB0039780"},{"Metabolite":"9,13-Dihydroxy-4-megastigmen-3-one 9-glucoside;Icariside B8;Dihydroroseoside;5a,6a-Epoxy-7E-megastigmene-3b,9e-diol 9-glucoside;5a,6a-Epoxy-7E-megastigmene-3a,9e-diol 3-glucoside","HMDB":"HMDB0036318;HMDB0036846;HMDB0040614;HMDB0038306;HMDB0031676"},{"Metabolite":"Leucyl-Serine;Serylleucine;Serylisoleucine;Isoleucyl-Serine;Valyl-Threonine;Threoninyl-Valine;Meprobamate;Pantothenamide;L-Lysopine","HMDB":"HMDB0028938;HMDB0029043;HMDB0029042;HMDB0028916;HMDB0029137;HMDB0029074;HMDB0014515;HMDB0041313;HMDB0033675"},{"Metabolite":"Adipic acid;Methylglutaric acid;2-Methylglutaric acid;4-Ethoxy-4-oxobutanoic acid;Solerol;Dimethyl succinate;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid","HMDB":"HMDB0000448;HMDB0000752;HMDB0000422;HMDB0061930;HMDB0002173;HMDB0033837;HMDB0000858;HMDB0002074;HMDB0006900"},{"Metabolite":"Cinitapride;Acetyl tributyl citrate","HMDB":"HMDB0015698;HMDB0034159"},{"Metabolite":"Guanidinosuccinic acid","HMDB":"HMDB0003157"},{"Metabolite":"5-Aminoimidazole ribonucleotide;5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium","HMDB":"HMDB0001235;HMDB0062575"},{"Metabolite":"Oleic acid;Vaccenic acid;Elaidic acid;cis-Vaccenic acid;Octadec-9-enoic Acid;(Z)-13-Octadecenoic acid;7Z-octadecenoic acid;(E)-13-Octadecenoic acid;Ethyl 9-hexadecenoate;Petroselinic acid","HMDB":"HMDB0000207;HMDB0003231;HMDB0000573;HMDB0240219;HMDB0062703;HMDB0041480;HMDB0062242;HMDB0062218;HMDB0059871;HMDB0002080"},{"Metabolite":"Glycerol 1-(5-hydroxydodecanoate)","HMDB":"HMDB0040168"},{"Metabolite":"N2-Fructopyranosylarginine","HMDB":"HMDB0041541"},{"Metabolite":"S-2-Propenyl propanethioate;2-Ethyldihydro-3(2H)-thiophenone;2-[(Methylthio)methyl]-2-butenal","HMDB":"HMDB0037493;HMDB0040238;HMDB0031370"},{"Metabolite":"4-ethylphenylsulfate;3-ethylphenyl Sulfate","HMDB":"HMDB0062551;HMDB0062721"},{"Metabolite":"(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2-(5-Methyl-2-furanyl)-3-piperidinol;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine","HMDB":"HMDB0036090;HMDB0035195;HMDB0039838;HMDB0039784;HMDB0033868;HMDB0040038;HMDB0060748;HMDB0041806"},{"Metabolite":"2-Hydroxyadipic acid;Levoglucosan;3-Hydroxyadipic acid;2-Hydroxy-2-ethylsuccinic acid;3-Methyl-3-hydroxypentanedioate;D-1-Deoxy-erythro-hexo-2,3-diulose;2(R)-Hydroxyadipic acid;Diethyl dicarbonate;D-1,5-Anhydrofructose","HMDB":"HMDB0000321;HMDB0000640;HMDB0000345;HMDB0059758;HMDB0059737;HMDB0029934;HMDB0000368;HMDB0032873;HMDB0041561"},{"Metabolite":"Glycodiazine","HMDB":"HMDB0015461"},{"Metabolite":"2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde","HMDB":"HMDB0013751;HMDB0036057"},{"Metabolite":"Pyrocatechol sulfate;Hydroquinone sulfate","HMDB":"HMDB0059724;HMDB0240263"},{"Metabolite":"Caffeic acid;4-Hydroxyphenylpyruvic acid;Aspirin;Monomethyl phthalate;(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid;3-(3,5-Dihydroxyphenyl)-2-propenoic acid;(2E)-3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(3-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(2,5-dihydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carboxylic acid;3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-(3,4-dihydroxyphenyl)prop-2-enoic acid;3-(2,5-dihydroxyphenyl)prop-2-enoic acid;(2E)-3-(2,3-dihydroxyphenyl)prop-2-enoic acid;3,4-Dihydroxy-trans-cinnamate;3-(2,4-dihydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carboxylic acid;(2E)-3-(3,5-dihydroxyphenyl)prop-2-enoic acid;3-Hydroxyphenylpyruvic acid;2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid","HMDB":"HMDB0001964;HMDB0000707;HMDB0001879;HMDB0002130;HMDB0032057;HMDB0032131;HMDB0126377;HMDB0140955;HMDB0140956;HMDB0134040;HMDB0125589;HMDB0125102;HMDB0134041;HMDB0140954;HMDB0003501;HMDB0132508;HMDB0125805;HMDB0125527;HMDB0011663;HMDB0006915"},{"Metabolite":"Glucaric acid;Galactaric acid;D-Glucaric acid","HMDB":"HMDB0000663;HMDB0000639;HMDB0029881"},{"Metabolite":"Palmitoleic acid;Palmitelaidic acid;Hypogeic acid;(E)-3-Hexadecenoic acid;Citronellyl hexanoate;(Z)-13-Hexadecenoic acid;(E)-11-Hexadecenoic acid;(Z)-5-Hexadecenoic acid;(Z)-14-Methyl-6-pentadecenoic acid;(E)-6-Hexadecenoic acid;Trans-Hexa-dec-2-enoic acid;15-Hexadecanolide;5-Dodecyldihydro-2(3H)-furanone","HMDB":"HMDB0003229;HMDB0012328;HMDB0002186;HMDB0033791;HMDB0038958;HMDB0035877;HMDB0037647;HMDB0032638;HMDB0041422;HMDB0031053;HMDB0010735;HMDB0031711;HMDB0031145"},{"Metabolite":"Ascorbic acid-2-sulfate","HMDB":"HMDB0060649"},{"Metabolite":"Hydroxyprolyl-Isoleucine;Isoleucyl-Hydroxyproline;Leucyl-Hydroxyproline;Hydroxyprolyl-Leucine","HMDB":"HMDB0028866;HMDB0028908;HMDB0028930;HMDB0028867"},{"Metabolite":"Histamine;Betazole;Histamium","HMDB":"HMDB0000870;HMDB0014417;HMDB0060263"},{"Metabolite":"2-Diethylaminoethanol","HMDB":"HMDB0033971"},{"Metabolite":"Dodecanoic acid;Octyl butanoate;Ethyl decanoate;Isopropyl nonanoate;Decyl acetate;Octyl 2-methylpropanoate;(R)-Dihydrocitronellol acetate;2-Heptyl butyrate;Pentyl heptanoate;Hexyl hexanoate;Isobutyl octanoate;Nonanal propyleneglycol acetal","HMDB":"HMDB0000638;HMDB0034136;HMDB0030998;HMDB0034128;HMDB0040166;HMDB0034137;HMDB0035410;HMDB0032310;HMDB0036225;HMDB0033619;HMDB0059868;HMDB0032440"},{"Metabolite":"Tolmetin glucuronide","HMDB":"HMDB0042044"},{"Metabolite":"S-Acetyldihydrolipoamide;S-Acetyldihydrolipoamide-E","HMDB":"HMDB0001526;HMDB0006878"},{"Metabolite":"N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutamyl-Gamma-glutamate;Glutaminylglutamic acid;Norophthalmic acid","HMDB":"HMDB0029147;HMDB0011738;HMDB0028817;HMDB0028833;HMDB0028796;HMDB0005766"},{"Metabolite":"Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;2-C-Methyl-1,4-erythrono-D-lactone;2-Deoxy-L-ribono-1,4-lactone;Monoethyl malonic acid;2-Acetolactate ;(S)-2-Acetolactate","HMDB":"HMDB0000661;HMDB0001844;HMDB0000622;HMDB0061879;HMDB0002001;HMDB0040531;HMDB0029884;HMDB0033958;HMDB0000576;HMDB0006833;HMDB0006855"},{"Metabolite":"(4-ethenyl-2,6-dihydroxyphenyl)oxidanesulfonic acid;Vanillin 4-sulfate;2,4-Dihydroxyacetophenone 5-sulfate;2-[3-(sulfooxy)phenyl]acetic acid;2-[4-(sulfooxy)phenyl]acetic acid","HMDB":"HMDB0128010;HMDB0041789;HMDB0041646;HMDB0125163;HMDB0132500"},{"Metabolite":"2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;6-({3-[(1E)-buta-1,3-dien-1-yl]-1-oxo-1H-isochromen-5-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,6,8-trimethoxy-4H-chromen-4-one;2-(2,3-dihydroxy-4-methoxyphenyl)-5-hydroxy-3,6,7-trimethoxy-4H-chromen-4-one;2-(3,4-dimethoxyphenyl)-5,6,8-trihydroxy-3,7-dimethoxy-4H-chromen-4-one;3,4,5-trihydroxy-6-[2-(phenoxycarbonyl)phenoxy]oxane-2-carboxylic acid","HMDB":"HMDB0130260;HMDB0130059;HMDB0136138;HMDB0136142;HMDB0130259;HMDB0129269;HMDB0135167"},{"Metabolite":"3-Hydroxyoctanoic acid;Hydroxyoctanoic acid;7-Hydroxyoctanoic acid;8-Hydroxyoctanoate;(R)-2-Hydroxycaprylic acid;3-Hydroxyvalproic acid;5-Hydroxyvalproic acid;4-Hydroxyvalproic acid;(+/-)-Ethyl 2-hydroxy-3-methylvalerate;Ethyl 2-hydroxy-4-methylpentanoate;Ethyl (±)-3-hydroxyhexanoate;Peroxyoctanoic acid;Isoamyl lactate;(7R)-7-hydroxyoctanoic Acid;(R)-3-Hydroxyoctanoic acid","HMDB":"HMDB0001954;HMDB0000711;HMDB0000486;HMDB0061914;HMDB0002264;HMDB0013899;HMDB0013898;HMDB0013900;HMDB0032270;HMDB0059867;HMDB0031509;HMDB0032827;HMDB0059825;HMDB0062596;HMDB0010722"},{"Metabolite":"Kuwanon Z","HMDB":"HMDB0033297"},{"Metabolite":"D-Xylose;L-Arabinose;D-Xylulose;D-Arabinose;L-Ribulose;L-Threo-2-pentulose;Arabinofuranose;2-Deoxyribonic acid;3-hydroxy-2,2-bis(hydroxymethyl)propanoic acid;Aldehydo-D-xylose;beta-Arabinose;2-Deoxypentonic acid;D-Apiose","HMDB":"HMDB0000098;HMDB0000646;HMDB0001644;HMDB0029942;HMDB0003371;HMDB0000751;HMDB0012325;HMDB0000366;HMDB0127617;HMDB0060254;HMDB0094694;HMDB0059753;HMDB0029941"},{"Metabolite":"Glucosereductone;Malonic semialdehyde;2-hydroxyacrylic Acid","HMDB":"HMDB0040261;HMDB0011111;HMDB0062676"},{"Metabolite":"LysoPC(16:0);1-palmitoylglycerophosphocholine;2-Palmitoylglycerophosphocholine;LysoPC(0:0/16:0)","HMDB":"HMDB0010382;HMDB0062541;HMDB0061702;HMDB0240262"},{"Metabolite":"3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone","HMDB":"HMDB0000522;HMDB0013311;HMDB0040207;HMDB0036232;HMDB0031257;HMDB0002266;HMDB0000393;HMDB0029171"},{"Metabolite":"Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;3-(1-Pyrrolidinyl)-2-pentanone;2,2,6,6-Tetramethyl-4-piperidinone","HMDB":"HMDB0030326;HMDB0039834;HMDB0039833;HMDB0031179"},{"Metabolite":"Dodecanedioic acid;Bis(1-methylethyl) hexanedioate;Dipropyl hexanedioate;Talaromycin A","HMDB":"HMDB0000623;HMDB0041613;HMDB0041614;HMDB0030143"},{"Metabolite":"Threoninyl-Asparagine;Serinyl-Gamma-glutamate;Serylglutamine;Asparaginyl-Threonine;Glutaminylserine","HMDB":"HMDB0029056;HMDB0029053;HMDB0029037;HMDB0028741;HMDB0028806"},{"Metabolite":"N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;N-Isobutyl-2,4,8-decatrienamide;Sarmentine","HMDB":"HMDB0032240;HMDB0030188;HMDB0038840"},{"Metabolite":"Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;5-Methyl-5-hepten-2-one;2,4,4-Trimethylcyclopentanone;2-Ethylidenehexanal;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;6-Octenal;3-Methyl-3-hepten-2-one;(Z)-5-Octenal;4-Octen-3-one;5-Octen-2-one","HMDB":"HMDB0035915;HMDB0033547;HMDB0030961;HMDB0013809;HMDB0061945;HMDB0030966;HMDB0040146;HMDB0040151;HMDB0040149;HMDB0031309;HMDB0035242;HMDB0031591;HMDB0031197;HMDB0037152;HMDB0032403;HMDB0031301;HMDB0039769;HMDB0031590;HMDB0039770;HMDB0032451;HMDB0035390"},{"Metabolite":"Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid","HMDB":"HMDB0028819;HMDB0028746;HMDB0028840;HMDB0011667;HMDB0011162;HMDB0028683"},{"Metabolite":"Mexiletine;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Methoxyphenamine","HMDB":"HMDB0014523;HMDB0041932;HMDB0039683;HMDB0039677;HMDB0039675;HMDB0039676;HMDB0039686;HMDB0039684;HMDB0041930"},{"Metabolite":"Oxoadipic acid;2-Methyl-4-oxopentanedioic acid;3-Oxoadipic acid","HMDB":"HMDB0000225;HMDB0039447;HMDB0000398"},{"Metabolite":"N-Desmethyl tapentadol","HMDB":"HMDB0060611"},{"Metabolite":"N-Acetylarylamine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2-Phenylacetamide","HMDB":"HMDB0001250;HMDB0032630;HMDB0032628;HMDB0040008;HMDB0040224;HMDB0040222;HMDB0040013;HMDB0037071;HMDB0040223;HMDB0037072;HMDB0010715"},{"Metabolite":"Monomenthyl succinate;5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid;(6R,8Z)-6-Hydroxy-3-oxotetradecenoic acid;(6S,8Z)-6-Hydroxy-3-oxotetradecenoic acid","HMDB":"HMDB0036143;HMDB0030993;HMDB0062363;HMDB0062364"},{"Metabolite":"Thiolutin","HMDB":"HMDB0034228"},{"Metabolite":"3-Oxotetradecanoic acid;6-Ketomyristic acid;L-Menthyl (R,S)-3-hydroxybutyrate","HMDB":"HMDB0010730;HMDB0030982;HMDB0032370"},{"Metabolite":"Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;(Z)-Tamarindienal;benzene-1,2,4-triol;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde","HMDB":"HMDB0030776;HMDB0013674;HMDB0013675;HMDB0029750;HMDB0032651;HMDB0124831;HMDB0031256;HMDB0059735;HMDB0034355"},{"Metabolite":"Myristic acid;12-Methyltridecanoic acid;Ethyl dodecanoate;10-Methyltridecanoic acid;Nonyl isovalerate;3-Methylbutyl nonanoate;Hexyl octanoate;Heptyl heptanoate;Decyl butanoate;Dodecyl acetate;Isobutyl decanoate;Undecanal propyleneglycol acetal;2,6,10-Trimethylundecanoic acid;Hexanal octane-1,3-diol acetal","HMDB":"HMDB0000806;HMDB0031072;HMDB0033788;HMDB0061781;HMDB0038034;HMDB0037495;HMDB0036216;HMDB0034461;HMDB0037312;HMDB0038969;HMDB0059865;HMDB0032548;HMDB0002221;HMDB0032318"},{"Metabolite":"Sorbitol;Mannitol;Galactitol;L-Iditol","HMDB":"HMDB0000247;HMDB0000765;HMDB0000107;HMDB0011632"},{"Metabolite":"2-Furanylmethyl butanoate;Ethyl 2-furanpropionate;1,3,5-Trimethoxybenzene;(4-Hydroxy-3-methoxyphenyl)ethanol;Epoxyoxophorone;4-ethyl-6-methoxybenzene-1,3-diol;5-methoxy-2,4-dimethylbenzene-1,3-diol;1-Ipomeanol;2,6-Dimethoxy-4-methylphenol;5-ethyl-3-methoxybenzene-1,2-diol;3,5-dimethoxy-2-methylphenol;4-Ipomeanol;4-ethyl-2-methoxybenzene-1,3-diol","HMDB":"HMDB0037729;HMDB0032921;HMDB0059963;HMDB0038925;HMDB0032252;HMDB0125521;HMDB0126600;HMDB0030473;HMDB0029680;HMDB0125531;HMDB0131223;HMDB0030472;HMDB0125541"},{"Metabolite":"Phenylpropanolamine;N-Methyltyramine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;2-(2-Furanyl)piperidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;1-Furfurylpyrrolidine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;N-Methylphenylethanolamine;N-methylphenylethanolaminium;4-Hydroxyamphetamine","HMDB":"HMDB0001942;HMDB0003633;HMDB0039674;HMDB0040044;HMDB0039835;HMDB0039663;HMDB0040039;HMDB0040037;HMDB0039658;HMDB0039659;HMDB0001387;HMDB0062808;HMDB0060765"},{"Metabolite":"N-lactoyl-Methionine","HMDB":"HMDB0062182"},{"Metabolite":"Glutaric acid;Methylsuccinic acid;Ethylmalonic acid;(S)-Methylbutanethioic acid;Dimethylmalonic acid;2-Hydroxy-4-oxopentanoic acid;Monoethyl malonic acid;2-Deoxy-L-ribono-1,4-lactone;2-C-Methyl-1,4-erythrono-D-lactone;(S)-2-Acetolactate;2-Acetolactate","HMDB":"HMDB0000661;HMDB0001844;HMDB0000622;HMDB0061879;HMDB0002001;HMDB0040531;HMDB0000576;HMDB0033958;HMDB0029884;HMDB0006855;HMDB0006833"},{"Metabolite":"Glycogen;Maltotetraose;Stachyose;Mannan;Sesamose;3-beta-Glucosylcellotriose;Nystose;Bifurcose;Fagopyritol A3;Fagopyritol B3;Neobifurcose;3-beta-Cellobiosylcellobiose","HMDB":"HMDB0000757;HMDB0001296;HMDB0003553;HMDB0029931;HMDB0038871;HMDB0039173;HMDB0039176;HMDB0038490;HMDB0040182;HMDB0035323;HMDB0038870;HMDB0039174"},{"Metabolite":"Tetrahydrofurfuryl butyrate;9-Oxo-nonanoic acid;Butyl levulinate;5-Pentyl-1,4-dioxan-2-one;2-Methylpropyl 3-hydroxy-2-methylidenebutanoate;6-Pentyl-1,4-dioxan-2-one;4-Hydroperoxy-2-nonenal;Butyl 3-hydroxy-2-methylidenebutanoate;cis-3-Hexenyl lactate;3-Methylbutyl 3-oxobutanoate","HMDB":"HMDB0036188;HMDB0094711;HMDB0040165;HMDB0059936;HMDB0040203;HMDB0059937;HMDB0060287;HMDB0040202;HMDB0036213;HMDB0036396"},{"Metabolite":"Demeclocycline;(4aS,5aS,12aS)-7-chloro-4-(dimethylamino)-3,6,10,12,12a-pentahydroxy-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboximidic acid","HMDB":"HMDB0014756;HMDB0144089"},{"Metabolite":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;3-Acetamidobutanal","HMDB":"HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0004226;HMDB0062767;HMDB0062225;HMDB0094697;HMDB0059649"},{"Metabolite":"Histidinyl-Asparagine;Asparaginyl-Histidine","HMDB":"HMDB0028880;HMDB0028733"},{"Metabolite":"1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine","HMDB":"HMDB0000898;HMDB0001861;HMDB0062574;HMDB0061685"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)valine","HMDB":"HMDB0037844"},{"Metabolite":"5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid;alpha-Carboxy-delta-decalactone;2-Carboxy-5,7-dimethyl-4-octanolide","HMDB":"HMDB0030984;HMDB0030985;HMDB0030986"},{"Metabolite":"Lysyl-Valine;Valyl-Lysine","HMDB":"HMDB0028964;HMDB0029132"},{"Metabolite":"3-Sulfinato-L-alaninate;3-Sulfinoalanine","HMDB":"HMDB0060179;HMDB0000996"},{"Metabolite":"Hexylamine;Triethylamine","HMDB":"HMDB0032323;HMDB0032539"},{"Metabolite":"LysoPC(20:4(5Z,8Z,11Z,14Z));LysoPC(20:4(8Z,11Z,14Z,17Z));2-Arachidonoylglycerophosphocholine","HMDB":"HMDB0010395;HMDB0010396;HMDB0061699"},{"Metabolite":"Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;2-(2,4-dihydroxyphenyl)propanoic acid;2',6'-Dihydroxy-4'-methoxyacetophenone;3-(2,4-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;Maltol propionate;2-(3,4-dihydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2',4'-Dihydroxy-6'-methoxyacetophenone;3-(2,5-dihydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;2-hydroxy-2-(3-methoxyphenyl)acetic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(3,5-dihydroxyphenyl)propanoic acid;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;3-Hydroxyphenyllactate","HMDB":"HMDB0000118;HMDB0000755;HMDB0000423;HMDB0002643;HMDB0000333;HMDB0062595;HMDB0029273;HMDB0125595;HMDB0059763;HMDB0240266;HMDB0004061;HMDB0133788;HMDB0029646;HMDB0126386;HMDB0140294;HMDB0037274;HMDB0129348;HMDB0131428;HMDB0041270;HMDB0134043;HMDB0033624;HMDB0134042;HMDB0133494;HMDB0127495;HMDB0140892;HMDB0125591;HMDB0125533;HMDB0124923;HMDB0029232"},{"Metabolite":"(1alpha,2alpha,4betaH,6alpha,8R)-p-Menthane-2,6,8,9-tetrol;(1S,2S,4R,8R)-p-Menthane-1,2,8,9-tetrol;(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol;3,7-Dimethyl-3-octene-1,2,6,7-tetrol;(2xi,6xi)-7-Methyl-3-methylene-1,2,6,7-octanetetrol","HMDB":"HMDB0039053;HMDB0039974;HMDB0033642;HMDB0035133;HMDB0033217"},{"Metabolite":"(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;Ethyl N-ethylanthranilate;2-Isopropylphenyl methylcarbamate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline","HMDB":"HMDB0003892;HMDB0003626;HMDB0037698;HMDB0031797;HMDB0035072;HMDB0036906;HMDB0012469;HMDB0012484"},{"Metabolite":"Methyl 1-(1-propenylthio)propyl disulfide;(-)-1-(Methylthio)propyl 1-propenyl disulfide","HMDB":"HMDB0033043;HMDB0034440"},{"Metabolite":"Caproic acid;Ethyl butyrate;Isocaproic acid;Methyl pentanoate;Propyl propionate;Methyl (S)-2-Methylbutanoate;Caproate (6:0);(±)-2-Methylpentanoic acid;3-Methylpentanoic acid;n-Butyl acetate;Methyl 3-methylbutanoate;Ethyl 2-methylpropanoate;3-Methylbutyl formate;2-Ethylbutanoic acid;Isopropyl propionate;2,4,5-Trimethyl-1,3-dioxolane;Pentyl formate;2-Methylpropyl acetate;Diacetone alcohol;2,2,4-Trimethyl-1,3-dioxolane","HMDB":"HMDB0000535;HMDB0033889;HMDB0000689;HMDB0031207;HMDB0030059;HMDB0029762;HMDB0061883;HMDB0031580;HMDB0033774;HMDB0031325;HMDB0030027;HMDB0031248;HMDB0034163;HMDB0031221;HMDB0030056;HMDB0040279;HMDB0040327;HMDB0031246;HMDB0031511;HMDB0037266"},{"Metabolite":"4-Hydroxynonenal;Ethyl cyclohexanecarboxylate;2-Nonenoic acid;Methyl 4Z-octenoate;Isobutyl angelate;cis-Ethyl 4-heptenoate;Methyl 2-octenoate;Methyl (E)-2-octenoate;2-Propenyl 2-ethylbutanoate;2-Propenyl hexanoate;Methyl 3-Octenoate;(E)-2-Ethyl heptenoate;Dihydro-5-pentyl-2(3H)-furanone;2,4-Nonanedione;Quercuslactone a;6-Butyltetrahydro-2H-pyran-2-one;2-Hydroxy-2,6,6-trimethylcyclohexanone;(E)-3-Heptenyl acetate;6-Hydroxy-4,6-dimethyl-3-hepten-2-one;Hept-trans-2-en-1-yl acetate;4-Oxononanal;Cyclohexyl propionate;3,4-Epoxynonanal;trans-2-Hexenyl propanoate;Prenyl isobutyrate;cis-3-Hexenyl propanoate;(Z)-Oak lactone;(E)-Oak lactone","HMDB":"HMDB0004362;HMDB0033167;HMDB0031271;HMDB0039794;HMDB0037629;HMDB0032265;HMDB0032413;HMDB0037496;HMDB0036208;HMDB0040210;HMDB0059728;HMDB0059840;HMDB0031531;HMDB0031263;HMDB0035307;HMDB0031514;HMDB0037023;HMDB0037618;HMDB0039736;HMDB0032307;HMDB0034716;HMDB0036222;HMDB0060286;HMDB0038272;HMDB0032491;HMDB0038275;HMDB0059817;HMDB0059894"},{"Metabolite":"1,5-Anhydrosorbitol;L-Fucose;Rhamnose;L-Fuculose;3-Deoxyfructose;2-Deoxyglucose;D-Fucose;2-Deoxygalactopyranose;L-Rhamnulose;Alpha-L-fucose;Beta-D-Fucose;6-methyloxane-2,3,4,5-tetrol;2-O-Methyl-D-xylose;L-Fucose-1P;beta-L-fucose","HMDB":"HMDB0002712;HMDB0000174;HMDB0000849;HMDB0060267;HMDB0005876;HMDB0062477;HMDB0029196;HMDB0012327;HMDB0010207;HMDB0059624;HMDB0003081;HMDB0124735;HMDB0033821;HMDB0062489;HMDB0059625"},{"Metabolite":"2,4-Dodecadienoic acid pyrrolidide","HMDB":"HMDB0038841"},{"Metabolite":"Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine","HMDB":"HMDB0000079;HMDB0029874;HMDB0031547;HMDB0062558"},{"Metabolite":"Methoxamine;Orciprenaline;Isoproterenol","HMDB":"HMDB0014861;HMDB0014954;HMDB0015197"},{"Metabolite":"Homoarecoline","HMDB":"HMDB0038321"},{"Metabolite":"D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;DL-Glutamate;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde","HMDB":"HMDB0003339;HMDB0002931;HMDB0002393;HMDB0003011;HMDB0060475;HMDB0033550;HMDB0062183;HMDB0006556"},{"Metabolite":"Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;4-Hydroxy-2,6-dimethylaniline;Dimethylaniline-N-oxide;Phenylethanolaminium;Tyraminium","HMDB":"HMDB0000306;HMDB0001065;HMDB0004989;HMDB0039657;HMDB0029759;HMDB0040059;HMDB0060681;HMDB0001466;HMDB0062626;HMDB0062629"},{"Metabolite":"2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6,8-dimethoxy-3,4-dihydro-2H-1-benzopyran-4-one","HMDB":"HMDB0138522"},{"Metabolite":"(2R)-1-O-beta-D-Galactopyranosylglycerol;Dyphylline;Galactosylglycerol","HMDB":"HMDB0038664;HMDB0014789;HMDB0006790"},{"Metabolite":"3-[3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-(sulfooxy)phenyl]prop-2-enoic acid;[2-hydroxy-3-(3-oxoprop-1-en-1-yl)phenyl]oxidanesulfonic acid;(2E)-3-[4-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[3-(sulfooxy)phenyl]prop-2-enoic acid","HMDB":"HMDB0127985;HMDB0128093;HMDB0134054;HMDB0125166;HMDB0124975"},{"Metabolite":"9,10,13-TriHOME;(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid;5,8,12-Trihydroxy-9-octadecenoic acid;9,12,13-TriHOME","HMDB":"HMDB0004710;HMDB0038555;HMDB0030936;HMDB0004708"},{"Metabolite":"Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;D-Asparagine;N-carbamoyl-beta-alaninate","HMDB":"HMDB0011733;HMDB0000026;HMDB0012265;HMDB0033780;HMDB0062812"},{"Metabolite":"trans-Aconitic acid;Dehydroascorbic acid;2,5-Dimethyl-3-(methyldithio)furan;Dehydroascorbide(1-)","HMDB":"HMDB0000958;HMDB0001264;HMDB0040200;HMDB0062706"},{"Metabolite":"Suberic acid;2,4-Dimethyladipic acid;Dimethyl adipate;3-Methylpimelic acid;Diethyl succinate;2-Propylglutaric acid;Ethyladipic acid","HMDB":"HMDB0000893;HMDB0059727;HMDB0041606;HMDB0059757;HMDB0033838;HMDB0060684;HMDB0002023"},{"Metabolite":"N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate;(S)-5-Amino-3-oxohexanoate;(S)-2-amino-6-oxohexanoate","HMDB":"HMDB0000808;HMDB0000730;HMDB0094698;HMDB0001263;HMDB0015127;HMDB0029426;HMDB0029425;HMDB0061156;HMDB0012151;HMDB0012131;HMDB0059595"},{"Metabolite":"6-Epi-7-isocucurbic acid glucoside","HMDB":"HMDB0029782"},{"Metabolite":"Goshuyic acid;Linalyl butyrate;2-Propenyl cyclohexanepentanoate;Linalyl isobutyrate;alpha-Terpineol butanoate;Geranyl 2-methylpropanoate;Isobornyl isobutyrate;Bornyl butyrate;Ethyl (2E,6Z)-dodecadienoate;Allyl undecylenate;Neryl butyrate;Terpinyl isobutyrate","HMDB":"HMDB0000560;HMDB0030427;HMDB0037814;HMDB0030426;HMDB0032053;HMDB0038260;HMDB0032342;HMDB0038246;HMDB0031015;HMDB0036424;HMDB0038259;HMDB0032524"},{"Metabolite":"Succinylacetone;Isopropylmaleate;xi-2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one;Ethyl 5-oxotetrahydro-2-furancarboxylate","HMDB":"HMDB0000635;HMDB0012241;HMDB0036380;HMDB0059815"},{"Metabolite":"2-Acetyl-3,5-dimethylpyrazine;6-Methylnicotinamide;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine","HMDB":"HMDB0039999;HMDB0013704;HMDB0029410;HMDB0038513;HMDB0039998"},{"Metabolite":"Tetradecanedioic acid;Diisobutyl adipate;Diethyl decanedioate;1-Hydroxypropan-2-yl 2-isopropyl-5-methylcyclohexyl carbonate;2-Hydroxypropyl 2-isopropyl-5-methylcyclohexyl carbonate","HMDB":"HMDB0000872;HMDB0041618;HMDB0040429;HMDB0059947;HMDB0059946"},{"Metabolite":"Myristoleic acid;5Z-Tetradecenoic acid;5-Tetradecenoic acid;Heptyl cyclohexane carboxylic acid;Rhodinyl butyrate;1,1-Diethoxy-3,7-dimethyl-2,6-octadiene;Citronellyl isobutyrate;Citronellyl butyrate;Houttuynin;2-Hexenyl octanoate;Rhodinyl isobutyrate;Ethyl (E)-2-dodecenoate;Butyl 2-decenoate;9E-tetradecenoic acid;7Z-tetradecenoic acid;trans-Tetra-dec-2-enoic acid;Tsuzuic acid;Acetaldehyde di-cis-3-hexenyl acetal;delta-Tetradecalactone;xi-Tetrahydro-3-nonyl-2H-pyran-2-one;(R)-14-Methyloxacyclotetradecan-2-one;12-Methyl-13-tridecanolide","HMDB":"HMDB0002000;HMDB0000521;HMDB0000499;HMDB0094671;HMDB0037188;HMDB0040228;HMDB0037228;HMDB0037227;HMDB0034561;HMDB0032321;HMDB0037189;HMDB0031029;HMDB0037369;HMDB0062248;HMDB0062243;HMDB0010732;HMDB0005051;HMDB0032152;HMDB0038056;HMDB0037633;HMDB0030921;HMDB0031073"},{"Metabolite":"1,11-Undecanedicarboxylic acid;(±)-1,4-Nonanediol diacetate;Menthyl ethylene glycol carbonate","HMDB":"HMDB0002327;HMDB0037184;HMDB0036141"},{"Metabolite":"D-4-Hydroxy-2-oxoglutarate;4-Hydroxy-2-oxoglutaric acid","HMDB":"HMDB0060466;HMDB0002070"},{"Metabolite":"Saccharopine;L-saccharopinate(1-)","HMDB":"HMDB0000279;HMDB0062698"},{"Metabolite":"3,4-Methylenesebacic acid;Allixin","HMDB":"HMDB0059729;HMDB0040705"},{"Metabolite":"{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid","HMDB":"HMDB0135631"},{"Metabolite":"N,N'-Diacetylhydrazine;N-Nitroso-3-hydroxypyrrolidine","HMDB":"HMDB0060496;HMDB0061163"},{"Metabolite":"Diisopentyl thiomalate","HMDB":"HMDB0032223"},{"Metabolite":"7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside","HMDB":"HMDB0040706;HMDB0039964;HMDB0041552"},{"Metabolite":"Urate radical","HMDB":"HMDB0060260"},{"Metabolite":"N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine","HMDB":"HMDB0002038;HMDB0015154;HMDB0006078;HMDB0006009"},{"Metabolite":"Heptanoic acid;Propyl butyrate;Ethyl isovalerate;Ethyl pentanoate;Methyl hexanoate;Propyl 2-methylpropanoate;Butyl propionate;Pentyl acetate;Isopentyl acetate;Ethyl 2-methylbutyrate;Isopropyl butyrate;2-Methylpropyl propanoate;2-Methylhexanoic acid;5-Methylhexanoic acid;Methyl (±)-2-methylpentanoate;Methyl 4-methylpentanoate;cis- and trans-2-Isopropyl-4-methyl-1,3-dioxolane;2-Methylbutyl acetate;(±)-2-Pentanol acetate;Hexyl formate;Isopropyl 2-methylpropanoate","HMDB":"HMDB0000666;HMDB0039618;HMDB0030028;HMDB0040297;HMDB0035238;HMDB0036209;HMDB0030052;HMDB0039095;HMDB0031528;HMDB0033745;HMDB0039619;HMDB0034239;HMDB0031594;HMDB0031595;HMDB0036237;HMDB0036238;HMDB0032204;HMDB0034166;HMDB0031600;HMDB0032874;HMDB0038227"},{"Metabolite":"Chenodeoxycholic acid;Deoxycholic acid;Ursodeoxycholic acid;Hyodeoxycholic acid;Isoursodeoxycholic acid;Allochenodeoxycholic acid;Isodeoxycholic acid;3b,12b-Dihydroxy-5b-cholanoic acid;Murocholic acid;3b,12a-Dihydroxy-5b-cholanoic acid;3a,12b-Dihydroxy-5b-cholanoic acid;7a,12b-dihydroxy-5b-Cholan-24-oic acid;Allodeoxycholic acid;Isohyodeoxycholic acid;7b,12a-Dihydroxycholanoic acid;3b,7a-Dihydroxy-5b-cholanoic acid;3a,7a-Dihydroxycholanoic acid;3b,12a-Dihydroxy-5a-cholanoic acid","HMDB":"HMDB0000518;HMDB0000626;HMDB0000946;HMDB0000733;HMDB0000686;HMDB0000514;HMDB0002536;HMDB0002585;HMDB0000811;HMDB0000438;HMDB0000411;HMDB0002488;HMDB0000478;HMDB0000664;HMDB0002451;HMDB0000361;HMDB0000384;HMDB0000348"},{"Metabolite":"5-Hydroxyflavone;5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid","HMDB":"HMDB0040556;HMDB0127226;HMDB0135621;HMDB0135447"},{"Metabolite":"2-(hydroxymethyl)-6-(2,4,6-trihydroxyphenyl)oxane-3,4,5-triol;Phlorin;Glucosylisomaltol","HMDB":"HMDB0132663;HMDB0035589;HMDB0038341"},{"Metabolite":"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate","HMDB":"HMDB0059651"},{"Metabolite":"5S,6S-epoxy-15R-hydroxy-ETE","HMDB":"HMDB0062236"},{"Metabolite":"N2,N2-Dimethylguanosine;1,7-Dimethylguanosine","HMDB":"HMDB0004824;HMDB0001961"},{"Metabolite":"Cysteine-S-sulfate","HMDB":"HMDB0000731"},{"Metabolite":"Hydrocinnamic acid;4-Ethylbenzoic acid;2-Methoxy-4-vinylphenol;2-Phenylpropionate;4-Coumaryl alcohol;Benzyl acetate;3,4-Dimethylbenzoic acid;3-Methylphenylacetic acid;2-(3-hydroxyprop-1-en-1-yl)phenol;3-(3-hydroxyphenyl)propanal;3-(4-hydroxyphenyl)propanal;o-Tolyl acetate;Ethyl benzoate;2-Ethyl-4-(2-furanyl)-2-propenal;3-ethenyl-5-methoxyphenol;2-hydroxy-3-phenylpropanal;2-(2-Furanyl)-3-methyl-2-butenal;1-Phenylethyl formate;3-(2-hydroxyphenyl)propanal;p-Tolyl acetate;2'-Hydroxy-5'-methylacetophenone;4-Ethoxybenzaldehyde;4-(3-hydroxyprop-1-en-1-yl)phenol;Methyl phenylacetate;2'-Methoxyacetophenone;3-hydroxy-3-phenylpropanal;(3-phenyloxiran-2-yl)methanol;2-Phenylethyl formate;4-(prop-2-en-1-yl)benzene-1,2-diol;4'-Methoxyacetophenone;3-[(1E)-3-hydroxyprop-1-en-1-yl]phenol;3'-carboxy-alpha-chromanol;4-Hydroxy-3-methylacetophenone","HMDB":"HMDB0000764;HMDB0002097;HMDB0013744;HMDB0011743;HMDB0003654;HMDB0031310;HMDB0002237;HMDB0002222;HMDB0134027;HMDB0135278;HMDB0135279;HMDB0032073;HMDB0033967;HMDB0038355;HMDB0125532;HMDB0135276;HMDB0040925;HMDB0037715;HMDB0134026;HMDB0032075;HMDB0032592;HMDB0033970;HMDB0135644;HMDB0032617;HMDB0032569;HMDB0135277;HMDB0135281;HMDB0040428;HMDB0135239;HMDB0032570;HMDB0135280;HMDB0062349;HMDB0059824"},{"Metabolite":"Methylphosphate","HMDB":"HMDB0061711"},{"Metabolite":"Acetyl citrate","HMDB":"HMDB0059808"},{"Metabolite":"Neuraminic acid;N-(1-Deoxy-1-fructosyl)serine","HMDB":"HMDB0000830;HMDB0037842"},{"Metabolite":"Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin","HMDB":"HMDB0061717;HMDB0013133;HMDB0062785;HMDB0034777;HMDB0039082;HMDB0033865"},{"Metabolite":"1H-Indole-3-carboxaldehyde","HMDB":"HMDB0029737"},{"Metabolite":"Aspartyl-Histidine;Histidinyl-Aspartate;D-erythro-L-galacto-Nonulose","HMDB":"HMDB0028755;HMDB0028881;HMDB0029955"},{"Metabolite":"L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid","HMDB":"HMDB0029387;HMDB0029615;HMDB0036458"},{"Metabolite":"6-Hydroxypentadecanedioic acid","HMDB":"HMDB0031885"},{"Metabolite":"(2-oxoethoxy)sulfonic acid","HMDB":"HMDB0142001"},{"Metabolite":"5-hydroxy-2-oxo-4-ureido-2,5-dihydro-1H-imidazole-5-carboxylate","HMDB":"HMDB0059663"},{"Metabolite":"R-Propyl 1-propenesulfinothioate;R-1-Propenyl 1-propanesulfinothioate;S-2-Propenyl 1-propanesulfinothioate;S-Propyl 2-propene-1-sulfinothioate","HMDB":"HMDB0032749;HMDB0032748;HMDB0032741;HMDB0039965"},{"Metabolite":"Alpha-Linolenic acid;Gamma-Linolenic acid;Calendic acid;Linolenelaidic acid;Punicic acid","HMDB":"HMDB0001388;HMDB0003073;HMDB0030962;HMDB0030964;HMDB0030963"},{"Metabolite":"4-Acetoxy-2-hexyltetrahydrofuran;3-Oxododecanoic acid","HMDB":"HMDB0037398;HMDB0010727"},{"Metabolite":"Isocitric acid;Diketogulonic acid;(1R,2R)-Isocitric acid;2,3-diketogulonate;D-threo-Isocitric acid;D-Glucaro-1,4-lactone;2,3-Diketo-L-gulonate","HMDB":"HMDB0000193;HMDB0005971;HMDB0033717;HMDB0062803;HMDB0001874;HMDB0041862;HMDB0006511"},{"Metabolite":"Prolylhydroxyproline;Pyroglutamylvaline;Prolyl-Hydroxyproline;Tetraacetylethylenediamine;Hydroxyprolyl-Proline","HMDB":"HMDB0006695;HMDB0094651;HMDB0029018;HMDB0040573;HMDB0028871"},{"Metabolite":"Ribothymidine;3-Methyluridine;Imidazoleacetic acid riboside","HMDB":"HMDB0000884;HMDB0004813;HMDB0002331"},{"Metabolite":"L-Allothreonine;4-Amino-3-hydroxybutyrate;Aminoethoxyacetic acid;Hydroxyethyl glycine","HMDB":"HMDB0004041;HMDB0061877;HMDB0060587;HMDB0061148"},{"Metabolite":"Ethyl glucuronide;6-ethoxy-3,4,5-trihydroxyoxane-2-carboxylic acid;(3,4,5,6-tetrahydroxyoxan-2-yl)methyl acetate","HMDB":"HMDB0010325;HMDB0131286;HMDB0125202"},{"Metabolite":"1-Isothiocyanato-7-(methylthio)heptane;N-acetyl-L-2-aminoadipate(2-)","HMDB":"HMDB0038440;HMDB0062715"},{"Metabolite":"Ne,Ne dimethyllysine","HMDB":"HMDB0013287"},{"Metabolite":"Valdecoxib","HMDB":"HMDB0005033"},{"Metabolite":"Hydroxylated lecithin","HMDB":"HMDB0032332"},{"Metabolite":"5Z-Dodecenoic acid;1,1-Dimethoxy-3,7-dimethyl-2,6-octadiene;Ethyl 2-decenoate;Citronellyl acetate;Hexyl 2E-hexenoate;cis-4-Decenyl acetate;(±)-Menthyl acetate;[(3,7-Dimethyl-6-octenyl)oxy]acetaldehyde;Allyl nonanoate;1-Ethenylhexyl butanoate;Methyl 9-undecenoate;2-Octenyl butyrate;Ethyl 4-decenoate;Hexyl 2-methyl-3-pentenoate;Rhodinyl acetate;(±)-Citronellyl acetate;2-Hexenyl hexanoate;Hexyl 2-methyl-4-pentenoate;Methyl 10-undecenoate;11-Dodecenoic acid;cis-3-Hexenyl hexanoate;trans-Dodec-2-enoic acid;3-Heptyldihydro-5-methyl-2(3H)-furanone;7-Hexyl-2-oxepanone;5,5-Dibutyl-4,5-dihydro-2(3H)furanone;2,6-Dimethyl-5-heptenal propyleneglycol acetal;xi-5-Dodecanolide;xi-Dihydro-5-octyl-2(3H)-furanone","HMDB":"HMDB0000529;HMDB0040361;HMDB0037329;HMDB0034844;HMDB0038269;HMDB0032214;HMDB0041264;HMDB0041449;HMDB0029763;HMDB0037498;HMDB0037305;HMDB0038081;HMDB0039220;HMDB0040158;HMDB0037186;HMDB0034160;HMDB0038924;HMDB0040163;HMDB0029585;HMDB0032248;HMDB0033378;HMDB0010729;HMDB0037813;HMDB0038895;HMDB0036182;HMDB0032235;HMDB0037742;HMDB0031683"},{"Metabolite":"Diethylcarbamazine N-oxide","HMDB":"HMDB0060817"},{"Metabolite":"2-Phenylethanol;1-Phenylethanol;1-Methoxy-4-methylbenzene;4-Ethylphenol;2,5-Dimethylphenol;3,4-Dimethylphenol;2,6-Dimethylphenol;3-Ethylphenol;4-Methylbenzyl alcohol;2,3-Dimethylphenol;1-Methoxy-2-methylbenzene","HMDB":"HMDB0033944;HMDB0032619;HMDB0032076;HMDB0029306;HMDB0030540;HMDB0032151;HMDB0032150;HMDB0059873;HMDB0041609;HMDB0032148;HMDB0032074"},{"Metabolite":"{2-hydroxy-5-[3-(4-methoxy-1-benzofuran-5-yl)-3-oxopropanoyl]phenyl}oxidanesulfonic acid","HMDB":"HMDB0129391"},{"Metabolite":"1,3-Dihydro-(2H)-indol-2-one;5-Hydroxyindole;Indoxyl;(±)-2-Hydroxy-2-phenylacetonitrile;4-Hydroxybenzeneacetonitrile;2-Methyl-4,5-benzoxazole;Mandelonitrile","HMDB":"HMDB0061918;HMDB0059805;HMDB0004094;HMDB0034666;HMDB0029757;HMDB0032390;HMDB0060486"},{"Metabolite":"N-Acetylhistidine","HMDB":"HMDB0032055"},{"Metabolite":"N-Undecylbenzenesulfonic acid","HMDB":"HMDB0032549"},{"Metabolite":"Glyceric acid;D-2,3-Dihydroxypropanoic acid","HMDB":"HMDB0000139;HMDB0031818"},{"Metabolite":"1-Phosphatidyl-D-myo-inositol","HMDB":"HMDB0006953"},{"Metabolite":"L-cis-3-Amino-2-pyrrolidinecarboxylic acid;D-1-Amino-2-pyrrolidinecarboxylic acid","HMDB":"HMDB0029396;HMDB0030405"},{"Metabolite":"[1-(4-methoxyphenyl)-3-phenylpropoxy]sulfonic acid","HMDB":"HMDB0135641"},{"Metabolite":"Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;Betonicine;5-Acetamidovalerate;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Calystegine A6;Turicine;Medicanine;Calystegin A3;Calystegine A7;4-Hydroxystachydrine","HMDB":"HMDB0000678;HMDB0000339;HMDB0012154;HMDB0011757;HMDB0000927;HMDB0029412;HMDB0012175;HMDB0061678;HMDB0031345;HMDB0029409;HMDB0038625;HMDB0038593;HMDB0036384;HMDB0029230"},{"Metabolite":"L-Menthyl acetoacetate","HMDB":"HMDB0032369"},{"Metabolite":"6-Hydroxy-1H-indole-3-acetamide","HMDB":"HMDB0031173"},{"Metabolite":"Acetylglycine;L-Aspartate-semialdehyde;L-2-Amino-3-oxobutanoic acid","HMDB":"HMDB0000532;HMDB0012249;HMDB0006454"},{"Metabolite":"Pyrophosphate","HMDB":"HMDB0000250"},{"Metabolite":"{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid","HMDB":"HMDB0135412"},{"Metabolite":"2-O-Methylascorbic acid;5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid","HMDB":"HMDB0240294;HMDB0037815;HMDB0012710;HMDB0059927"},{"Metabolite":"Docosahexaenoic acid;Grifolin;Retinol acetate;Neogrifolin;(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoate;(Z,Z)-2-Methyl-5-(8,11,14-pentadecatrienyl)-1,3-benzenediol","HMDB":"HMDB0002183;HMDB0030446;HMDB0035185;HMDB0030053;HMDB0062579;HMDB0038908"},{"Metabolite":"Benzoic acid;4-Hydroxybenzaldehyde;2-Hydroxybenzaldehyde;3-(2-Furanyl)-2-propenal","HMDB":"HMDB0001870;HMDB0011718;HMDB0034170;HMDB0032918"},{"Metabolite":"Hexanoylglycine;N-Acetylleucine;N-Acetylisoleucine;Isovalerylsarcosine;Isovalerylalanine","HMDB":"HMDB0000701;HMDB0011756;HMDB0061684;HMDB0002087;HMDB0000747"},{"Metabolite":"3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;2,6-Dimethyl-7-octene-2,3,6-triol;Ethyl (±)-3-hydroxyoctanoate;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid","HMDB":"HMDB0002203;HMDB0094656;HMDB0039669;HMDB0038186;HMDB0041600;HMDB0034783;HMDB0039470;HMDB0040329;HMDB0039893;HMDB0033640;HMDB0033574;HMDB0033201;HMDB0039668;HMDB0010725"},{"Metabolite":"Polyethylene, oxidized","HMDB":"HMDB0032472"},{"Metabolite":"Pseudouridine","HMDB":"HMDB0000767"},{"Metabolite":"N-Acetylarylamine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2-Acetyl-6-methylpyridine;2'-Aminoacetophenone;2-Aminoacetophenone;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;4-Acetyl-3-methylpyridine;2-Acetyl-5-methylpyridine;2-Phenylacetamide","HMDB":"HMDB0001250;HMDB0040013;HMDB0037071;HMDB0040223;HMDB0037072;HMDB0032630;HMDB0032628;HMDB0040008;HMDB0040224;HMDB0040222;HMDB0010715"},{"Metabolite":"Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Ethenyl acetate;Oxolan-3-one","HMDB":"HMDB0003407;HMDB0033977;HMDB0000549;HMDB0034439;HMDB0010720;HMDB0031209;HMDB0002523"},{"Metabolite":"Diacetyl;Methyl acrylate;Gamma-Butyrolactone;Isocrotonic acid;But-2-enoic acid;Oxolan-3-one;Ethenyl acetate","HMDB":"HMDB0003407;HMDB0033977;HMDB0000549;HMDB0034439;HMDB0010720;HMDB0002523;HMDB0031209"},{"Metabolite":"N-Glycolylneuraminic acid;NeuNGc","HMDB":"HMDB0000833;HMDB0062502"},{"Metabolite":"N-(1-Deoxy-1-fructosyl)tyrosine","HMDB":"HMDB0037845"},{"Metabolite":"Butyramide;4-Aminobutyraldehyde;Morpholine;N-Ethylacetamide;2-(dimethylamino)acetaldehyde","HMDB":"HMDB0033870;HMDB0001080;HMDB0031581;HMDB0031215;HMDB0142479"},{"Metabolite":"Pyrrolidine","HMDB":"HMDB0031641"},{"Metabolite":"Undecanoic acid;Hexyl valerate;1,1-Dimethylethyl heptanoic acid;xi-8-Methyldecanoic acid;Methyl decanoate;Butyl heptanoate;Nonyl acetate;Ethyl nonanoate;3-Methylbutyl hexanoate;Hexyl 2-methylbutanoate;Octyl propanoate;9-Methyldecanoic acid;Pentyl hexanoate;Isobutyl enanthate;Hexyl 3-methylbutanoate;Heptyl butanoate;2-Methylbutyl hexanoate;Propyl octanoate;Heptyl 2-methylpropanoate;2-Hexyl-4,5-dimethyl-1,3-dioxolane;Octanal propyleneglycol acetal;6,6-Dimethoxy-2,5,5-trimethyl-2-hexene;7,7-Diethoxy-3-heptene;4,6-Dimethylnonanoic acid","HMDB":"HMDB0000947;HMDB0062119;HMDB0094659;HMDB0038237;HMDB0033848;HMDB0041559;HMDB0040266;HMDB0040193;HMDB0033618;HMDB0039215;HMDB0034134;HMDB0034456;HMDB0036229;HMDB0034458;HMDB0032044;HMDB0034460;HMDB0059860;HMDB0059831;HMDB0040171;HMDB0032325;HMDB0032448;HMDB0036034;HMDB0038267;HMDB0002373"},{"Metabolite":"Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;4-Hydroxy-2H-pyran-3-carboxaldehyde;5-Methylfuran-2-carboxylic acid;5-Hydroxymethyl-2-furancarboxaldehyde;(Z)-Tamarindienal;benzene-1,2,4-triol","HMDB":"HMDB0030776;HMDB0013674;HMDB0013675;HMDB0029750;HMDB0031256;HMDB0059735;HMDB0034355;HMDB0032651;HMDB0124831"},{"Metabolite":"N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide","HMDB":"HMDB0031651;HMDB0034203"},{"Metabolite":"Lactosamine;6-(alpha-D-Glucosaminyl)-1D-myo-inositol","HMDB":"HMDB0006591;HMDB0011668"},{"Metabolite":"Caffeic acid 3-sulfate;Caffeic acid 4-sulfate;3-[4-(sulfooxy)phenyl]oxirane-2-carboxylic acid;2-oxo-3-[4-(sulfooxy)phenyl]propanoic acid;3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;(2E)-3-[2-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid;3-[4-hydroxy-3-(sulfooxy)phenyl]prop-2-enoic acid","HMDB":"HMDB0041706;HMDB0041708;HMDB0125831;HMDB0125409;HMDB0134087;HMDB0135272;HMDB0127962"},{"Metabolite":"Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine","HMDB":"HMDB0000076;HMDB0003646;HMDB0060245"},{"Metabolite":"N6-Methyladenosine;2'-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3'-O-Methyladenosine","HMDB":"HMDB0004044;HMDB0004326;HMDB0037843;HMDB0006023"},{"Metabolite":"2-Methylene-4-oxopentanedioic acid;benzene-1,2,3,4,5-pentol;Zymonic acid;2-Maleylacetate","HMDB":"HMDB0037759;HMDB0137818;HMDB0031210;HMDB0060348"},{"Metabolite":"Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;Mephedrone","HMDB":"HMDB0014968;HMDB0033484;HMDB0040019;HMDB0039664;HMDB0040020;HMDB0040018;HMDB0040027;HMDB0040014;HMDB0040017;HMDB0039667;HMDB0041923"},{"Metabolite":"3-[(3-Methylbutyl)nitrosoamino]-2-butanone","HMDB":"HMDB0033553"},{"Metabolite":"N-Methyl-1-deoxynojirimycin","HMDB":"HMDB0035360"},{"Metabolite":"Tenofovir","HMDB":"HMDB0014445"},{"Metabolite":"Indolepyruvate","HMDB":"HMDB0060484"},{"Metabolite":"Delta-Hexanolactone;2,3-Hexanedione;2-Methyl-4-pentenoic acid;Methyl 4-pentenoate;4-Methyl-2-pentenoic acid;Ethyl crotonate;trans-Hex-2-enoic acid;2-Methyl-2-pentenoic acid;3-Hexenoic acid;2-Methyl-3-pentenoic acid;Gamma-Caprolactone;3,4-Hexanedione;Dihydro-4,4-dimethyl-2(3H)-furanone;5-Oxohexanal;4-Methyl-2,3-pentanedione;Prenyl formate;Allyl propionate;epsilon-Caprolactone","HMDB":"HMDB0000453;HMDB0031491;HMDB0031158;HMDB0040328;HMDB0031561;HMDB0039581;HMDB0010719;HMDB0031560;HMDB0031501;HMDB0031562;HMDB0003843;HMDB0031492;HMDB0061929;HMDB0033568;HMDB0031559;HMDB0032490;HMDB0029487;HMDB0060476"},{"Metabolite":"Pectic acid;Galacturonic acid;5-Keto-D-gluconate;Pectin;Iduronic acid;L-Altruronic acid;3,4,5,6-tetrahydroxyoxane-2-carboxylic acid;2-Keto-L-gluconate;3-Dehydro-L-gulonate;Aldehydo-L-iduronate","HMDB":"HMDB0003363;HMDB0002545;HMDB0011731;HMDB0003402;HMDB0002704;HMDB0038491;HMDB0127846;HMDB0011732;HMDB0006334;HMDB0062783"},{"Metabolite":"Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil","HMDB":"HMDB0002320;HMDB0001014;HMDB0062719;HMDB0000544"},{"Metabolite":"{4-[(6-hydroxy-3-oxo-2,3-dihydro-1-benzofuran-2-ylidene)methyl]phenyl}oxidanesulfonic acid;[3-(3-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid;[3-(7-hydroxy-4-oxo-4H-chromen-2-yl)phenyl]oxidanesulfonic acid","HMDB":"HMDB0137537;HMDB0134560;HMDB0133344"},{"Metabolite":"Perillic acid;Pentyl 2-furyl ketone;2-Hydroxy-p-mentha-1,8-dien-6-one;2-tert-Butyl-1,4-benzenediol;3-Hydroxy-p-mentha-1,8-dien-7-al;alpha-Teresantalic acid;2,4,7-Decatrienoic acid;5-Hydroxy-p-mentha-6,8-dien-2-one;Epinepetalactone;Marmelolactone A;Isomintlactone;4-Ethyl-1,2-dimethoxybenzene;Karahana lactone;2-Methoxy-4-propylphenol;Perilla ketone;1,4-Epidioxy-p-mentha-2,8-diene;(1xi,4xi,6xi)-Carvone oxide;Rotundifolone;1,1-Dimethoxy-2-phenylethane;6-Pentyl-2H-pyran-2-one;1,2:3,4-Diepoxy-p-menth-8-ene;3-(4-methoxyphenyl)propan-1-ol;1-ethyl-3,5-dimethoxybenzene;Wine lactone;2-(4-methoxyphenyl)propan-2-ol","HMDB":"HMDB0004586;HMDB0032462;HMDB0037012;HMDB0032062;HMDB0041584;HMDB0034922;HMDB0035235;HMDB0037011;HMDB0035063;HMDB0036042;HMDB0036084;HMDB0040176;HMDB0041000;HMDB0032135;HMDB0035328;HMDB0036878;HMDB0039382;HMDB0037044;HMDB0032615;HMDB0031085;HMDB0036879;HMDB0135742;HMDB0127496;HMDB0029691;HMDB0062603"},{"Metabolite":"Dihydrothymine;Pyroglutamine;Squamolone;L-Cyclo(alanylglycyl)","HMDB":"HMDB0000079;HMDB0062558;HMDB0029874;HMDB0031547"},{"Metabolite":"Cyclohexanecarboxylic acid;1,3-Diacetylpropane;Methyl (Z)-3-hexenoate;Ethyl 4-pentenoate;Ethyl tiglate;4-Heptenoic acid;2,3-Heptanedione;2,4-Dimethyl-2-pentenoic acid;Methyl 2E-hexenoate;Allyl butyrate;2-Heptenoic acid;Dihydro-5-propyl-2(3H)-furanone;4-Pentenyl acetate;Isopentenyl acetate;2-Hexenyl formate;1-Methoxy-3-methylene-2-pentanone;5-Methyl-2,3-hexanedione;3,4-Heptanedione;4-Methyl-5-hexanolide;cis-3-Hexenyl formate;Cyclohexyl formate;3-Methyl-3-butenyl acetate;Pantolactone","HMDB":"HMDB0031342;HMDB0029165;HMDB0031504;HMDB0031603;HMDB0038962;HMDB0033793;HMDB0031476;HMDB0039819;HMDB0031500;HMDB0040591;HMDB0031484;HMDB0031681;HMDB0032460;HMDB0029314;HMDB0038271;HMDB0030330;HMDB0031593;HMDB0031477;HMDB0031174;HMDB0040214;HMDB0031351;HMDB0032391;HMDB0059876"},{"Metabolite":"Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide","HMDB":"HMDB0033453;HMDB0142963;HMDB0029449;HMDB0061157"},{"Metabolite":"3-cis-Hydroxyglipizide;4-trans-Hydroxyglipizide","HMDB":"HMDB0060934;HMDB0060935"},{"Metabolite":"N-Gluconyl ethanolamine","HMDB":"HMDB0032293"},{"Metabolite":"9-HODE;13-HODE;13S-hydroxyoctadecadienoic acid;9,10-Epoxyoctadecenoic acid;(9Z,​11E)-13-HODE;Avenoleic acid;12-Hydroxy-8,10-octadecadienoic acid;(Z)-13-Oxo-9-octadecenoic acid;Alpha-dimorphecolic acid;(10E,12Z)-9-HODE;12,13-EpOME","HMDB":"HMDB0010223;HMDB0061708;HMDB0004667;HMDB0004701;HMDB0112194;HMDB0029978;HMDB0029998;HMDB0029796;HMDB0004670;HMDB0062652;HMDB0004702"},{"Metabolite":"Pummeline;Koeniginequinone B;4-hydroxy ketorolac","HMDB":"HMDB0040382;HMDB0032109;HMDB0060647"},{"Metabolite":"Azelaic acid;Nonate;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;(+/-)-Methyl 5-acetoxyhexanoate;3-Methylsuberic acid;2,4-Dimethylpimelic acid;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate","HMDB":"HMDB0000784;HMDB0011717;HMDB0032258;HMDB0032387;HMDB0059783;HMDB0059760;HMDB0032200;HMDB0059879;HMDB0059814;HMDB0036233"},{"Metabolite":"Triethanolamine","HMDB":"HMDB0032538"},{"Metabolite":"Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone","HMDB":"HMDB0094691;HMDB0032330"},{"Metabolite":"(S)-N-Methylsalsolinol;(R)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(-)-Salsoline;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline","HMDB":"HMDB0003892;HMDB0003626;HMDB0031797;HMDB0037698;HMDB0035072;HMDB0036906;HMDB0012469;HMDB0012484"},{"Metabolite":"(Z)-3-Methyl-3-decenoic acid;3-Hexenyl 2-methylbutyrate;5-Octenyl propanoate;2-Hexenyl valerate;Prenyl caproate;Methyl 2-decenoate;2-Propenyl octanoate;Ethyl 3-cyclohexylpropionate;2-Hexenyl isovalerate;Citronellyl formate;Pent-2-enyl hexanoate;cis-3-Hexenyl pentanoate;Cyclohexyl 3-methylbutanoate;(Z)-3-Methyl-4-decenoic acid;trans-2-Hexenyl 2-methylbutyrate;Undecylenic acid;Methyl citronellate;Rhodinyl formate;Cyclohexyl pentanoate;cis-3-Hexenyl 3-methylbutanoate;cis-3-Octenyl propionate;cis-3-Hexenyl 2-methylbutanoate;Ethyl (E)-2-nonenoate;xi-gamma-Undecalactone;2,3-Undecanedione;(E)-3-Heptenyl 2-methylpropanoate;6-Hexyltetrahydro-2H-pyran-2-one;5-Hexyldihydro-4-methyl-2(3H)-furanone;(x)-1-Nonen-3-yl acetate;trans-2-Hexyl-1-cyclopropaneacetic acid;6-Methyl-5-hepten-2-one propyleneglycol acetal;5-Hexyldihydro-5-methyl-2(3H)-furanone","HMDB":"HMDB0031062;HMDB0032320;HMDB0038906;HMDB0038273;HMDB0032489;HMDB0032396;HMDB0040593;HMDB0031406;HMDB0038274;HMDB0033371;HMDB0032461;HMDB0031691;HMDB0034428;HMDB0031063;HMDB0032534;HMDB0033724;HMDB0037225;HMDB0037185;HMDB0034429;HMDB0038278;HMDB0032453;HMDB0038277;HMDB0031272;HMDB0038311;HMDB0031843;HMDB0032308;HMDB0036784;HMDB0037309;HMDB0037106;HMDB0031087;HMDB0032404;HMDB0036140"},{"Metabolite":"apo-[3-methylcrotonoyl-CoA:carbon-dioxide ligase (ADP-forming)]","HMDB":"HMDB0059607"},{"Metabolite":"Ubiquinone-1;Methyl neopentyl phthalic acid;Helinorbisabone;3-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;3,4-Dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2-carboxylic acid;2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid;2-[2,4-dihydroxy-3-(3-methylbut-2-en-1-yl)phenyl]propanoic acid","HMDB":"HMDB0002012;HMDB0094669;HMDB0032116;HMDB0135907;HMDB0038804;HMDB0133182;HMDB0134155"},{"Metabolite":"3-Amino-2-piperidone;N-Mononitrosopiperazine","HMDB":"HMDB0000323;HMDB0061162"},{"Metabolite":"Orotidine","HMDB":"HMDB0000788"},{"Metabolite":"(2S,4S)-Pinnatanine;gamma-Glutamylproline;Hydroxyprolyl-Hydroxyproline;Prolyl-Glutamate;Glutamylproline","HMDB":"HMDB0029439;HMDB0029157;HMDB0028864;HMDB0029016;HMDB0028827"},{"Metabolite":"Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid","HMDB":"HMDB0028749;HMDB0011163"},{"Metabolite":"3-Methylglutaconic acid;trans-2-Hexenedioic acid;Maleic acid homopolymer;Dimethyl fumarate;Ethyl hydrogen fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone","HMDB":"HMDB0000522;HMDB0013311;HMDB0036232;HMDB0031257;HMDB0040207;HMDB0002266;HMDB0000393;HMDB0029171"},{"Metabolite":"4-Hydroxybenzylamine;2-Propionylpyrrole;2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;p-Anisidine","HMDB":"HMDB0032578;HMDB0032492;HMDB0040360;HMDB0036058;HMDB0029300"},{"Metabolite":"Sulcatone;3-Octen-2-one;2-Octenal;(E)-2-octenal;2-Ethyl-2-hexenal;(3xi,5Z)-1,5-Octadien-3-ol;2,5-Octadien-1-ol;(2E,4E)-2,4-Octadien-1-ol;(3E,5Z)-3,5-Octadien-1-ol;1-Octen-3-one;(S,E)-Filbertone;2-Ethylidenehexanal;2,4,4-Trimethylcyclopentanone;5-Methyl-5-hepten-2-one;6-Methyl-3-hepten-2-one, trans-;2-Octen-4-one;3-Methyl-3-hepten-2-one;6-Octenal;(Z)-5-Octenal;5-Octen-2-one;4-Octen-3-one","HMDB":"HMDB0035915;HMDB0033547;HMDB0030961;HMDB0013809;HMDB0061945;HMDB0030966;HMDB0040146;HMDB0040151;HMDB0040149;HMDB0031309;HMDB0035242;HMDB0037152;HMDB0031197;HMDB0031591;HMDB0032403;HMDB0031301;HMDB0031590;HMDB0039769;HMDB0039770;HMDB0035390;HMDB0032451"},{"Metabolite":"D-Fructosazine;Isomugineic acid","HMDB":"HMDB0035284;HMDB0033555"},{"Metabolite":"p-Cresol glucuronide;2-O-Benzoyl-D-glucose;D-Vacciniin","HMDB":"HMDB0011686;HMDB0034618;HMDB0038492"},{"Metabolite":"3-Hydroxydodecanoic acid;xi-5-Hydroxydodecanoic acid;12-Hydroxydodecanoic acid;(R)-3-Hydroxydodecanoic acid","HMDB":"HMDB0000387;HMDB0040169;HMDB0002059;HMDB0010728"},{"Metabolite":"8-Ocimenyl acetate;Ethyl (2E,4Z,7Z)-Decatrienoate;(S)-p-Mentha-1,8-dien-10-yl acetate;Ethyl (2E,4E,7Z)-Decatrienoate;Perillyl acetate;(2S,4R)-p-Mentha-1(7),5-dien-2-ol acetate;(R)-2-Acetoxy-p-mentha-1,8-diene;Carvyl acetate;Menthadienyl acetate;(±)-Myrtenyl acetate;4-Hydroxypropofol;(2,2-Diethoxyethyl)benzene;1-(4-methoxyphenyl)pentan-3-ol;Neocnidilide;(S)-Neolyratyl acetate;Hexylresorcinol;1-(2-Furanyl)-1-octanone;(S,Z)-Lyratol acetate","HMDB":"HMDB0039685;HMDB0035376;HMDB0037018;HMDB0035375;HMDB0037231;HMDB0035801;HMDB0037389;HMDB0038046;HMDB0038292;HMDB0035126;HMDB0014018;HMDB0041610;HMDB0132986;HMDB0034450;HMDB0041497;HMDB0032567;HMDB0040439;HMDB0031840"},{"Metabolite":"O-methoxycatechol-O-sulphate","HMDB":"HMDB0060013"},{"Metabolite":"8-Hydroxypinoresinol 4-glucoside;8-Hydroxypinoresinol 8-glucoside","HMDB":"HMDB0033282;HMDB0033281"},{"Metabolite":"Alanyl-Glutamine;N-a-Acetylcitrulline;Glutaminylalanine;Alanyl-Gamma-glutamate","HMDB":"HMDB0028685;HMDB0000856;HMDB0028790;HMDB0028701"},{"Metabolite":"1,11-Undecanedicarboxylic acid;Menthyl ethylene glycol carbonate;(±)-1,4-Nonanediol diacetate","HMDB":"HMDB0002327;HMDB0036141;HMDB0037184"},{"Metabolite":"Avenanthramide 2s;Avenanthramide 2;5-hydroxy-2-{[1-hydroxy-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-ylidene]amino}-4-methoxybenzoic acid;Clovamide","HMDB":"HMDB0029286;HMDB0033211;HMDB0137670;HMDB0039157"},{"Metabolite":"(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-one;2-Carboxy-4-dodecanolide","HMDB":"HMDB0038736;HMDB0030987"},{"Metabolite":"xi-8-Hydroxyhexadecanedioic acid;xi-7-Hydroxyhexadecanedioic acid;Emedastine","HMDB":"HMDB0037831;HMDB0037830;HMDB0015216"},{"Metabolite":"Glycyl-Lysine;Lysyl-Glycine","HMDB":"HMDB0028846;HMDB0028951"},{"Metabolite":"N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid","HMDB":"HMDB0062660;HMDB0062557;HMDB0029423;HMDB0094716;HMDB0061715;HMDB0033747"},{"Metabolite":"Monoiodothyronine","HMDB":"HMDB0000793"},{"Metabolite":"Heptanoylcholine","HMDB":"HMDB0013239"},{"Metabolite":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;N4-Acetylaminobutanal;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;3-Acetamidobutanal","HMDB":"HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0004226;HMDB0062767;HMDB0094697;HMDB0062225;HMDB0059649"},{"Metabolite":"6,8-Dihydroxypurine;Oxypurinol","HMDB":"HMDB0001182;HMDB0000786"},{"Metabolite":"2-Amino-4-ethoxy-3-hydroxybutanoic acid;Bicine;1-Deoxynojirimycin","HMDB":"HMDB0032862;HMDB0011727;HMDB0035359"},{"Metabolite":"Aspartylglycosamine","HMDB":"HMDB0000489"},{"Metabolite":"Dicyclohexyl disulfide","HMDB":"HMDB0041448"},{"Metabolite":"norcisapride","HMDB":"HMDB0061018"},{"Metabolite":"Malonylcarnitine;O-malonyl-L-carnitine;Linamarin","HMDB":"HMDB0002095;HMDB0062592;HMDB0033699"},{"Metabolite":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;N4-Acetylaminobutanal;3-Acetamidobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid","HMDB":"HMDB0000070;HMDB0005960;HMDB0094696;HMDB0015212;HMDB0029435;HMDB0029444;HMDB0062767;HMDB0004226;HMDB0059649;HMDB0062225;HMDB0094697"},{"Metabolite":"Protocatechuic acid;Gentisic acid;3,5-Dihydroxybenzoic acid;2-Pyrocatechuic acid;2,4-Dihydroxybenzoic acid;2,6-Dihydroxybenzoic acid;Patulin;2,4,6-trihydroxybenzaldehyde","HMDB":"HMDB0001856;HMDB0000152;HMDB0013677;HMDB0000397;HMDB0029666;HMDB0013676;HMDB0034299;HMDB0125090"},{"Metabolite":"3-Methyl-5-propyl-2-furannonanoic acid;Fauronyl acetate;Dihydropanaxacol;12S-HHT;3-Methyl-5-pentyl-2-furanheptanoic acid;5-Heptyl-3-methyl-2-furanpentanoic acid;5-Pentyl-2-furanoctanoic acid;Valeracetate","HMDB":"HMDB0094642;HMDB0036422;HMDB0032675;HMDB0012535;HMDB0112095;HMDB0112087;HMDB0112098;HMDB0041388"},{"Metabolite":"{[(3Z)-4-{4-[2-(dimethylamino)ethoxy]phenyl}-3,4-diphenylbut-3-en-2-yl]oxy}sulfonic acid;4-Hydroxytamoxifen sulfate","HMDB":"HMDB0144324;HMDB0061123"},{"Metabolite":"gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;3-Aminobutanoic acid;O-Acetylethanolamine;N-Ethylglycine","HMDB":"HMDB0000112;HMDB0000452;HMDB0000092;HMDB0003911;HMDB0001906;HMDB0000650;HMDB0094693;HMDB0002166;HMDB0002299;HMDB0094692;HMDB0031329;HMDB0031654;HMDB0038394;HMDB0041945"},{"Metabolite":"Tyramine glucuronide","HMDB":"HMDB0010328"},{"Metabolite":"1-Aminocyclopropanecarboxylic acid;(S)-2-Azetidinecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone","HMDB":"HMDB0036458;HMDB0029615;HMDB0029387"},{"Metabolite":"Sulfaphenazole","HMDB":"HMDB0015667"},{"Metabolite":"(±)-cis-Linalyl oxide;trans-p-Menth-2-ene-1,4-diol;Ethyl 3-octenoate;cis-3-Hexenyl butyrate;5-Decenoic acid;Cyclohexyl butanoate;9-Decenoic acid;2-Hexenyl butanoate;6-Decenoic acid;5Z-Octenyl acetate;Ethyl 4Z-octenoate;Citronellic acid;2-Methylbutyl 3-methyl-2-butenoate;3-Decenoic acid;Isopentyl 3-methyl-2-butenoate;2-Octenyl acetate;(S,E)-2,6-Dimethyl-5,7-octadiene-2,3-diol;Hexyl crotonate;9-Hydroxygeraniol;Methyl (xi)-3-nonenoate;2-Propenyl heptanoate;Methyl 2-nonenoate;Ethyl (E)-2-octenoate;trans-Dec-2-enoic acid;8-Methylnonenoate;2-Exo-hydroxy-1,8-cineole;Linalyl oxide;cis-4-Decenoic acid;2,6-Dimethyl-3,7-octadiene-2,6-diol;1-Octen-3-yl acetate;(+)-6-Hydroxy-2,6-dimethyl-7-octen-4-one;3-Methyl-2,4-nonanedione;(±)-trans-Linalyl oxide;delta-Decalactone;xi-Tetrahydro-3-pentyl-2H-pyran-2-one;4-Hydroxy-2,6-dimethyl-7-octen-3-one;Cyclohexylethyl acetate;Lilac alcohol;(E)-3-(Tetrahydro-5,5-dimethyl-2-furanyl)-2-buten-1-ol;6-Decanolide;Menthone lactone;Cnidiol C;Linalool oxide (trans-pyranoid);1-Cyclopropyl-4-methyl-1,3-cyclohexanediol;Linalool oxide III;cis-3-Hexenyl isobutyrate;xi-5-Hexyldihydro-2(3H)-furanone;(+)-cis-Linalool 3,7-oxide;(±)-6-Methyl-5-hepten-2-yl acetate;2-Hydroxycineol","HMDB":"HMDB0040726;HMDB0037021;HMDB0032275;HMDB0033377;HMDB0039768;HMDB0034427;HMDB0031003;HMDB0034581;HMDB0041012;HMDB0029358;HMDB0039795;HMDB0035837;HMDB0032393;HMDB0031002;HMDB0040530;HMDB0031297;HMDB0035122;HMDB0036211;HMDB0038744;HMDB0029859;HMDB0040208;HMDB0040194;HMDB0037497;HMDB0010726;HMDB0012183;HMDB0059610;HMDB0035907;HMDB0004980;HMDB0036990;HMDB0032452;HMDB0039149;HMDB0034880;HMDB0040727;HMDB0037116;HMDB0037632;HMDB0032119;HMDB0031362;HMDB0036099;HMDB0035839;HMDB0033203;HMDB0040330;HMDB0035365;HMDB0031440;HMDB0036992;HMDB0031441;HMDB0040213;HMDB0037217;HMDB0041630;HMDB0030031;HMDB0059852"},{"Metabolite":"6-allyl-8b-Carboxy-ergoline","HMDB":"HMDB0060782"},{"Metabolite":"m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(2,3-dihydroxyphenyl)prop-2-enal;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;Enol-phenylpyruvate;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;3-(2-hydroxyphenyl)prop-2-enoic acid;Cis-2-coumarate;Trans-3-coumarate;Methyl Phenylglyoxalate","HMDB":"HMDB0001713;HMDB0002035;HMDB0000205;HMDB0041592;HMDB0030677;HMDB0134031;HMDB0128076;HMDB0134029;HMDB0125104;HMDB0141768;HMDB0126545;HMDB0002641;HMDB0134030;HMDB0129375;HMDB0012225;HMDB0141767;HMDB0134028;HMDB0062655;HMDB0062774;HMDB0062605"},{"Metabolite":"Isosorbide Mononitrate;gamma-Carboxyglutamic acid","HMDB":"HMDB0015155;HMDB0041900"},{"Metabolite":"Tetrahydro-2,5-furan-diacetic acid","HMDB":"HMDB0059767"},{"Metabolite":"N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2'-Iminobispropanoic acid;hydroxybutyrylglycine","HMDB":"HMDB0062660;HMDB0062557;HMDB0029423;HMDB0061715;HMDB0033747;HMDB0094716"},{"Metabolite":"Pimelylcarnitine","HMDB":"HMDB0013328"},{"Metabolite":"Dimethylphosphate;Ethylphosphate","HMDB":"HMDB0061734;HMDB0012228"},{"Metabolite":"N-Acetyl-L-tyrosine;5-hydroxyphenylpropionylglycine;3-hydroxyphenylpropionylglycine;6-hydroxyphenylpropionylglycine;2-hydroxyphenylpropionylglycine;4-hydroxyphenylpropionylglycine;Salsolinol 1-carboxylate","HMDB":"HMDB0000866;HMDB0094726;HMDB0094724;HMDB0094727;HMDB0094723;HMDB0094725;HMDB0013068"},{"Metabolite":"2,3-Dihydro-2,3-dihydroxy-4-(4-hydroxyphenyl)-1H-phenalen-1-one;gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide;Musanolone C;Dehydrowarfarin","HMDB":"HMDB0032848;HMDB0031870;HMDB0037111;HMDB0060575"},{"Metabolite":"5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid","HMDB":"HMDB0003355;HMDB0013716;HMDB0001382;HMDB0015550;HMDB0002141"},{"Metabolite":"Argininic acid","HMDB":"HMDB0003148"},{"Metabolite":"alpha-Terpineol acetate;3,7-Dimethyl-2,6-octadien-1-ylacetate;Allyl 3-cyclohexylpropionate;p-Menth-1-en-9-ol acetate;Dihydrocarveol acetate;Fenchyl acetate;alpha-Campholene acetate;cis-3-Hexenyl trans-4-hexenoate;cis-3-Hexenyl cis-3-hexenoate;Isopulegol acetate;(-)-Bornyl acetate;cis-3-Hexenyl trans-2-hexenoate;Methyl 2-undecynoate;Geranyl acetate;Ethyl 2Z,4E-decadienoic acid;Linalyl acetate;(S)-Santolina acetate;Yuzu lactone;(3R,3aR,7aS)-3-Butylhexahydro-1(3H)-isobenzofuranone;Dihydro-5-(2-octenyl)-2(3H)-furanone;Artemisia alcohol acetate;6-Heptyl-5,6-dihydro-2H-pyran-2-one;(Z)-4-Hydroxy-6-dodecenoic acid lactone","HMDB":"HMDB0032051;HMDB0061816;HMDB0040206;HMDB0037301;HMDB0041469;HMDB0040725;HMDB0032193;HMDB0031692;HMDB0038270;HMDB0040227;HMDB0040397;HMDB0038280;HMDB0030945;HMDB0035157;HMDB0036599;HMDB0039522;HMDB0041494;HMDB0032901;HMDB0034903;HMDB0030867;HMDB0036048;HMDB0031030;HMDB0032331"},{"Metabolite":"Xanthylic acid;5'-xanthylate(2-)","HMDB":"HMDB0001554;HMDB0062755"},{"Metabolite":"D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;DL-Glutamate;N-lactoyl-Glycine;L-4-Hydroxyglutamate semialdehyde","HMDB":"HMDB0003339;HMDB0002931;HMDB0002393;HMDB0003011;HMDB0033550;HMDB0060475;HMDB0062183;HMDB0006556"},{"Metabolite":"Tiglylcarnitine","HMDB":"HMDB0002366"},{"Metabolite":"{3-[3-(2-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)-3-oxopropyl]phenyl}oxidanesulfonic acid;{3-[3-(3-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[4-(7-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)phenyl]oxidanesulfonic acid;{3-[3-(4-hydroxyphenyl)propanoyl]phenyl}oxidanesulfonic acid;[2-hydroxy-5-(3-phenylpropanoyl)phenyl]oxidanesulfonic acid;[3-(3-hydroxyphenyl)-3-oxo-1-phenylpropoxy]sulfonic acid;3-(3,7-dihydroxy-5-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;3-(3,5-dihydroxy-7-sulfino-3,4-dihydro-2H-1-benzopyran-2-yl)benzen-1-olate;[3-(3-hydroxy-3-phenylpropanoyl)phenyl]oxidanesulfonic acid","HMDB":"HMDB0135451;HMDB0135458;HMDB0135459;HMDB0141213;HMDB0135462;HMDB0135416;HMDB0135455;HMDB0127799;HMDB0127895;HMDB0135454"},{"Metabolite":"Aspartyl-Glutamine;Glutamylasparagine;Aspartyl-Gamma-glutamate;gamma-Glutamylasparagine;Glutaminylaspartic acid;Asparaginyl-Glutamic acid","HMDB":"HMDB0028751;HMDB0028814;HMDB0028767;HMDB0029144;HMDB0028793;HMDB0028730"},{"Metabolite":"2-Furancarboxaldehyde;Protoanemonin","HMDB":"HMDB0032914;HMDB0060503"},{"Metabolite":"Zileuton O-glucuronide","HMDB":"HMDB0060914"},{"Metabolite":"6-[3,6-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-4-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[2,5-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-hydroxy-5-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;Eriodictin;6-{4-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-6-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{2-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;2-[3,4-bis(2-hydroxyethoxy)phenyl]-3,5-dihydroxy-7-(2-hydroxyethoxy)-4H-chromen-4-one;3,4,5-trihydroxy-6-{2-hydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,5-dihydroxy-2-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5-hydroxy-2-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one;3,4,5-trihydroxy-6-{[3-hydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy}oxane-2-carboxylic acid;6-[4,5-dihydroxy-2-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{4-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,3-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenoxy}oxane-2-carboxylic acid;2-O-Caffeoylarbutin;6-[2,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,4-dihydro-2H-1-benzopyran-4-one;(2R,3R)-3,3',4',7-Tetrahydroxyflavanone 7-O-alpha-L-Rhamnopyranoside;5,7,8-Trihydroxyflavanone 7-glucoside;3,4,5-trihydroxy-6-[4-hydroxy-2-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;7-Hydroxyaloin B;6-[3,5-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3,5-dihydroxy-4-(2-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[3-(3,7-dihydroxy-3,4-dihydro-2H-1-benzopyran-2-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyaloin A;6-[2,4-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-3-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[3,4-dihydroxy-5-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{4-hydroxy-2-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{2-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(4-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(3-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-{3-[3-(3,4-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;Floribundoside;6-{5-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxyphenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-[2,6-dihydroxy-3-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{3-[3-(2,5-dihydroxyphenyl)-3-oxopropyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{2-hydroxy-5-[3-(2-hydroxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid;6-[2,6-dihydroxy-4-(3-phenylpropanoyl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[4-hydroxy-3-(3-hydroxy-3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid;Dihydrogenistin;4'-Hydroxyfenoprofen glucuronide","HMDB":"HMDB0135390;HMDB0135432;HMDB0135386;HMDB0135431;HMDB0128100;HMDB0135423;HMDB0135420;HMDB0037480;HMDB0135375;HMDB0135387;HMDB0135418;HMDB0141964;HMDB0135444;HMDB0135381;HMDB0135391;HMDB0135376;HMDB0130017;HMDB0140590;HMDB0135130;HMDB0135383;HMDB0135372;HMDB0135442;HMDB0135429;HMDB0134585;HMDB0031347;HMDB0135382;HMDB0124767;HMDB0040536;HMDB0038775;HMDB0135368;HMDB0041150;HMDB0128101;HMDB0130018;HMDB0135129;HMDB0135373;HMDB0040832;HMDB0135392;HMDB0135384;HMDB0135377;HMDB0135388;HMDB0135380;HMDB0135379;HMDB0135443;HMDB0135437;HMDB0135436;HMDB0033739;HMDB0134586;HMDB0135428;HMDB0135371;HMDB0135419;HMDB0135424;HMDB0135369;HMDB0039935;HMDB0060772"},{"Metabolite":"(1R,2R,4R)-1,8-Epoxy-p-menthane-2,4-diol;3-Hydroxy-5Z-octenyl acetate;6-Methyl-2-methylene-6-octene-1,3,8-triol;Ethyl (3R,5Z)-3-hydroxy-5-octenoate;(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol;(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol;exo,exo-1,8-Epoxy-p-menthane-2,6-diol;5-Hexyl-1,4-dioxan-2-one;(E)-10-Hydroxy-8-decenoic acid;2-Methylbutyl 3-hydroxy-2-methylidenebutanoate;3-Methylbutyl 3-hydroxy-2-methylidenebutanoate;6-Hexyl-1,4-dioxan-2-one;3-Oxodecanoic acid","HMDB":"HMDB0041545;HMDB0030369;HMDB0038692;HMDB0030367;HMDB0038978;HMDB0033010;HMDB0041376;HMDB0039587;HMDB0039533;HMDB0040204;HMDB0040205;HMDB0039582;HMDB0010724"},{"Metabolite":"Sertraline","HMDB":"HMDB0005010"},{"Metabolite":"Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate","HMDB":"HMDB0000237;HMDB0031523;HMDB0006961;HMDB0003052;HMDB0003453;HMDB0006458;HMDB0031229"},{"Metabolite":"N,N-Dimethylformamide;Aminoacetone;3-Aminopropionaldehyde;2-(methylamino)acetaldehyde;3-amino-propanal","HMDB":"HMDB0001888;HMDB0002134;HMDB0001106;HMDB0142435;HMDB0062210"},{"Metabolite":"Glutaminylthreonine;Threoninyl-Glutamine;Threoninyl-Gamma-glutamate","HMDB":"HMDB0028807;HMDB0029059;HMDB0029075"},{"Metabolite":"Trans-urocanate;(E)-Urocanic acid;Nicotinamide N-oxide;5-Oxo-2(5H)-isoxazolepropanenitrile;2-Aminonicotinic acid","HMDB":"HMDB0062562;HMDB0034174;HMDB0002730;HMDB0031338;HMDB0061680"},{"Metabolite":"Valyl-Aspartate;Hydroxyprolyl-Threonine;L-N-(3-Carboxypropyl)glutamine;Aspartyl-Valine;Threoninyl-Hydroxyproline;4-(Glutamylamino) butanoate;N2-Succinyl-L-ornithine","HMDB":"HMDB0029123;HMDB0028873;HMDB0029393;HMDB0028766;HMDB0029062;HMDB0012161;HMDB0001199"},{"Metabolite":"Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Leucine;Threoninyl-Isoleucine;Spermic acid 2","HMDB":"HMDB0028917;HMDB0028939;HMDB0029065;HMDB0029064;HMDB0013075"},{"Metabolite":"gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate","HMDB":"HMDB0001049;HMDB0028816;HMDB0028774"},{"Metabolite":"3,4,5-trihydroxy-6-{[3-(6-hydroxy-7-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[3-(7-hydroxy-6-methoxy-2H-1,3-benzodioxol-5-yl)prop-2-enoyl]oxy}oxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-5-methoxy-2H-1,3-benzodioxol-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid;6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid","HMDB":"HMDB0128726;HMDB0128728;HMDB0128727;HMDB0128725"},{"Metabolite":"N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-2-amino-6-oxohexanoate;(S)-5-Amino-3-oxohexanoate;N-(2-Carboxymethyl)-morpholine;2-Keto-6-aminocaproate","HMDB":"HMDB0000808;HMDB0000730;HMDB0094698;HMDB0001263;HMDB0015127;HMDB0029425;HMDB0029426;HMDB0059595;HMDB0012131;HMDB0061156;HMDB0012151"},{"Metabolite":"Marcanine A","HMDB":"HMDB0033757"},{"Metabolite":"(Z)-1-(Methylthio)-5-phenyl-1-penten-3-yne","HMDB":"HMDB0032688"},{"Metabolite":"Fructosamine;beta-D-Glucosamine","HMDB":"HMDB0002030;HMDB0030091"},{"Metabolite":"Dihydroferulic acid 4-sulfate;5-(4-Acetoxy-1-butynyl)-2,2'-bithiophene;3-[4-methoxy-3-(sulfooxy)phenyl]propanoic acid","HMDB":"HMDB0041724;HMDB0034454;HMDB0131144"},{"Metabolite":"L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid","HMDB":"HMDB0030402"},{"Metabolite":"Triethylene Glycol Monomethyl Ether","HMDB":"HMDB0062666"},{"Metabolite":"Dioscorine;N,N,O-Tridesmethyltramadol","HMDB":"HMDB0030305;HMDB0060850"},{"Metabolite":"Malonyl-Carnitin;(S)-carnitinium","HMDB":"HMDB0062496;HMDB0062634"},{"Metabolite":"Alanylglycine;Ureidoisobutyric acid;D-Glutamine","HMDB":"HMDB0006899;HMDB0002031;HMDB0003423"},{"Metabolite":"Thiosulfate;Hydroxidodioxidosulfidosulfate","HMDB":"HMDB0000257;HMDB0060293"},{"Metabolite":"Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid","HMDB":"HMDB0000036;HMDB0011637;HMDB0000889;HMDB0000932;HMDB0000922"},{"Metabolite":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione","HMDB":"HMDB0001369;HMDB0000805;HMDB0060262;HMDB0001843;HMDB0002234;HMDB0062585;HMDB0061093"},{"Metabolite":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;1-Pyrroline-4-hydroxy-2-carboxylate;N-Acryloylglycine;5-Oxoprolinate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid","HMDB":"HMDB0001369;HMDB0000805;HMDB0002234;HMDB0001843;HMDB0060262;HMDB0061093;HMDB0062585"},{"Metabolite":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;2-Pentendioate;Itaconic acid;2-Hydroxyglutaric acid lactone;2,5-Dioxopentanoate;Mesaconic acid;Gamma-delta-Dioxovaleric acid","HMDB":"HMDB0000634;HMDB0000620;HMDB0033809;HMDB0061185;HMDB0002092;HMDB0059743;HMDB0060365;HMDB0000749;HMDB0013233"},{"Metabolite":"Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene","HMDB":"HMDB0001190;HMDB0062503"},{"Metabolite":"(±)-3-Hydroxynonanoic acid;2,4,6-Triethyl-1,3,5-trioxane","HMDB":"HMDB0031513;HMDB0034040"}]
}

}