#METABOLOMICS WORKBENCH RohitSharma_20240103_094523 DATATRACK_ID:4553 STUDY_ID:ST003136 ANALYSIS_ID:AN005149 PROJECT_ID:PR001949 VERSION 1 CREATED_ON March 22, 2024, 9:50 am #PROJECT PR:PROJECT_TITLE Circulating N-lactoyl-amino acids and N-formyl-methionine reflect mitochondrial PR:PROJECT_TITLE dysfunction and predict mortality in septic shock PR:PROJECT_SUMMARY The aim of this study was to identify circulating markers that correlated with PR:PROJECT_SUMMARY severity and mortality in sepsis. We performed metabolomic profiling on 4 PR:PROJECT_SUMMARY cohorts: 1) patients with septic shock, 2) patients with bacteremia without PR:PROJECT_SUMMARY sepsis, 3) cardiogenic shock, and 4) healthy ambulatory controls. We found a set PR:PROJECT_SUMMARY of metabolites that out outperformed lactate in their ability to distinguish PR:PROJECT_SUMMARY survivors and non-survivors of sepsis. PR:INSTITUTE Massachusetts General Hospital PR:DEPARTMENT Molecular Biology PR:LABORATORY Mootha Laboratory PR:LAST_NAME Sharma PR:FIRST_NAME Rohit PR:ADDRESS 185 Cambridge Street, 6th Floor, Boston, MA, 02114, USA PR:EMAIL rsharma2@partners.org PR:PHONE (617) 643-3059 #STUDY ST:STUDY_TITLE Circulating N-lactoyl-amino acids and N-formyl-methionine reflect mitochondrial ST:STUDY_TITLE dysfunction and predict mortality in septic shock ST:STUDY_SUMMARY he aim of this study was to identify circulating markers that correlated with ST:STUDY_SUMMARY severity and mortality in sepsis. We performed metabolomic profiling on 4 ST:STUDY_SUMMARY cohorts: 1) patients with septic shock, 2) patients with bacteremia without ST:STUDY_SUMMARY sepsis, 3) cardiogenic shock, and 4) healthy ambulatory controls. We found a set ST:STUDY_SUMMARY of metabolites that out outperformed lactate in their ability to distinguish ST:STUDY_SUMMARY survivors and non-survivors of sepsis. ST:INSTITUTE Massachusetts General Hospital ST:LAST_NAME Sharma ST:FIRST_NAME Rohit ST:ADDRESS 185 Cambridge Street, 6th Floor, Boston, MA, 02114, USA ST:EMAIL rsharma2@partners.org ST:PHONE (617) 643-3059 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - RR_002 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_002.mzML SUBJECT_SAMPLE_FACTORS - RR_003 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_003.mzML SUBJECT_SAMPLE_FACTORS - RR_004 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_004.mzML SUBJECT_SAMPLE_FACTORS - RR_005 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_005.mzML SUBJECT_SAMPLE_FACTORS - RR_006 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_006.mzML SUBJECT_SAMPLE_FACTORS - RR_007 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_007.mzML SUBJECT_SAMPLE_FACTORS - RR_008 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_008.mzML SUBJECT_SAMPLE_FACTORS - RR_009 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_009.mzML SUBJECT_SAMPLE_FACTORS - RR_010 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_010.mzML SUBJECT_SAMPLE_FACTORS - RR_011 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_011.mzML SUBJECT_SAMPLE_FACTORS - RR_012 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_012.mzML SUBJECT_SAMPLE_FACTORS - RR_013 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_013.mzML SUBJECT_SAMPLE_FACTORS - RR_014 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_014.mzML SUBJECT_SAMPLE_FACTORS - RR_015 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_015.mzML SUBJECT_SAMPLE_FACTORS - RR_016 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_016.mzML SUBJECT_SAMPLE_FACTORS - RR_017 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_017.mzML SUBJECT_SAMPLE_FACTORS - RR_018 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_018.mzML SUBJECT_SAMPLE_FACTORS - RR_019 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_019.mzML SUBJECT_SAMPLE_FACTORS - RR_020 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_020.mzML SUBJECT_SAMPLE_FACTORS - RR_021 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_021.mzML SUBJECT_SAMPLE_FACTORS - RR_022 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_022.mzML SUBJECT_SAMPLE_FACTORS - RR_024 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_024.mzML SUBJECT_SAMPLE_FACTORS - RR_025 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_025.mzML SUBJECT_SAMPLE_FACTORS - RR_026 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_026.mzML SUBJECT_SAMPLE_FACTORS - RR_027 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_027.mzML SUBJECT_SAMPLE_FACTORS - RR_028 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_028.mzML SUBJECT_SAMPLE_FACTORS - RR_029 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_029.mzML SUBJECT_SAMPLE_FACTORS - RR_030 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_030.mzML SUBJECT_SAMPLE_FACTORS - RR_031 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_031.mzML SUBJECT_SAMPLE_FACTORS - RR_032 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_032.mzML SUBJECT_SAMPLE_FACTORS - RR_033 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_033.mzML SUBJECT_SAMPLE_FACTORS - RR_034 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_034.mzML SUBJECT_SAMPLE_FACTORS - RR_035 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_035.mzML SUBJECT_SAMPLE_FACTORS - RR_036 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_036.mzML SUBJECT_SAMPLE_FACTORS - RR_037 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_037.mzML SUBJECT_SAMPLE_FACTORS - RR_038 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_038.mzML SUBJECT_SAMPLE_FACTORS - RR_039 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_039.mzML SUBJECT_SAMPLE_FACTORS - RR_040 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_040.mzML SUBJECT_SAMPLE_FACTORS - RR_041 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_041.mzML SUBJECT_SAMPLE_FACTORS - RR_042 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_042.mzML SUBJECT_SAMPLE_FACTORS - RR_043 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_043.mzML SUBJECT_SAMPLE_FACTORS - RR_047 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_047.mzML SUBJECT_SAMPLE_FACTORS - RR_049 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_049.mzML SUBJECT_SAMPLE_FACTORS - RR_050 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_050.mzML SUBJECT_SAMPLE_FACTORS - RR_051 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_051.mzML SUBJECT_SAMPLE_FACTORS - RR_052 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_052.mzML SUBJECT_SAMPLE_FACTORS - RR_053 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_053.mzML SUBJECT_SAMPLE_FACTORS - RR_054 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_054.mzML SUBJECT_SAMPLE_FACTORS - RR_055 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_055.mzML SUBJECT_SAMPLE_FACTORS - RR_056 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_056.mzML SUBJECT_SAMPLE_FACTORS - RR_057 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_057.mzML SUBJECT_SAMPLE_FACTORS - RR_058 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_058.mzML SUBJECT_SAMPLE_FACTORS - RR_059 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_059.mzML SUBJECT_SAMPLE_FACTORS - RR_060 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_060.mzML SUBJECT_SAMPLE_FACTORS - RR_061 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_061.mzML SUBJECT_SAMPLE_FACTORS - RR_062 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_062.mzML SUBJECT_SAMPLE_FACTORS - RR_063 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_063.mzML SUBJECT_SAMPLE_FACTORS - RR_065 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_065.mzML SUBJECT_SAMPLE_FACTORS - RR_066 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_066.mzML SUBJECT_SAMPLE_FACTORS - RR_067 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_067.mzML SUBJECT_SAMPLE_FACTORS - RR_068 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_068.mzML SUBJECT_SAMPLE_FACTORS - RR_069 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_069.mzML SUBJECT_SAMPLE_FACTORS - RR_070 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_070.mzML SUBJECT_SAMPLE_FACTORS - RR_071 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_071.mzML SUBJECT_SAMPLE_FACTORS - RR_072 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_072.mzML SUBJECT_SAMPLE_FACTORS - RR_073 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_073.mzML SUBJECT_SAMPLE_FACTORS - RR_074 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_074.mzML SUBJECT_SAMPLE_FACTORS - RR_075 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_075.mzML SUBJECT_SAMPLE_FACTORS - RR_076 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_076.mzML SUBJECT_SAMPLE_FACTORS - RR_077 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_077.mzML SUBJECT_SAMPLE_FACTORS - RR_078 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_078.mzML SUBJECT_SAMPLE_FACTORS - RR_079 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_079.mzML SUBJECT_SAMPLE_FACTORS - RR_080 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_080.mzML SUBJECT_SAMPLE_FACTORS - RR_081 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_081.mzML SUBJECT_SAMPLE_FACTORS - RR_082 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_082.mzML SUBJECT_SAMPLE_FACTORS - RR_083 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_083.mzML SUBJECT_SAMPLE_FACTORS - RR_084 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_084.mzML SUBJECT_SAMPLE_FACTORS - RR_085 Study_group:Cardiogeneic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_085.mzML SUBJECT_SAMPLE_FACTORS - RR_089 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_089.mzML SUBJECT_SAMPLE_FACTORS - RR_090 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_090.mzML SUBJECT_SAMPLE_FACTORS - RR_091 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_091.mzML SUBJECT_SAMPLE_FACTORS - RR_092 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_092.mzML SUBJECT_SAMPLE_FACTORS - RR_093 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_093.mzML SUBJECT_SAMPLE_FACTORS - RR_094 Study_group:Ambulatory Control | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_094.mzML SUBJECT_SAMPLE_FACTORS - RR_095 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_095.mzML SUBJECT_SAMPLE_FACTORS - RR_096 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_096.mzML SUBJECT_SAMPLE_FACTORS - RR_097 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_097.mzML SUBJECT_SAMPLE_FACTORS - RR_098 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_098.mzML SUBJECT_SAMPLE_FACTORS - RR_099 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_099.mzML SUBJECT_SAMPLE_FACTORS - RR_100 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_100.mzML SUBJECT_SAMPLE_FACTORS - RR_101 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_101.mzML SUBJECT_SAMPLE_FACTORS - RR_102 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_102.mzML SUBJECT_SAMPLE_FACTORS - RR_103 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_103.mzML SUBJECT_SAMPLE_FACTORS - RR_104 Study_group:Bacteremia without Sepsis | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_104.mzML SUBJECT_SAMPLE_FACTORS - RR_105 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_105.mzML SUBJECT_SAMPLE_FACTORS - RR_106 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_106.mzML SUBJECT_SAMPLE_FACTORS - RR_107 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_107.mzML SUBJECT_SAMPLE_FACTORS - RR_109 Study_group:Septic Shock | Sample source:plasma RAW_FILE_NAME(Raw_File_Name)=RR_109.mzML #COLLECTION CO:COLLECTION_SUMMARY Samples were collected from patients with sepsis, cardiogenic shock, bacteremia CO:COLLECTION_SUMMARY without sepsis, and ambulatory controls. All subjects (or legal surrogates) CO:COLLECTION_SUMMARY provided informed consent to participate in this study, which was approved by CO:COLLECTION_SUMMARY the Mass General Brigham IRB. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY No treatment. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY 30 µl of plasma sample was mixed with 137 µl of ice-cold acetonitrile for SP:SAMPLEPREP_SUMMARY metabolite extraction. Samples were vortexed and incubated on ice for 30 mins. SP:SAMPLEPREP_SUMMARY After centrifugation for 20 mins at 4°C and 21,000g, 90 µl of the sample was SP:SAMPLEPREP_SUMMARY transferred to an autosampler glass vial for LCMS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY pH of Solvent A: pH9 CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters XBridge BEH Amide (100 x 2.1mm,2.5um) CH:SOLVENT_A acetonitrile/water (5/95); 20mM ammonium acetate CH:SOLVENT_B 100% acetonitrile CH:FLOW_GRADIENT 0 mins 85%B, 0.5 min 85%B, 9 min 35%B, 11 min 2%B, 12min 2%B, 13.5 min 85%B, CH:FLOW_GRADIENT 14.6 min 85%B , 15 min 85%B with 0.420 mL/min to 18 min CH:FLOW_RATE 0.220 mL/min (0-15min), 0.420 mL/min (15-18min) CH:COLUMN_TEMPERATURE 27 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Data was collected in switch polarity mode. MS parameters were: sheath gas flow MS:MS_COMMENTS 50, aux gas flow 10, sweep gas flow 2, spray voltage 2.50KV in negative & 3.8KV MS:MS_COMMENTS in positive, Capillary temperature 310°C, S-lens RF level -50 and aux gas MS:MS_COMMENTS heater temperature 370°C. Data acquisition was done using Xcalibur (Thermo MS:MS_COMMENTS Scientific) in range of: 70-1000 m/z, resolution 70,000, AGC target -3E6 and MS:MS_COMMENTS maximum Injection time of 80ms. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS AU MS_METABOLITE_DATA_START Samples RR_002 RR_003 RR_004 RR_005 RR_006 RR_007 RR_008 RR_009 RR_010 RR_011 RR_012 RR_013 RR_014 RR_015 RR_016 RR_017 RR_018 RR_019 RR_020 RR_021 RR_022 RR_024 RR_025 RR_026 RR_027 RR_028 RR_029 RR_030 RR_031 RR_032 RR_033 RR_034 RR_035 RR_036 RR_037 RR_038 RR_039 RR_040 RR_041 RR_042 RR_043 RR_047 RR_049 RR_050 RR_051 RR_052 RR_053 RR_054 RR_055 RR_056 RR_057 RR_058 RR_059 RR_060 RR_061 RR_062 RR_063 RR_065 RR_066 RR_067 RR_068 RR_069 RR_070 RR_071 RR_072 RR_073 RR_074 RR_075 RR_076 RR_077 RR_078 RR_079 RR_080 RR_081 RR_082 RR_083 RR_084 RR_085 RR_089 RR_090 RR_091 RR_092 RR_093 RR_094 RR_095 RR_096 RR_097 RR_098 RR_099 RR_100 RR_101 RR_102 RR_103 RR_104 RR_105 RR_106 RR_107 RR_109 Factors Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Cardiogeneic Shock | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Ambulatory Control | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Bacteremia without Sepsis | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Study_group:Septic Shock | Sample source:plasma Riboflavin 2374524.145 1721922.827 94670.89734 316689.6119 113478.3163 307858.373 8105495.763 1688292.496 473975.6867 1966149.676 1208957.524 1321762.073 76610.77605 1521149.757 541623.1169 1629345.955 1528553.074 208573.6803 432205.3775 1429954.367 12852.70103 2224497.774 3599206.625 571211.2955 1087839.158 1825386.353 1274660.332 1828427.354 656303.8856 464078.0746 121077.9845 697972.3643 2531689.293 133994.5435 355654.2076 2953979.621 1634113.254 207225.9273 491619.9573 159896.203 158343.7982 4742918.871 689449.219 1256513.888 229317.7445 983371.9794 256965.2181 919228.304 494203.161 1003666.883 311893.6199 1183692.457 1391228.09 900475.07 707175.7599 426591.7262 440093.9743 630426.7399 43141.78067 229821.5239 320253.1014 2472174.845 1763446.327 198216.597 254008.5774 962983.7852 3680194.107 402666.9766 285603.6237 231204.2401 4443310.875 871164.8709 471155.7087 447276.2931 236010.5031 512901.3155 753910.9415 312559.1406 183482.131 8195861.952 1450011.223 229411.0838 282413.7772 41027.89933 1981738.599 1406292.021 639142.9671 1606610.831 810819.6637 157323.0911 531463.7215 1798947.266 334675.0502 1809438.188 6686481.974 2368714.704 3099738.85 3935167.534 10-Hydroxydecanoate 61423188.09 21575722.37 14306106.12 11883435.62 7466794.76 11526023.23 46972629.13 37554422.79 14646251.24 12307446.01 16996404.89 21966554.75 18042215.2 19374509.73 12456434.49 116704600.7 10218999.17 12811654.86 23068988.54 5843293.554 32186.9432 15389921.51 18838729.92 6712463.912 14574269.36 11327208.6 62541103.94 16431445.6 22756419.64 22880058.03 15774468.73 16018850.38 37634051.3 7844363.902 20311028.83 9598335.984 12317835.7 10620995.14 5075578.001 6207615.339 9210421.053 5155188.761 13906889.83 20939931.91 18439289.75 20777261.86 10503417.47 6511538.238 10185644.75 8771887.879 8784252.696 68053146.26 14251700.34 25461537.77 7433383.636 10615655.57 11939660.56 33303212.52 20556796.14 14663955.87 3488679.248 17052553.6 14916912.1 27626663.09 27909452.58 25288559.13 11888085.83 9484324.403 16941200.77 21057204.94 30688162.66 9290011.264 14249736.34 48607297.72 14807856.53 9842494.147 14453986.94 6147076.936 16782013.17 56623602.7 9468424.896 29162952.3 25439849.42 22991981.06 22346353.1 19358161.9 19529971.56 10605917.22 14945425.19 9524468.835 19916667.51 16044826.48 10330031.05 51064012.51 28816546.53 7911447.594 14780061.24 51536285.66 1-Aminocyclopropanecarboxylate 3924027.512 2783813.761 2192650.809 1085152.654 2380808.195 2943093.446 3003297.72 3694257.242 1314214.462 2352284.323 3097161.15 1311975.777 2744157.645 2522739.458 1959260.745 1239987.953 1845820.863 957485.0373 1831866.604 1313285.311 104280.1757 1740010.621 2484760.962 3197730.723 2174159.95 2543483.125 2978487.277 1896936.452 2254194.525 2628491.525 2598089.684 2356161.264 2622534.406 1257665.409 5018150.45 1051083.919 2554419.239 1786217.315 709765.8905 3357139 1549219.534 3292998.467 2380620.492 3089349.807 2475507.046 1940442.379 1119374.508 2264462.063 1507128.63 2141113.301 973666.2959 4423767 1342401.341 2149773.596 1545330.19 1503524.592 844403.4521 3880499.799 808249.2075 787096.6566 1872279.498 3205075.473 888415.044 2146514.36 1580771.86 1364972.366 1962527.045 624515.26 1066141.804 1178562.918 1719538.886 1502887.625 1418294.079 1337573.417 1989967.561 1587747.302 2117119.039 1602753.37 1865651.437 2259229.485 1178551.896 874034.5893 852115.2297 1662284.017 3499542.729 11262290.83 2916849.574 4122463.872 1084555.165 1368964.628 2471733.631 3599685.356 2082824.49 1315818.099 4250813.913 2552963.078 4696558.298 2258169.377 1-Methyl-L-Histidine 3675737.918 3598683.882 1421939.885 1088674.909 7593827.821 8340973.736 6144850.768 11352951.2 1128559.857 8769569.441 3607259.196 19522402.69 2774853.622 3312370.194 2188867.826 1322465.907 2697872.146 2361692.548 3206594.962 2376478.953 17310.17604 1894788.762 8462070.36 6840735.173 4658077.36 5144810.15 3818465.353 31027816.27 2841728.453 16733684.76 3609021.746 3465605.38 1764217.016 4643244.787 5098995.432 10879092.32 3437095.358 7406947.123 1502370.89 23899955.19 1041544.388 1184068.499 3854565.92 3377972.665 2759200.663 6360906.84 786533.2814 8262204.695 5102700.164 2971221.483 502331.5589 11556988.01 2964335.094 2231378.426 1549488.645 1891249.956 4780906.823 1554317.415 1557531.321 1381100.102 920101.9776 6571880.638 3010666.759 6277483.146 1953973.102 2259344.826 4977479.905 2675980.926 2514305.517 2051031.779 5984266.892 2465134.643 1523501.391 1533203.207 3033474.688 4247001.617 4971824.395 1480275.309 1479457.952 6173086.665 896100.7368 1076514.441 2103137.208 1306316.872 12477992.21 13750643.37 8240697.007 8553628.972 1711568.568 1747821.763 2866758.271 8480740.025 8947408.358 1571272.961 4423822.996 1857951.412 6208202.459 3304957.503 1-Methylnicotinamide 618661059 160013059.6 8089775.583 33398290.02 10332314.89 31801797.65 234682556.6 81831269.61 110446490.8 19866765.93 62877145.89 46997336.07 64994931.28 58486322.27 19424199.18 241436840.2 20494580.85 16673508.4 51764319.06 26011069.03 367837.5956 42909426.68 94468003.76 18578030.17 13115134.43 24301901.96 294762058.5 75060364.39 42541161.77 66082326.08 20159109.32 140182359 116561209.4 165891715.4 25128919.18 48286544.04 102397094.2 22265889.75 58671276.65 5076344.891 11620447.26 146827044.3 14378136.52 58142555.1 15523240.25 16923841.54 8288507.76 9191738.391 96045133.96 112571470.9 4954317.051 234730040.6 51431346.42 42419488.72 13347396.56 23125713.98 73174116.8 98842351.57 14264199.64 18846919.85 15304760.59 59450100.04 29821556.27 128191003.9 34525166.39 202281789.5 39635233.01 41083726.1 44451166.11 41565013.59 42901878.14 71984491.53 52626052.15 26957356.72 22836093.93 41214684.71 16782751.2 17366693.99 41410130.68 498444060.7 41407156.93 10336948.4 10383785.65 193474964.6 28608258.27 57457520.43 45591532.94 65440158.19 49370111.65 20491526.4 18409168.57 88897533.83 132437878 57305656.57 228613946.3 83867811.57 85059320.96 786645374.1 1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione 748354.3826 737208.2902 1823131.81 8040811.36 1406382.68 683845.426 529842.6349 541186.9656 1271859.81 702018.2032 784762.1258 757560.0914 5879009.568 513904.3669 1521913.549 383388.4758 1226410.568 2174397.916 2324761.074 3972031.868 12197.52097 4221269.323 1633112.817 628506.8839 588320.8462 575209.8 1588114.27 1225753.184 4725816.638 645492.6925 2463656.962 569833.2439 1127204.361 622691.3086 3273548.454 3685903.783 2895776.445 472118.0218 3556569.906 924168.3383 7028737.785 7115066.305 1439917.945 3208666.922 3841671.46 4396516.627 6065886.495 1199796.633 872411.1916 6075795.998 4709261.82 1633343.793 5095361.092 4415076.869 6666774.332 1919642.497 5634702.742 3073319.095 3648949.518 6363436.79 1991230.843 789936.4346 900638.2537 4159390.012 5411395.841 4954375.368 525464.569 3227239.181 3014769.796 7155880.703 2393830.875 3195464.261 7472327.858 10456641.85 6374819.659 6327031.009 766120.3556 2108985.601 7019999.892 581533.3285 17709895.09 4155455.399 5405677.533 9511461.896 1290129.067 985295.4299 932562.6556 730333.279 3263547.403 607756.34 621387.4866 727732.3187 3072911.565 2823282.433 504307.8843 5940692.238 849064.6286 1538451.886 Aminobutyrate/Aminoisobutyrate_01 165026072.1 155652671.6 60776068.94 65091480.26 69662537.83 103416116 170219632 108733907 108071293.6 236241826.9 97921232.32 122673299.2 25043046.44 216908354.3 50842763.19 51326485.35 100432839.2 86529396.24 54238612.87 30256806.14 1144854.302 72402564.37 136702174.8 116048523.4 82941196.08 78029584.86 93409000.12 121774002.5 123551708.2 96502859.85 103784760.1 126447632.6 61082164.42 100935533.2 146877195.9 116571587.7 120733242.4 216547792.9 73748095.86 44887147.51 66125868.28 90691697.81 279986710.8 128104676.3 85050894.67 140517162.8 35103422.71 70503458.46 136150156 37776477.62 59362929.61 262765504.5 84288852.05 65766844.24 103346280 83956638.93 89754044.59 35549432.37 71294441.75 66403294.09 70431012.84 74954207.06 56626102.9 75690364.2 70700883.91 89662155.15 113548455 63811001.02 72215258.16 57572233.36 83784211.81 110014755.4 63409012.89 69367557.87 112810815.8 102452275.2 128531711.9 60654039.49 119020129.7 167779677.8 17367036.34 49518591.36 72858084.05 64396180.46 141921068.4 135068921.7 101546617.1 86281620.95 89748248.33 88329109.12 58001699.17 150139507.7 132944989.4 78483958.42 49769468.33 135054097.1 99416632.83 71135324.19 Aminobutyrate/Aminoisobutyrate_02 177560936.7 189535654.9 130532749.5 162810461.1 297268962.7 399191019.8 106863262.3 226393039 140739873.6 218199408.1 246522871.5 136097067.4 389204968.2 335781672.8 271309184.8 74102963.27 164172704.3 142963978.2 154057702.1 151608960.7 1344504.747 224729761.5 172591977.8 88403716.13 155407757.4 132182563.4 380400390.7 136912119.3 243238864.3 210739554.5 249191733.3 158961770.9 76116660.04 44966136.68 265876624.5 140433154.7 218372639.5 384207227.4 122869743.4 70346743.73 182679513.5 277852709.2 117293951.2 222861637.6 440392535.9 116406090.4 176620099.2 262466205.3 184675712.8 113950384.4 198793200.4 182949300.4 82700431.16 332440018 199374524 321106170.7 195251145.3 256664215.4 198768256.7 130940912.4 250399441.8 93979788.39 117643298.7 154328148.8 254627439.4 257622283 83639388.16 115254888.7 137853807.2 221432957.4 376815041.1 192157716.7 187593512.8 170495311 173166382.2 174468027.3 197208973.4 162079983.1 256885028.2 104795856.1 276100613.4 145531933.3 133754491.1 191794040 363665720.4 134515248.9 127430123.8 214081867.1 272719143.9 73895550.1 117126448.2 160352123.7 176799896.6 189976235.6 109143896.3 127955858.5 357325501.5 72811670.85 2-Deoxy-D-Glucose 38759702.9 9444913.571 2215377.032 2498474.377 8341214.559 13419530.83 50283924.42 4435866.72 13967953.71 16531817.58 6680552.665 29395460.52 811018.3586 5483866.326 1429183.651 11658653.89 4541302.224 30177509.76 7828477.366 16442123.5 29478.85424 4251986.073 3638387.329 18954790.83 5658858.451 8722375.789 2792297.422 10718443.68 2568789.154 25095069.57 3252277.019 5659274.431 4516094.611 10888745.88 9762100.878 7736537.02 8282454.441 11383999.11 1946746.309 20046559.78 3314895.446 9960667.32 25303031.12 1513184.935 3281969.329 14441711.81 536774.2952 11708711.16 13033414.79 8886628.119 13831700.95 24377807.97 8689780.094 3839902.298 7900031.374 2750572.455 6896769.071 622153.1745 4337444.444 18641801.12 1133736.142 204039287.6 8304102.299 16240099.56 21684908.94 8075143.12 35130544.67 44708372.89 32708939.49 15099221.08 18839413.76 6437253.84 30214244.35 3800148.327 3195441.775 20411296.72 5527839.818 5605706.726 1423545.038 45602650.22 786305.0431 6686312.247 14261189.09 1632317.154 8104632.505 47724578.74 59484482.32 13535051.57 1463524.634 11790065.46 8553115.287 21651059.94 51573690.27 6072722.984 18896645.68 8724694.583 24514771.7 10340732.52 2-Hydroxy-4-(Methylthio)Butanoate 79981656.1 28715453.75 23885200.51 17734656.56 40142052.75 20654663.31 60924023.66 148229620.5 4000474.57 12100352.68 20207189.39 94301961.1 21142869.67 127824719.6 25779923.29 14835726.43 10516572.86 7942593.528 17772159.47 18885401.9 86277.82184 11928509.83 12593072.03 11327131.45 36876741.08 15348875.38 25611473.75 36854981.91 14506750.88 40510825.31 48970901.42 41695084.06 54312866.98 45534149.89 54935518.43 11305418.03 20517186.65 55935645.66 6818428.368 49445384.36 8986715.171 28138494.83 23741576.96 25912308.26 32299740.34 17087022.14 15408771.21 16038019.65 10825020.6 15221788.53 6475457.334 116890341.3 5742782.078 45818424.83 22235445 26580218.31 5346033.872 43454719.77 9257634.11 5907075.843 10296283.88 9663546.281 44612780.81 15846367.21 4782209.396 4911680.296 18381827.77 5161635.429 9404602.702 13964500.2 15199371.82 15789520.06 6195002.784 4188579.693 12493673.93 10946955.52 27982673.23 11459991.58 6127274.198 60706801.64 1517329.073 5710121.562 11096498.89 7872954.55 51360296.78 14422639.97 28654680.09 69078521.41 14364141.5 29824419.92 60039965.84 25110539.38 31139592.29 6185484.76 52403854.77 32322238.85 65014973.3 47440261.53 2-Hydroxybutyrate 438175345.1 187462817.4 216518697.2 301840396.4 323022049.2 280844907.4 279294806.3 418431142.5 251054382.5 232754231 325756367.7 262951611.5 353426805.2 84031287.31 339178594.7 100767114.4 223227664.4 85650038.66 177734343.4 227651720.3 321262.0166 340452894.5 103774813.4 105522653.2 388299134.1 286610615 394258867.1 364551231.8 120309955.9 527895356.8 160102295.5 390112902.3 299015155.5 87605245.36 217633628 141438373.1 162152689.1 574548508.7 145554902.1 291443594.8 79730148.48 218049045 263032553 420803806.8 334856554 91708174.89 186979752.8 319988002.2 106724189.9 144911913 148742566.3 130022971.5 73545371.43 341399155.2 170020859.7 455662138.4 130131853.8 263935328.5 125996666.5 133295058.4 119041891.2 167657343.7 245545870.1 97042806.71 59368082.93 132734796.5 247291794.8 84719971.62 75405381.85 156430626.3 270700565.5 507049299.8 79053653.46 176045063.1 147816772.7 132672967.1 144504993.8 217120880.6 91155540.15 112915064 339472896.6 117957692.4 111427931.6 108405139.3 454095246.2 266378034.9 209605066.4 594422768.5 239455780.6 339473104.9 237349220.9 301204616.6 215078424.3 157832324.2 262014747.8 216847378.2 741262790.2 237332716.5 Hydroxypyridine 831798.1774 1912490.478 3769785.272 709880.8491 389994.8674 5371984.917 336824.9548 887110.5036 1806252.166 989401.7269 614989.4174 2658555.114 22734931.19 484498.5952 634572.9419 8898177.05 500284.3164 31710741.57 9722689.838 25301699.93 513430.4349 2345436.12 1788662.989 7091137.171 5912568.811 1736957.609 22597377.53 2514625.721 1890206.077 810063.9095 3217883.472 682316.6818 909212.2127 11750097.72 375964.3005 4984108.362 2092865.435 1996936.226 629538.4499 911661.9629 9713045.806 9595535.307 3652207.213 506129.4102 3621683.777 31542240.5 310832.1377 4313228.473 275667.5928 269999.1223 1256581.246 3996606.258 1893461.461 4078253.898 11744663.93 1924232.155 10455006.34 4060370.094 11143878.14 19032253.61 3733653.141 3730361.108 10771654.7 204797.9461 60978555.05 3594943.743 9120586.373 5606271.498 14391744.94 16683674.02 12595283.87 542271.8799 69779387.88 11332042 372929.3615 30356534.9 2686845.662 333053.2275 7566656.334 559519.039 1499364.394 10182169.01 26769069.03 183207.7304 895013.0656 3513046.896 7126727.561 693488.3717 543859.8439 217118.0467 1005619.638 833510.8957 4679524.552 8867923.746 1820090.085 334114.8208 58716.67144 584379.081 2-Ketobutyrate 53816843.31 80082841.44 83286129.34 80842004.45 129862060 118783455.4 55922203.64 95060234.97 70822576.94 84259955.94 136290280.7 76793481.66 149156161.3 209823232.7 154431944.5 14455693.76 100260328.7 23157451.95 78899429.75 77554392.81 1222877.307 76305175.47 32846339.62 28604881.47 123809769.2 55145477.91 107090254.3 114730387.9 75183161.44 112280844.9 121025304.6 81403524.49 65089201.6 35373942.74 103234716.1 50080627.88 80271263.5 233026917.5 49498042.92 55012080.6 51755952.41 106564671.3 76930319.94 121340414.7 173343546.7 22016741.7 123845248 127753896.1 42854896.26 61847998.19 67599427.43 29798687.24 34731328.97 116308094.9 77738710.7 182162372 61290808.04 94580600.42 69285340.28 56153900.17 50360212.82 60672253.2 91080873.65 39335455.61 36129260 50384803.07 61600372.24 23453957.05 40258983.75 80328640.32 110856706.7 76301525.82 37376631.24 80686270.39 61815145.36 53054823.61 58030051.68 81728327.65 48361903.81 44425851.05 175660626.4 48527142.55 49729180.96 39615741.87 153745129.5 69768766.09 44530863.11 112875143.7 88706187.49 68528967.27 67983049.32 103229230.8 73739281.82 72752344.22 28076937.11 63395998.83 173066026.7 36733608.92 3-(2-Hydroxyphenyl)Propanoate 245838640.1 56062054 27590647.59 38423327.02 36117549.69 19837216.28 110955261.6 287760929.4 12072804.57 44864960.06 46296960.62 63421207.82 42313208.44 60362311.48 160721563.4 50112197.76 19644560.42 7894141.827 25517462.14 13235409.36 30822.33182 7394714.881 22722048.12 14276632.75 60704877 25675249.65 77329258.95 59483656.21 18657932.69 41840278.1 32668648.78 79227574.28 273362565.1 89907233.03 239402846.6 37303353.07 34621436.41 82149115.93 12095341.19 29973866.57 10405821.07 74431705.17 44471844.58 57004105.34 47617616.07 4764134.327 17466064.65 62933685.81 21096337 32176959.83 8213617.54 366244435.9 18794142.16 45529546.15 30076987.67 50016556.65 5792305.265 84327768.2 8743597.131 6717606.751 16102304.55 65729987.68 139466973.6 17288045.27 15197110.51 5931757.977 11514872.16 13586113.54 5860809.166 8644616.586 14044324.33 39014935.52 6224464.928 4610106.504 15884809.93 8110160.655 82724794.75 17380642.13 17016305.74 536915712.5 11140388.25 8667647.686 18245232.57 5347528.665 94193655.81 12808806.7 19832490.38 47344634.59 10448899.04 23486260.61 68372262.35 71164304.09 142738779.9 44984583.87 305812982.5 98913080.72 89933795.84 640474011.5 Aminoisobutyrate/Aminoisobutyrate__03 31079819.23 28754748.21 14380878.13 23427968.95 38775241.53 55305705.19 18402624.89 35007025.74 7953496.635 15049049.58 26676927.37 20546504.5 45184876.65 74357988.27 36461101.93 4502740.379 11917443.19 18844117.56 34411097.31 14485183.27 14136.88372 28120272.96 16955834.2 6896441.197 12898895.63 16526704.04 39062461.89 25559213.15 37388220.24 26536711.75 22550589.17 18246061.4 6968084.117 2171788.317 27018588.33 18101349.47 28332115.34 51428273.84 14505145.63 9117264.071 26032981.63 37089488.63 6467663.183 31515933.58 72731044.55 10499850.23 20951069.75 39183392.47 24466149.33 12793215.78 21101192.57 25252792.23 7510400.657 38187933.42 27402934.41 52687556.92 27983114.99 38084628.24 31868860.21 17783218.85 23596130.48 8671612.977 11838327.03 19185046.5 32416489.54 33813167.76 9897132.241 13933173.97 22865483.08 37150077.54 40319338.19 25221872.05 20055515.55 18811593.5 17497182.14 23189821.76 16869647.25 12950281.72 36311785.96 10500456.28 35175686.36 24108226.52 16121689.6 24454696.57 26156017.54 213401456.1 18917649.75 23372572.49 39194717.85 4608976.002 9986837.68 23189849.7 40760301.77 15939837.33 22889149.56 13795995.25 32583244.84 11063275.85 3-Aminophenol/2-aminophenol 2095177.375 450350.2243 539171.2299 406941.8713 558984.1275 522400.5759 1033335.512 416687.2132 570945.0652 4004524.148 656900.7967 1117042.668 731710.014 434286.2179 602216.498 1562440.288 3042965.745 1132701.684 569449.0033 1011859.602 39463.89815 553668.1038 703852.3882 4492872.617 4685947.37 550115.5875 3087333.582 17681447.29 566209.8138 4577482.025 2094080.966 486223.5082 485070.5207 656726.8679 651829.5357 1421194.021 585658.9555 406358.8436 450476.4002 1810360.635 817144.6234 611727.8975 2255627.624 467020.7718 1623404.58 491083.4145 3774299.706 2095666.966 2918623.014 1551887.589 656138.7304 499315.1079 1255219.129 669231.2052 991938.1737 761100.5572 452096.9914 2045164.829 401315.5611 357707.1926 701124.7441 5975235.676 1259185.172 526698.5449 547816.4735 563161.2945 844037.2937 1310090.034 436950.3528 474923.3998 557675.664 1757170.907 747492.2234 561328.3069 543505.1753 478142.4529 2223642.024 590352.3652 652313.1944 1221848.156 528324.2674 433750.8849 402487.7702 565886.5724 528410.5411 1229733.656 3445726.824 732548.181 446037.8228 547935.1216 604141.2652 469334.9257 5940648.523 2979611.048 824404.8619 845251.0391 1083524.102 6791665.44 3-Aminosalicylic acid/3-hydroxyanthranilate 29858377.23 16417013.31 1448564.152 2157742.423 12370913.86 14810341.69 32445331.18 22319141.37 7560688.187 9762678.818 9344517.906 20364583.33 10094979.82 11341162.45 6022041.99 2607628.539 3970414.325 4804478.134 5154618.558 10104225.5 18911.77074 10403320.65 12517912.31 13030263.89 10059230.4 7084672.856 9658158.67 22088298.45 5267876.873 37622286.34 3555826.433 5738841.367 16491451.99 10880363.03 8493012.967 18147760.46 5883671.031 2134830.923 3492275.615 60895009.24 730487.6947 6365690.037 5705919.376 7977270.72 254989.7091 6763522.846 389764.7342 5039514.357 12248026.74 15630508.58 889292.752 19975210.36 6734215.857 1806602.008 6140929.891 863472.8693 7827879.243 2813895.556 1242700.749 3020094.902 1265540.02 19806504.66 4366104.021 14401689.94 934888.2075 9177766.46 29921624.49 5005703.632 3505129.257 3527840.267 19469618.65 4040069.698 3895730.618 1851833.143 1414474.532 6778121.319 7719597.65 2762387.281 2942846.762 30223145.23 8789589.983 736658.3191 3120773.786 247607.4109 15798127.67 30376141.5 20885463.88 27847768.39 13483898.39 4693090.068 7589770.474 35200031.92 13564957.4 6298000.16 13353998.2 5711441.495 26724191.3 18832803.95 3-Hydroxybutyrate/3-Hydroxyisobutyrate 449187477.9 630369619.6 147052213.3 692976333.1 77053807.96 258728406.9 230506946 826860704.3 218082811.2 450260083.4 1472616514 912517425 5937497185 403205096 381198572.3 88978112.05 5354346210 174471521.8 1442957972 170161082.8 513440.6646 1309934719 109249492.5 24459554.81 656645189.5 557065156.9 410746531.2 824174484.2 214598938 277136815 777671422.3 648202106.2 2031729257 66095859.56 294638447 190391037 510105599 1713801280 78501672.94 4110706743 234731546.1 208264401.9 236951195.2 297043307.8 337053031.2 195468340.4 1595677993 86034279.52 22008799.79 187316621.4 120791444.8 84077069.54 120965301.8 917822875.7 130082504.8 2153335680 143195583.6 246853412.5 401936407.2 172661302.2 192617796.2 1842576815 182769052.2 157399334.3 114677900.8 1685740229 912049856.2 16006002.62 201048074.5 312676063.9 1849825101 487227932.7 345824306.7 797422867.4 1186162116 124566001.2 267094615.9 26353208.48 244407961.7 199031582.9 2043837003 349523620.7 91505372.78 95455200.45 1692742321 2270390961 317299313.9 2833838069 179910439.1 133234757.2 1068825012 782873085.7 896049290.7 176721478.4 145746484 194936058.7 4606908478 1287544622 3-Methoxy-4-Hydroxymandelate 43835518.77 19019446.6 6643903.371 3684480.148 3788901.204 7824167.907 13998704.71 43822793.43 854022.2152 7569204.719 5303696.015 7785574.68 3203059.31 7411886.874 3087159.245 1663057.154 4987020.657 1250436.293 4603451.726 2346785.115 22591.91805 4104837.959 4932819.955 5125284.339 7321989.587 27040347.32 4740321.126 10172309.92 1751748.972 16045278.88 2734278.361 21487698.43 34804486.53 10381273.69 14334268.79 3871110.901 1877422.482 9757333.185 1218604.734 31067446.28 713235.8177 819688.1724 4531438.817 1455535.629 1523402.526 1496980.607 726968.9372 4140941.791 6982582.833 3753461.892 916703.3713 3067799.707 2387969.894 1969834.049 3653648.529 1923922.655 1911612.125 3137866.207 1074641.167 938617.7881 2578003.609 37735467.04 14178920.45 3250200.493 1002446.095 828635.2797 14583470.61 3796458.819 840889.104 1390525.999 3665386.746 1455592.929 838992.971 1061692.856 2352539.691 2179578.54 6961888.826 2674584.082 1493605.734 14714260.31 1316885.265 1948299.598 1507581.673 741698.4392 13345518.53 165578920.1 31073503.5 25402233.94 1595350.354 12220362.83 21767511.78 21099000.14 90150639.12 1220261.38 45869020.04 5230601.28 77144665.84 16305642.27 3-Methyl-2-Oxovalerate/Ketoleucine 939982741.6 407250539.3 441694358.9 475219645.1 1432599647 1114899203 279112359.7 293763733.8 1060263857 1220387222 1648242032 583029672.7 2462065759 1755730111 1219491873 639747915.7 1343090459 1026117254 659269831.6 748599619.8 548495.5316 785102065.3 930664715.8 604355173.1 490176823.2 517669576.2 484323074 1424427920 1474346061 432903983.8 2462381717 560878144.7 1290243993 423954838.5 987250513.4 1103824787 1551380002 1708110293 1015687496 287305271.2 1424558190 919064805.7 1077634393 846044905.7 2450520203 602067569.5 816663431.5 1271325468 477885897.6 722306436.1 1496122437 522877961.7 1219932871 1435423252 910217763.9 971736036.6 1023732209 878267960.9 1425475493 1058012827 1223251645 1026566033 816083819.4 901358435.3 717322804.3 1475598205 483558218.8 765105032.4 922920101.1 1570056063 1084702702 1962992019 622835731.3 1702751343 1137034615 1222475286 706333725.7 1839481156 1630427425 792303210.4 1322247835 1439243321 1194420025 1636129512 607797867.9 387359452.6 367622116.1 1137311800 763009425.6 893218702.5 776099660.7 709979767.3 1079809057 433039456.8 893488844.3 263144466.5 833492916.2 174466759.4 4-Acetamidobutanoic acid 51014175.26 26386430.68 21834705.57 2319077.24 29509570.69 37665540.11 95982688.84 37249295.64 11312667.05 39772163.79 27804427.87 21816205.67 47836744.78 12501810.69 4055977.924 7649814.215 14509235.47 7435806.806 42524072.54 2459727.326 46849.72797 13388923.17 9123678.159 21552012.25 23215568.73 40682419.42 9154358.672 25268012.52 6039326.789 56765081.19 3273232.246 12148214.86 32652662.93 32344950.28 70891966.66 8231016.205 7933413.793 12519102.85 4163593.847 216500647.4 1677264.79 21636588.2 20975788.14 12470946.05 9168060.824 15812025.61 1719914.603 14526399.32 11458524.87 19166428.21 3657278.994 19910838.12 14698063.69 9096968.073 12314319.03 4223740.374 5000496.68 7394458.376 2973234.624 2695755.243 15136147.52 79346119.24 24537552.79 12210495.02 4518291.053 3670011.169 26530158.45 6072508.886 2612117.456 3655076.421 13382655.81 5628929.3 2970367.018 3737618.43 8356227.653 7856089.659 17700384.5 7930964.128 5305836.58 68338081.9 6766502.59 4796683.034 3729136.174 2591138.47 22625354.06 115823418.7 117118406.8 26141629.84 6887629.859 8433614.505 29714524.28 76456243.86 104421529.1 8430971.088 67459203.77 8198913.001 34671919.75 60477234.8 4-Coumarate 69550705.54 7722338.04 4500737.559 3714366.491 3930990.274 5156740.623 20220091.23 46697261.79 833349.2143 4513120.055 6392986.345 11136750.09 4311494.029 16962199.09 4482214.49 10194957.49 1952628.552 1871898.978 2937383.604 692803.9085 20336.68474 1842686.453 2243493.737 1644840.395 5338878.931 8315046.41 12326150.06 5491692.007 1788970.901 12089200.85 3385147.082 7385308.66 11519852.52 7014043.937 8649450.94 5255225.654 2663256.881 10899869.38 1537403.779 3873808.354 605443.1254 989122.3421 2575064.088 1870279.551 3131562.878 526136.8426 1087711.625 6438039.492 1865516.922 1488965.829 202052.4712 9116985.483 732445.4022 2018850.353 1892975.837 4066490.41 1058510.565 6337930.252 1040769.314 1074580.766 1686862.768 7789191.733 4227468.08 1171708.831 1165322.665 591912.769 3479839.097 1578782.422 1327599.867 1306058.821 1597670.975 4863828.897 672085.5694 431569.8145 1268504.825 1536555.844 4236545.43 3285401.119 1042937.345 44048219.13 513252.1535 1208993.715 1836227.183 578564.0283 8943933.472 5542784.281 6132349.366 8287741.046 2660814.584 2085280.064 4881031.519 5092950.559 8012565.255 830639.4349 36602764.71 5012800.18 9168448.94 65466436.51 4-Hydroxyphenylacetate/Mandelate(1) 44619995.09 2056735.464 14438439.34 1640220.413 7091193.571 2931093.657 28298069.39 8308403.244 143019352.4 99964449.34 43846513.32 7675009.932 9842611.954 4668546.23 10908104.1 37670788.99 4801617.081 18166392.89 31763947.81 1354016.272 494447.1771 1173102.657 2416477.57 6815129.595 3216920.749 1745925.247 25623454.35 16979298.81 1005389.986 5349642.155 8863197.228 4865770.314 6166035.015 2576713.033 3868046.545 64949901.99 6212769.788 26681334.1 1251636.651 8381051.963 1171516.114 3780128.442 9860035.864 1748303.6 20596037.3 1064744.106 2811185.266 2852738.555 17774966.82 1716434.345 103719620.6 3200588.375 11092014.43 2688604.053 3631398.642 9554506.062 289082308.5 718653.102 11714669.55 440033.9573 1686679.572 3136288.32 6767724.484 51042753.68 421066.4214 2848407.856 6826603.721 509525.5811 131288762.2 470380.5003 47767404.34 1424429.874 456758.6483 408621.2918 43107502.22 68662829.1 374048218.4 4325889.17 2940145.749 239704578.2 2681478.348 101275732.7 2419802.459 2994163.528 37656947.3 189030186.2 2928155.322 1780169.345 2095288.308 1118894.907 5116878.6 9738408.564 17608614.46 1918538.617 53608288.38 29333653.54 3903565.098 60297876.26 4-Hydroxyphenyllactic acid 4465582632 541230646.2 286707379.8 215371979.4 308303758.8 371789014.2 1248412503 2740961535 54731413.28 319464595.8 453424139.2 743677958 269179403.3 1055154233 290398263.5 729611615.6 154085030.2 132052150.4 239400818.1 55048749.03 27501.85233 154184661.8 185386612.3 212753057.6 376680440.1 448363713.4 847671495.1 537531101.2 130276490.7 843690274.3 247647485.8 426286804.4 644089657.9 539386528.9 656715301 367652672.9 230513910 659624873.9 98286932.77 298207222.8 60443051.92 82413558.61 184832556.4 114114137.2 220754553.6 85387795.18 89715723 408515540.2 140443212.7 132162227 34117699.83 641097809.1 56757400.19 146184097.9 153545984.6 256109077.3 112806751.1 472594451.2 76974919.21 77719187.45 113865587.6 486062906.3 276848278.1 109689101.3 103887123.4 59568009.95 602401470.3 114477364.2 112712002.7 123524574.6 157691006.5 311186367.4 64885988.05 71479169.57 99453158.91 164963577.3 317036877.1 248387408.4 86939786.41 2752247848 37592123.63 101064081.5 146501921.5 51780350.2 652165984.4 508702271.2 610023125.7 586760651 170564438.7 145574293.6 316164357.9 323985736.1 849065024.4 78348991.88 2291059075 297289560.2 609111022.1 3922070562 4-Imidazoleacetate 6525435.318 8408432.276 6694899.162 4525260.503 4075040.247 5829095.107 18629724.96 7232834.458 6059043.613 23360754.81 8448542.62 6656702.086 5837681.771 41159158.22 3467527.814 5240365.413 4506298.21 7316575.274 2714899.458 4733766.839 124627.4872 9024209.348 6196973.791 9511525.732 6319156.215 11026613.86 8215150.323 10257550.18 6077389.445 9566192.289 6297902.132 8402888.567 9559495.689 4381982.858 5830328.589 5882388.958 8841648.313 8618718.924 3497803.644 5821250.087 5264894.296 7519609.831 9927597.911 3964707.135 5131604.893 6665207.694 2984006.738 4200640.242 9263444.607 3651818.909 4496464.909 8013500.11 7258367.281 9758809.439 8560497.336 4810131.233 4668308.004 2806472.447 5097421.359 3045040.153 2635985.375 4011459.203 9386946.361 7213558.342 4348480.318 5311860.275 5620907.652 4639497.513 4423551.2 4106626.044 13445654.79 4498364.518 4156712.857 3859700.93 2803395.463 5088631.828 4103284.131 5102631.823 3972330.807 10619800.75 5024941.022 5189022.981 5518630.45 4870023.957 7285211.794 8081382.155 3747574.733 3566324.379 3381029.537 6953135.818 9080953.016 10887349.38 20053778.61 4521159.891 21100105.74 2913304.213 7484374.527 10805726.06 4-Pyridoxate 130847021 25584392.13 4248448.759 3547120.164 22967098.85 29769127.11 142202791.1 13352644.1 6206253.318 166336085.4 8200520.696 9659650.038 14914156.59 14555600.15 9610634.785 16950105.22 16759241.82 12497565.49 10933984.36 54814115.53 15909.48801 32789052.62 85166432.61 58887540.99 9516724.706 120845945.3 17497183.22 471001617.8 38245508.3 19380930.17 4074477.965 9850091.041 25083083.88 8825327.226 12465651.34 442675958 11445916.33 26372788.73 15771173.67 22623450.33 10198948.82 35702947.33 24634208.14 41447952.89 7443220.505 44065367.41 4167447.372 28542312.46 66158578.78 38375075.73 8306800.249 512459498.3 82006946.84 370253296.7 166549624.3 9197894.811 41883622.39 3892186.495 6644012.578 6518363.485 5063648.493 158759693.9 10075224.01 16402519.95 28018890.5 73946385.69 102031614.6 28290117.16 11486686.94 13746535.68 488648724.4 15309050.17 11969109.35 8564666.316 10719513.93 19666837.57 18685139.17 11508600.4 28213616.16 717983180.2 44602502.41 8711592.966 17554896.9 2747417.97 9180169.484 281537926.9 310594459.7 14856157.24 24474497.41 7932485.41 9177608.618 65082349.6 97491692.23 71876940.64 160734337.3 31606592.98 56002089.54 881342837.7 5-Aminolevulinate/Trans-4-Hydroxy-L-Proline/Cis4-Hydroxy-D-Proline 47782882.14 10204658.18 8611133.562 1543229.076 4324910.815 7360404.135 60162277.08 17283001.89 2324908.005 10564186.21 10174612.16 8750049.871 19759115.92 7318027.074 10986938.78 22217475.89 3784918.797 9712344.356 14103583.14 4859767.756 117188.9069 7937688.821 21327643.39 7884606.211 4165243.346 7286916.826 17820628.2 12507788.64 19447762.7 12262658.61 6255247.455 8170314.929 2308963.597 20369403.04 14495131.1 15005413.14 5967948.174 8862472.36 3198000.515 17145565.16 8397926.069 11801381.64 3540453.976 6171565.264 5085195.366 24500501.66 4884116.988 2191742.713 6388206.751 10974492.05 2817114.129 22014063.4 5205442.202 6056321.897 7261083.013 5944436.384 9132398.929 20747125.37 4980712.924 4785546.87 12932114.28 6364454.321 6182202.987 10633656.44 6428638.41 8257790.448 20310174.21 6031349.895 9001258.294 20018309.46 21204184.81 10701886.97 8729118.689 2538980.184 20576379.59 10641639.37 2925936.136 5811320.009 7215311.091 208059270.3 19992762.83 6215369.707 8975373.626 17064360.18 15553886.29 8501412.181 53957374.31 6472457.506 7592072.651 4151674.967 5598563.908 17191006.51 13849994.23 4700551.386 24397707.08 58597457.19 13203410.02 34539794.42 5-Hydroxy-DL-tryptophan 1398595.944 473713.0605 200268.8262 377659.6102 356633.3422 369799.4459 448833.7154 357420.7388 537838.3527 286572.5141 527059.0232 228425.4512 480903.1975 1042328.644 217436.4758 402784.4297 166859.8746 899848.6046 307821.2044 205480.1705 8085.079302 355082.7534 870875.2716 326846.6341 531046.9283 282305.7425 415149.7507 214651.6971 383706.5188 289981.7653 457673.4619 761072.3315 90266.97999 332196.8981 141894.8695 1154836.214 594911.922 311839.4101 381636.8891 807118.267 329243.7075 503708.268 345316.8181 288038.158 469709.8379 83942.40791 277619.5516 461006.2331 573086.093 285444.3609 513627.0017 771801.8062 742432.8994 340589.8461 351882.3441 404247.1401 610000.3926 237958.2804 514136.8521 520756.9396 1057241.535 441449.6595 195381.7032 428676.7845 394063.1394 601467.8711 424488.9046 517046.3952 381470.9144 906593.7171 284118.0732 580905.6173 584613.3672 536606.8266 131000.0043 458052.9814 252727.1012 685359.6017 621745.0821 630493.2346 297378.494 711503.633 503315.425 446282.4834 421289.3599 2081850.123 941253.3209 352734.558 437782.685 81311.40475 224454.3522 441138.7077 732956.0514 274684.7009 579408.9145 109410.4995 324691.7897 118318.4047 5-Hydroxyindoleacetate 966576.1297 559409.1109 101897.4548 80161.31055 120014.9979 225293.1133 171126.0155 116798.0547 79528.09982 274647.5613 116595.7531 216780.8969 42682.90977 132536.6231 52176.15678 138064.9603 99232.38438 574542.2557 133614.5492 29464.55164 7771.30664 83025.97472 64047.07321 386495.6454 309513.6962 951684.9981 151178.5356 208972.498 239737.9523 130820.2561 121476.6795 200752.7864 71435.01358 381990.803 166647.1426 200742.3985 66852.02088 105790.7871 70205.88883 101897.055 59066.28786 141537.1709 657762.5363 135552.0091 427280.8682 62175.48649 31277.38808 126912.6853 235559.5597 53207.91841 110701.551 131606.0386 226863.3988 68012.8124 515749.4644 48384.40911 334779.3527 43748.5185 22923.4938 335632.1063 26864.20317 881708.8501 308665.5638 68125.05743 537455.849 106382.1928 643964.9674 621230.729 273502.4322 1659310.702 370394.3826 46842.28834 1803185.377 171190.3991 69855.78924 827694.1514 151106.7235 141748.4272 177228.0387 892608.0312 40770.23987 295457.5433 398669.5399 115426.8087 217516.904 727996.0525 666265.7916 337054.6036 23987.76506 224979.3358 37096.47341 263052.9277 960955.0838 51803.10041 606522.4242 64278.34395 327134.5672 730009.8505 5-Hydroxylysine 635134.1762 570054.7452 614169.5827 50548.98152 1169682.604 536987.193 560183.7007 1622975.417 155242.5393 376537.9888 634706.8007 283944.7458 1853901.119 418621.9694 2456369.529 381172.5117 361960.6748 498624.1352 910923.1031 323734.8542 41828.87479 666635.5514 397787.1441 901773.5922 327248.9623 594657.7851 700067.1941 479591.5381 1181640.929 562361.1344 685396.1633 296066.5585 732124.3034 510285.4249 934220.9696 536762.9113 487716.272 845214.819 219172.3233 314479.7619 533580.0911 2497366.632 356238.4564 1022392.47 583430.4694 566460.4804 248639.0453 495999.1058 535101.8142 705929.4034 479111.0051 908153.0842 448336.5305 458520.4801 484537.7565 743205.1861 425293.94 1279347.548 342636.4881 311762.3508 673601.3496 466144.9151 766263.6141 712282.4559 428542.8137 435004.4407 638622.8512 601035.9068 413621.0397 368533.035 262619.7041 423554.467 263299.4987 249638.6343 375846.2853 631933.81 257893.9789 306269.7953 290250.596 6803215.926 469276.7084 241452.2324 502484.8118 297903.8981 1348555.41 338160.3793 2262567.657 1026431.18 886606.5383 221651.0275 470365.2397 1311680.966 453268.7008 698860.0401 532839.1203 5305314.481 976536.0584 380465.3184 5-Hydroxytryptophan 2701042.324 691596.7462 510945.0313 699218.1507 1190518.11 1333143.698 1757641.462 1405930.665 812558.8362 1136913.024 1271744.301 1758036.278 875941.9006 1530316.561 1202666.288 258095.7772 590304.0713 1492985.367 614538.8469 767745.3697 13836.39391 1253088.596 1926169.313 1405789.163 674036.4719 633874.4902 1807026.239 1352715.558 1710071.122 1279744.728 1418561.271 4115080.371 549898.2386 937567.3722 883446.6569 1820740.063 1543406.067 1583957.895 1051638.425 1905141.659 1337225.902 1245094.673 1030249.751 945474.9198 1363006.691 693124.6238 1058181.218 1209716.861 1223210.6 692756.4495 1795431.58 2487570.845 1756048.316 957275.7818 1174327.295 936073.1822 2010401.08 1597307.181 1248619.024 1076284.765 641828.7406 2239579.391 694528.9521 1778281.244 1556262.164 1491237.55 1320073.875 1280941.916 1676230.486 1849210.097 1319234.822 995463.9285 1285961.45 1515042.064 697764.4058 1492752.085 932099.4205 1013216.953 1626261.43 3456364.05 899867.4327 1881486.308 1314480.269 1538352.532 2209380.886 5555421.025 1701955.52 1435191.539 1194955.917 425458.8084 814298.629 1824137.099 4329712.434 1056989.111 1939030.048 1730115.764 1960820.27 3327400.699 5-Methylcytosine 12350638.12 7250364.449 4143794.457 1355884.103 2545797.904 3275379.509 7752159.794 8211201.553 1394632.919 3834095.857 6130812.712 5102252.498 4921039.437 3534837.954 4493727.472 10568918.02 3857047.703 3242257.85 4769257.096 2215428.202 276680.1242 4421876.199 4852482.489 2793148.935 4049455.074 14843903.66 6052114.719 6808710.932 3979371.792 6949809.109 3214774.786 6273506.433 9870671.112 6302435.008 3720245.658 3623319.111 4122576.777 3104725.727 1817374.218 3347716.944 1386926.232 2440884.111 4127328.898 2698462.06 2487350.541 2971605.205 1316756.745 2323624.65 2560179.727 2668979.094 349728.2281 8372605.855 2996255.765 2535292.955 2659000.133 2582513.405 2615300.733 4862844.215 2397875.351 2246841.451 1581254.223 4340408.263 5913981.216 2170726.179 2566422.694 1420277.149 4958141.95 3376862.813 2213331.094 2088963.791 3793772.681 2862686.322 1208171.262 1318933.474 2322350.516 2816769.355 3694415.385 4321079.183 2782724.256 17279709.77 2125576.939 1912729.199 1564915.264 2541575.405 5759353.584 5625032.527 5668974.449 6290608.292 1843903.312 5607381.308 8945175.829 4029306.432 11435651.18 1916981.829 14485710.31 4443951.071 7997782.101 22925597.65 Acetoacetate 41849370.32 97271490.88 8828128.931 39507494.76 33302428.27 29890556.15 13909066.55 72103343.81 36413732.62 75800089.38 83363209.63 149030089 524567747.7 50043686.24 63406949.58 3847474.155 739520585.5 16982699.23 275722428.5 11416772.45 326075.8136 253779493.7 12149987.05 11197062.54 60251907.75 91411552.42 24076275.42 207453489.4 19251385.65 14331147.64 100826682.7 96395964.33 108067190.3 14001917.23 34418781.86 8171567.077 64994078.85 266931775.7 19046191.33 858633822.6 43157164.74 10818017.34 24469298.43 43930056.93 58765443.17 13844183.14 241643979.8 17491927 21722940.49 55183981.23 17835643.84 13042213.92 24674831.51 79919384.49 15062310.04 240256239.4 18089755.54 11945731.99 45379567.37 22116452.85 20200627.41 266337288.8 12531691.06 20362792.72 10809664.43 86276851.64 112490894.8 8097136.605 29454461.82 32990563.29 110335363.2 43183837.55 31629516.02 107334922.3 97894213.7 17295567.19 11816985.18 16120200.19 15054014.44 10224732.99 283427864.7 32202975.89 25097739.92 7864722.885 139037873.9 357598542.3 44071177.31 463345452.2 13431179.02 11176273.78 74836954.33 69220561.35 267408744.7 9584640.331 7893824.33 10361534.81 806627222.7 140300446.2 Acetyl-L-carnitine 2041180010 3510305244 1061646324 1393620204 1490626111 3358154309 2755904642 6897083293 1681528937 5521562774 3079487674 4387669424 5723547694 2277241147 2133598516 1270260734 2882141859 1552388694 3456847726 1669541740 38465.6282 3032235944 2259868223 2247313357 2090654039 1344140175 4861753100 6497779617 2299265925 5127132141 4030220617 1306059446 2711920881 3449762097 4037143138 1964964615 2069615850 2371262248 804109508.1 6928465163 1506494652 1077848712 2405770361 3422305817 2206870902 1600731755 1767193620 961216127.5 1434272992 4687748299 668528637.4 2634305449 1412031341 3400477150 1290955404 1858252370 1974900192 4487142006 1807632613 1375925980 1387251157 1666937737 1610089483 2543291582 1528808763 2508780975 2180820411 1095418169 1896345212 1955231373 5471626757 2966817662 1795346560 2467245492 3765796298 1848265716 3275954321 1523202144 1371776263 3531835331 5700841533 2160755868 1503358165 1374395250 4919096591 3267040015 1441602588 7304280497 1631528372 842444777.5 2913411371 4448572786 1882043207 1312740040 3060033900 1687308479 1700734098 2200091430 Acetyl-L-methionine 869415.7604 431682.0301 1992080.545 688247.4888 1919910.786 1827651.401 181871.1192 3961739.631 444814.9855 3656502.403 1438986.234 158017.3144 1928944.437 58516.42028 2218030.93 2117317.958 1577206.287 556347.7108 2049061.191 1585050.366 13400.87802 2915019.765 926603.5189 1754256.27 3539491.132 780701.941 2138665.079 1768020.324 1218006.18 1035488.677 1963970.173 2022586.071 821975.757 1075515.86 2143631.557 1049774.865 1321992.727 1000710.89 51636.58431 1254650.563 468730.1914 1564514.924 2102377.923 1773405.256 1246741.471 1110650.733 856486.586 1530940.725 542860.5272 2275995.717 313062.2919 1591556.379 797027.746 893200.6607 1582238.862 1143458.427 631367.2978 1953210.142 532988.3172 313422.5145 1088688.442 1832125.591 3047896.265 1393472.316 454140.0316 541424.2941 1808309.734 461622.637 932586.4488 640684.2794 864893.8961 1073868.949 553990.7006 479028.1275 761706.8301 693961.1871 2924059.618 1002626.755 719953.4888 1614398.546 703024.9497 660048.7189 554942.5666 604623.5664 2397473.159 5756484.702 4785955.63 4256728.821 564374.1169 2389017.233 182320.1553 624774.322 9327920.669 599764.147 762246.9658 1900726.446 755694.6665 3250859.643 Adenine 1250277.652 2687897.051 1891787.91 701574.4389 2574879.613 2926389.611 1972471.535 1879517.426 1204758.157 1733690.973 1650898.017 728248.4656 1280208.697 1986016.327 2630855.656 2373917.074 706368.7485 1848784.662 1214694.102 1754911.416 809114.9736 955261.081 1022566.396 798822.0043 1315852.41 5024672.781 868997.112 2063561.451 1423345.231 3196495.582 1367168.932 3181801.22 3437809.9 1098502.573 1737133.996 1688071.774 1105473.998 5163287.283 945545.6267 459292.1491 638777.7315 2043391.803 4325470.605 1717746.352 1580850.421 866619.0584 462856.1329 2850245.203 3255536.773 1293849.024 1073761.46 1850126.571 1031790.897 1328910.749 1362221.785 1256927.812 2734123.977 761840.1639 1895492.95 1170129.991 1541755 2205256.166 3420835.294 1408801.485 1000677.504 1866136.027 2003084.395 2383349.582 2350373.39 996756.5358 2867465.115 1777129.922 1204665.166 851068.9123 862308.799 1138506.594 980967.7034 1020289.103 1286166.658 2730661.864 963454.1631 2401307.157 2211807.693 1623416.851 2006537.369 1809747.727 2974569.341 1741627.471 2398455.174 1799700.736 1898484.527 4314157.298 2156165.712 1424436.838 26951693.7 3493471.624 2406037.72 9239601.337 Alanine 412193512.9 356451226.9 232846925.6 221059431.4 186704935.3 307162620 366594338 508626735.5 199717360.9 165130707.8 180815991.4 129248067.6 357752051.4 192018447.2 199972030.8 333760381.2 80075881.85 261185665.5 135371401.3 213143437.2 142976.4195 193005243.8 292571442.2 231473409.5 189169921 300158570.2 398525361.9 157892414 320385729.6 282426496.2 217592812.3 256579492.9 234938286.6 116912083.5 276290255.7 284956626.5 192165367.9 221716957.3 135072070 53820477.9 124634011 322207803.8 235051295.7 185854975.4 162801155.9 305677445.6 63413213.79 237887612.1 234113521.5 122743303 163379731.4 380306601.5 223699514.9 149532130 247046895.4 170923738.2 331149395.5 196433593.5 194696904.9 264972311.8 270076608.6 129479224.6 202161751.1 242510098 363735721.5 297344885.3 110298280 267184441.7 304527444 314765687.6 331225021.3 314247536.6 215548802.5 173191479.7 295072639 327373318.5 200427444.5 480973465.1 262967448.4 231781991.2 121903554.3 351625286.6 324640337.9 396032733.8 363305647.5 359498301.1 232372669.2 196856556 228835331 209701979.6 170188543.2 185931407.5 248276868.6 206244394 782261901.6 232585555.8 348513977.5 343018185.7 Allantoin 43922823.72 26659430.96 18573650.72 4401694.438 30334592.56 22723859.01 25594926.49 23372141.79 5516167.769 39255157.27 20632261.87 46366069.7 13546503.42 28717528.1 9733963.296 12240992.27 10761275.57 27253289.04 7467215.072 9166069.269 21186.04747 6793590.102 25623862.69 36846746.73 19561037.12 16711112.86 15262164.95 83981141.04 11186948.09 73111473.08 11221340.68 9593363.306 12127536.02 24503644.4 12143563.05 28502946.63 17977424.31 12982595.15 13077594.94 142297430 5450033.169 7173043.483 26818448.78 13101603.81 6880565.968 34012526.97 2471089.886 21916816.49 31239366.28 10321252.32 5588323.812 72301878.77 11811513.49 9240305.06 16411668.14 5976456.645 21293906.68 7714730.298 15201725.61 10726306.65 3901645.304 81322304.76 12153036.07 32662892.71 17690988.48 14709632.8 28889427.57 25003723.44 24284586.06 14010726.15 34443238.84 28923595.88 11004422.84 7425246.308 20702296.37 37647635.21 16104551.41 13188059.59 14269230.26 67320063.17 6692083.306 28527401.46 15176513.78 9495737.492 39490917.65 89953736.35 42091462.79 29873629.91 10912936.21 29947194.47 21610367.1 58086639.79 88443947.17 9693591.607 41842814.74 6835405.897 39551206.99 40957988.29 Arginine 32865888.73 85865992.58 75350775.14 40626583.88 68336790.83 141224907.7 58658287.57 72239325.6 34751678.04 52822542.4 73676199.08 43987101.25 281534867.1 97147466.7 92102584.07 48629896.96 41240395.49 125608153 74245295.18 48799788.34 402279.4747 62505500.36 134614710.4 88606541.54 48123476.59 62322273.3 129127040.6 58736639.2 118102655.9 89781001 105119433.2 72593195.48 103145330.2 47678801.33 64631152.49 86970305.41 82223828.28 67723165.39 50268481.23 33360532.46 87477356.72 240334589.5 66517158.58 77418699.91 84750965.71 137197608.9 47383981.32 80511536.37 71600517.47 80384971.93 80016021.09 234160636.2 96882891.26 92519447.5 96136508.67 87027346.73 116992242.3 153275964 125174212.6 85038894.4 75836888.7 25516150.41 39714930.87 150074802.6 86092426.14 128415605.9 49581514.85 90459948.85 144683352.3 152363894.3 139204858.2 101222793.9 125863865.8 117756222.9 132591383 136650646.4 55780819.12 73518278.79 142276174.4 197242546 52656208.97 115675425.3 66707684.77 89675114.28 117794692.9 103846192.7 93653355.54 190203947.9 160508812.9 64743854.09 44074221.23 69332010.03 36658658.79 64919146.42 63204689.15 67185717.2 136508709.5 57348560.14 Argininosuccinic acid 314272.6407 201579.3331 178129.6554 18757.24558 47428.90558 262639.9641 298570.1883 425888.2603 18494.79722 209430.7548 62166.49193 96566.26755 279629.9708 74520.96899 18365.61043 35097.79801 103175.2796 112572.138 49213.99672 31150.89717 9992.109155 194785.2373 332962.2374 208887.8104 83870.7118 42347.7595 343961.0947 111281.945 50951.75762 76195.44254 105600.955 32657.75434 58811.94612 21256.52211 35523.66024 94506.71116 126515.2204 22711.11125 18037.41551 435569.5884 35370.84649 157525.0658 179080.7306 23845.7083 31686.29989 297323.0424 50577.26339 20585.45799 72480.87407 90947.36452 20415.37233 880299.9708 211324.084 73591.47043 61494.26841 17111.36607 18824.07422 140949.1243 42850.42078 15899.62378 108306.6507 694659.432 47198.87893 181417.3352 84354.06245 74038.16049 57980.01382 86634.99014 56942.94362 45876.18914 323672.9524 76524.8249 102228.1571 134144.4863 232356.4062 459766.5336 58556.90686 49225.77965 125512.1226 362808.4662 41136.32415 84530.41908 29972.43075 74160.05415 288943.685 1843681.527 678991.0533 182010.7643 58520.74485 46257.2696 90406.36362 213135.261 566408.7252 21468.7131 156193.8612 63488.22817 515002.1705 103717.6255 Asparagine 12167916.04 7128841.664 2148825.405 5000089.579 2185888.614 5643414.837 3048387.026 8122979.424 2350868.63 5170831.326 6895620.069 4866311.972 10121702.32 8562137.605 3109459.863 8682494.837 3191833.07 2697199.515 4918540.17 2400686.503 143503.1068 5365449.936 5617606.474 4804555.571 5303490.508 4734922.048 8690465.5 2255519.137 5790447.493 5181072.449 3316148.488 6150360.934 2961041.035 2592836.687 2809075.19 3446675.219 5575608.554 5102936.942 2918532.026 1997195.323 5252698.782 3315621.189 4777891.381 3872567.242 1888465.361 4360129.382 4460204.563 3387147.103 4717891.477 3332707.324 1219242.197 8651369.729 4703995.262 4246174.784 2451973.017 2442694.674 5225080.326 5107279.101 3454045.266 4400362.599 6268965.782 1976722.703 2893215.16 5766755.544 5699001.212 4630928.412 4128332.041 3720427.91 4018831.153 4472020.077 4112559.743 3561766.11 3377694.949 3073601.135 5850276.175 4454090.892 4661331.031 3498902.972 5436543.021 6841020.575 3647897.431 2545278.456 4066753.28 7120471.226 4425315.346 4569913.261 4233959.634 4986935.013 5319056.481 2495991.84 4262622.363 1568087.244 4913404.973 3216115.337 6685825.216 1862383.196 6683047.287 2020539.918 Aspartate 5652539.736 3960820.292 4584194.16 3941350.839 3222118.365 2952745.151 3605659.153 5759720.051 3386809.823 4990967.29 4517890.732 4575016.421 3090744.403 6190452.581 2916751.4 3804131.748 3505203.369 2626467.18 3117572.552 3878034.234 50415.80386 3797768.128 3846275.625 4002040.25 3901531.41 3622078.557 3524050.022 3105574.798 3861927.247 4387794.154 4770809.567 4164237.886 3069237.152 5238913.499 3403009.352 2934029.547 3726954.969 3071730.736 5509006.128 4580711.869 3587865.944 3539981.16 3599670.281 3418724.29 3336309.935 3573715.372 4941241.451 4065213.132 3223244.73 3994357.517 3496200.263 3285284.353 3609783.203 5553948.189 3692017.314 5013439.802 4077785.56 3442318.863 3150241.093 3874686.634 3626698.11 2718153.222 3969072.462 2922571.833 5444529.441 4807876.248 5269901.313 4125462.1 3048588.584 5568742.766 3991222.764 2658623.184 9253606.208 5948424.73 7590191.045 3755216.897 7604870.672 3977161.37 3925701.09 4670972.746 5484340.185 3861737.999 3820275.227 5969914.265 2705689.555 3473916.483 3296387.978 3965821.564 4291834.313 3531438.224 4079927.803 3005579.133 4494878.153 3327737.418 3269614.428 4007340.983 6312135.732 3989705.171 Benzoate 29371322.72 514857212.5 28214538.06 56024043.23 22127650.31 14872692.42 37084008.19 366589255.2 69585844.59 96029696.74 20779445.8 126621658.8 22790371.89 80011958.65 19293209.63 8108999.855 25209078.38 12821230.07 71764141.61 21881824.57 4641192.708 11190911.12 22222212.35 20565928.53 17555464.46 150358433.5 43401965.45 20052497.81 19836481.89 41031094.18 26142217.15 292808742.6 22305757.54 16376818.46 21912554.51 119335091.9 28218283.71 18773686.98 14903772.13 5798229.806 20240482.59 21665958.29 25137821.1 18131803.95 20044048.97 23218733.94 22279911.04 20178587.27 179093608.7 55995202.02 41234162.69 53874747.12 348883373 33650480.89 28449713.03 25549692.34 24331732.08 30441292.47 18027530.91 13313427.46 18743431.55 29430791.07 23677547.79 15068706.33 35836945.52 27225209.97 12945149.23 32392939.09 14922595.27 24598115.19 12453960.11 32112849.26 17038230.9 31390027.73 32670170.09 22987173.08 16287319.93 21580649.77 21093076.25 49980799.37 24206897.8 18500289.49 20266906.15 13977722.41 12281870.58 5924242.617 13325651.18 22223017.5 30651528.78 144387778.4 157192309.6 24488617.66 19132703.65 26815451.01 14644213.95 25243123 16215015.16 20397057.8 Betaine 5421532334 3834615052 3490919358 2328575113 2906642629 3602919221 2516490833 6422346911 3410695242 2805311526 3895842347 2068143479 3417153115 4489997786 3060857413 12477108509 4946888898 3656579038 3493547169 2425474064 2743668.073 5918723449 3124662865 2261169980 3232411460 2633633589 5383135338 1381634975 4020079865 1869254361 3296678094 2311141767 5509187089 2746217252 2022309216 3280981320 3288684786 4854962209 3661492458 1564244372 3628400236 2164854948 3104777133 6024287787 5104164482 5098802896 3388792817 1729060759 2510995986 2576581768 4738671756 3185387072 1766954787 3564278451 3000215539 3605321660 3286318619 4817434959 3619142633 2789978386 4278126063 3747476068 1799873527 3705453259 4303482721 3457654638 2804447174 3087492465 4078394818 3327001561 3269596518 2488154206 4564963815 3737409598 4873554444 3292107316 5310285118 3467796914 4350330527 3962897792 2102511278 3018712621 3827161758 1598747513 2374555050 2557060968 4683701972 1882404163 3449800024 2007106046 6845160157 2605880287 4515568206 3099884961 2897074234 4047831615 3497662575 5775004190 Biotin 410132.7629 1307765.868 345981.963 23566.54915 323439.8237 819474.3815 1459937.713 256242.2948 1412219.53 121899.9374 4204718.027 127403.7854 175418.643 1740610.956 591793.6391 22724.46712 270620.5711 105825.8239 132919.0154 258114.5917 7482.408643 162095.8851 154579.7424 163295.3416 1952414.472 744229.1341 1837573.022 109480.9276 344082.7171 2639065.343 116014.9104 930000.5469 170925.8971 228986.5139 124371.7257 73624.04089 34402.22112 1166000.497 89675.50199 160053.7708 94267.08564 267593.2095 1673082.312 1436764.126 97387.30208 334964.7899 73953.09983 233662.5943 604926.6586 180120.201 28659.63969 2550454.884 25208.62332 98940.72917 122536.6189 277734.8221 220901.6419 284065.9829 84550.85249 135316.4716 40483.81377 500264.7358 324740.0359 692067.3128 54477.6183 40067.06524 846166.9157 664466.7443 37339.51398 152103.2521 295789.7645 348443.7168 80225.63613 195980.172 74019.42464 542594.9909 411600.3015 98098.77347 111732.5071 1441302.223 144800.2717 248047.5981 376799.3956 177083.3441 4508150.317 4652105.108 160538.4789 1108028.289 232914.476 2645682.686 830335.5942 5903412.286 168043.4529 164772.6355 3077705.929 645416.8897 316959.8052 835978.9006 Butyrylcarnitine 213528701.8 194573219.3 58566175.5 82608563.75 102754638.6 153916419.3 138480691.7 267097639.8 81236512.61 258650666.1 76780919.62 146524409.8 95363323.7 109903067.2 64244144.08 27038530.23 61632944.49 53913957.53 56012680.29 262306053.6 12375.81221 102810950.8 93241476.53 139502160.2 143633373.4 64903838.07 60479602.88 379082748.2 154710280.4 195652091.3 385838043.7 113306724.3 68351807.2 39412622.47 267655398.5 74733383.84 94548281.4 94260224.3 32597851.04 150738973.5 57745374.21 88974794.1 659790554.9 107315275.1 79818883.79 66807335.62 144311205.7 79118876.92 130315904.1 472672909.9 55484899.71 151435328.4 92453915.07 69115927.39 122767018.9 45849492.84 104720046.2 100501436.5 47050952.82 35047111.88 36546794.29 34248323.37 140075054.3 228544827.9 79974068.4 38289998.41 163225731.3 48434214.84 87687259.24 80090101.82 210407523.1 66620990.41 95919810.13 43007579.74 124099430.9 106629834.5 134648304.3 31519158.46 59841581.7 96617035.63 130563777.3 78403599.79 56999346.73 121988464.4 322902972 350849326.7 30862738.89 267198187.3 64611234.35 47460519.2 55689345.72 130394964.6 44316237.71 80574266.53 165976257.3 127906739 94572454.04 25822634.07 Caffeine 18655880.94 4638148.591 375105.4781 3291692.436 304725353.1 6308384.672 62342559.82 53132238.68 15964777.08 395995.721 12179929.6 17250154.53 365745.6863 1463950.027 3561148.002 191072434.9 4848363.384 221603223.5 131081744.9 427009.768 257316.4135 285440.4643 22544044.5 42143492.46 5166362.603 1631782.823 228511521.1 231710.855 1287900.974 143683556.6 52778941.57 263331.8458 1928988.197 448906.8392 3718771.774 17402119.72 1234580.439 17324863.57 7843149.179 341187.9209 14621323.97 64226624.26 39081229.06 62852605.96 64253497.19 2344455.923 3511743.656 184549966.5 4973651.366 298678.6051 958533.3915 96482811.45 66167802.15 92954540.51 189055922.6 1085864.942 19633994.8 191090004.5 1974305.359 12222172.93 312661.3586 108693086.7 117222460.6 6683913.77 259282810.5 15268787.91 81471868.83 850128.4371 262838785.6 180182705.6 26559632.12 65164234.08 252158434.6 77549364.69 407267.6948 108813863.4 13835157.71 818114.2661 2032032.276 56086906.31 245378.9303 15520453.34 178278412.1 4165035.952 3841839.135 11403102.02 82433375.68 34624797.34 115015412.4 301869.39 342171.8925 11372858.02 12329938.06 4155248.453 104912327.9 268763.6187 49504411.67 22027637.16 Caprylate 199568932.8 72068673.75 37912328.48 1033464387 36115545.71 42779703.16 58022845.46 985095951 1417676427 74420427.9 39811608.68 69023524.09 41693947.37 57552012.76 34680307.57 123795500.2 30125256.38 45324562.78 95580835.02 46667247.65 1671158.687 84450291.73 96915053.14 32777685.92 55951393.85 73326775.17 113213685 37613388.73 68477779.32 41051702.46 51797468.63 55783049.03 63542738.76 75780706.79 54915812.29 27007258.6 58602838.35 71577352.14 21809349.05 42583311.03 22580878.28 25813556.49 54495081.76 47465660.29 28958722.79 30112758.87 18762709.23 26777801.68 28642436.46 36328293.84 64471970.21 103519773.7 50251774.11 57860735.69 74743651.35 39481192.29 46257865.45 105271955.1 39068994.3 35103733.57 41168335.28 43643019.53 41730674.89 59211075.34 79974591.95 27608771.15 39680335.71 29770260.37 49994896.54 31941310.55 23137437.94 51143788.82 30865782.7 49133696.3 51302576.33 25396060.62 33204263.16 37531101.03 36327067.54 664931394.9 97254358.37 44868134.67 24599437.42 229399011.8 56486415.62 65945154.56 68330186.15 69333377.32 56409323.17 79802248.46 68103204.46 48710353.52 37924347.19 54305517.43 149388587.4 68851766.92 93959514.69 165572770.4 Chenodeoxycholate/Deoxycholate 717791.3812 1186633.002 752388.0038 3555374.381 5372227.369 6465452.374 1518095.989 15434353.32 755235.5766 15597049.26 962788.4453 2670996.155 1293063.974 938278.061 1643887.08 1259163.079 1729141.146 42297342.26 4908679.976 5796080.339 44532.985 18424148.3 3376057.029 10956262.87 1265732.231 4752259.571 4706801.271 961347.0204 13948191.16 21893939.18 12361454.16 7129707.647 1094011.563 6974469.209 1539528.039 7515346.789 2640797.626 33150835.76 2375637.405 400096.7608 8376528.171 128179.4682 65523953.49 5799603.796 14701393.61 14934508.28 21011456.61 3482211.855 14423128.51 6233711.838 2617889.286 10592404.67 14948186.26 756037.7424 4018052.489 243338.9593 9294252.22 14814727.63 6244720.21 4742771.418 1248786.102 235103.1007 12727384.81 42279036.08 16122392.36 6456082.743 6917101.994 6891597.137 3628648.169 7717494.435 4579564.449 32856060.58 22055501.63 11440052.88 5796595.578 13276226.24 26470461.55 1193305.601 6507290.66 4435078.828 208584.7261 3751832.631 41288549.92 20296070.35 34000399.18 1736584.339 4796194.095 942509.0798 7401433.856 2399287.563 2710895.385 1294899.382 2515363.564 14056665.07 7941005.166 490315.0876 6551662.742 14530554.21 Cholate 238273.1868 181770.8813 154463.5972 646567.3786 263972.9429 155308.3806 367813.092 612423.2538 168672.1411 644671.5618 108455.805 268565.5625 539712.5796 161160.1166 135784.4495 211738.3861 195173.3492 185239.5938 179318.7116 314767.0199 19098.64725 337494.2175 123528.9117 188195.663 146422.9878 505893.921 125578.6769 171374.4393 1189057.347 3243788.116 153301.0503 276867.5795 135562.091 192210.545 252306.5196 1047972.616 163449.6255 118700.2744 130620.8318 258744.1178 410336.4338 441735.947 463312.6366 727225.0766 145499.3255 1464928.193 105851.6415 165867.717 2125989.348 3224251.113 105466.4348 4290217.567 221122.5415 424258.9527 184884.7691 109436.8487 304954.1253 168903.1511 124629.9269 705358.814 59105.40319 186747.4476 1211715.965 179092.5351 1023910.288 179936.997 198107.315 255145.2502 340963.1892 208415.7623 211853.0509 2786781.968 547606.7858 505914.2545 200697.8603 556839.6271 154267.3176 118054.7259 181686.7847 232221.7023 184967.7709 154401.1533 190035.6165 1487090.061 243938.7534 381703.4557 338209.5635 158236.4411 108036.7606 196368.4522 211291.1349 682479.4548 302372.8671 621273.5537 7460554.637 627430.5681 593208.5512 681005.4131 Citrulline 20657366.06 5287686.518 3613041.887 1097977.14 3472389.167 5263816.343 11411522.51 3550326.975 1961433.279 13010138.49 6427362.86 1973253.3 7876465.984 3882329.78 1942870.832 2459792.142 7028165.154 7395211.512 6704358.373 1254422.236 17380.5206 8469346.655 13502530.52 10353782.57 3333088.289 1982932.682 9373023.92 5706390.407 5172360.32 8930780.096 6489295.029 2582434.666 807806.8086 1851630.136 1389585.102 3141387.549 13259590.22 3289588.213 4517963.687 1672519.747 4678000.018 3082237.314 4853846.591 1257418.004 5340542.595 13023571.81 2645218.639 2507655.906 6406631.163 4883768.969 1119732.42 26875794.01 11042743.4 3081929.027 3048507.473 1172291.047 3438084.248 5799830.888 3946824.526 5680600.828 2199460.678 2788625.574 965440.223 12619311.08 5428891.883 9886330.641 2433620.615 4086690.682 3033593.832 5543147.214 6216769.31 4672434.059 7552085.93 7154858.191 17509731.58 12064793.69 6472369.855 5296504.919 9142810.804 5151849.278 1383929.105 5270379.211 1957933.819 4321765.826 3433428.338 5749759.717 7769387.221 7403508.24 2458781.044 1835685.021 5122224.541 1510820.115 10206127.88 2012722.709 2327584.544 3991062.206 2592972.102 2273968.054 Cortisol 37190974.78 1753907.224 2280870.897 11507882.39 2499033.456 3714709.973 1926251.833 8304733.089 2104154.525 3002180.491 2643063.822 5991497.75 8232126.361 3218589.14 744338.5512 1073913.983 1090556.908 1927850.263 3815582.523 2514743.618 9340.806164 1783390.019 1192203.755 1882598.604 2926178.921 1775921.063 6610198.315 2181437.111 901215.2352 2033228.117 499144.4344 19170379.25 1695279.086 2350965.409 1480319.806 719389.7432 1186498.491 3350911.111 2315390.191 14715299.31 540337.4902 350790.4456 728701.7877 3321941.427 2291782.018 1042651.383 1503845.478 1670890.656 2980031.641 3185105.708 1535102.908 1575445.015 1136374.469 1657212.602 7368942.088 1324146.991 1266091.697 3330701.505 1298043.047 582897.6022 3026982.151 1191110.712 3855368.976 1500396.534 1131952.528 833609.3695 8323073.649 7457145.943 495416.9784 1311172.011 813893.0253 2314559.276 899644.2015 1107868.078 1838971.247 1349848.582 10496031.98 2526019.583 1669936.816 15774394.45 1637027.771 596702.5631 1116303.724 2635092.844 1896202.161 15637699.2 1045572.759 20731447.62 5275389.669 1995773.05 2778683.481 25535075.02 17355127.73 1927034.382 49520553.53 1930686.492 4247724.836 30634578.76 Creatine 65126844.68 19711224.15 55070196.38 10906138.1 60483499.09 114056133.8 642031597.8 783861865.6 48258120.46 37966029.58 98157490.04 47036308.95 55275977.04 24212222.13 62834315.08 16424855.82 33765104.28 39231958.75 22186237.8 110313264.7 65350.11275 25949767.64 86450442.14 53040312 50319179.24 75545583.11 36541587.17 144680357.5 35595305.74 462271266.7 62102059.92 154648951.2 312815167.5 188354954.2 450836053.6 29558863.5 23600982.33 432408178.7 53768646.39 8907730.567 36895189.13 31800780.99 386494561.5 187694963.7 20908747.23 56720111.63 21118065.04 15865931.99 22529404.81 13051378.27 68286109.74 30390772.51 21298636.63 60074568.58 52807205.42 20983538.19 94917770.24 247208130.3 24211711.62 44544930.85 77755147.36 17851456.09 110277835.7 35000750.65 12838351.1 28449489.34 19000484.49 8830216.603 97912436.08 35875580.29 78568447.57 98660236.39 55587463.24 65326282.03 63388624.32 39719901.15 42499771.03 56107159.35 50352040.56 30415098.92 135758204.2 35644898.35 28481563.45 53817118.02 674062500.9 24862425.88 8172190.795 13891632.62 86840072.5 43401901.21 28361958.43 182071747.9 49156127.67 24237149.33 438634138.3 112598024.6 92507914.54 61044410.39 Creatinine 1140950179 637349077.1 201707430.8 182671820 629413828.4 639991205.8 529407326.7 512930356.4 135438654.5 764583506.9 452850096.6 1215253069 219884229.3 519095242.6 318593091 206012902.1 358010423.9 253262816 329281020.2 128443544.9 262914.6103 325319206.3 360356647.9 587043810.4 561578225.2 842055079.3 319961077.4 619897626.6 386683351.3 851286147.1 336591061.2 485443183.4 252370717.6 541126917.2 295419920.6 336711465.5 498367313.1 586235116.7 196984021.5 2157697297 193573532.7 201204794.4 321291840.2 160765299 249449718.3 389176035.7 197428963.1 673410471.4 411378158.1 385756956.4 141403173.9 436995434.2 213667959.7 206406179.5 300632904.8 280510494.3 231533696.9 183549722 210055518.3 151124763.9 105935976 1329785210 331579762.7 345396966.2 277872997.7 325338028.9 518347067.4 272682102.5 225538705.5 232026774.1 597823802.4 254385568.1 212131929 245700071.1 271332622.4 394751961.4 536222393.9 304660088.3 313256530.2 763879345.1 131993963 194458736.8 212349971.9 179387646.6 461424608.9 1908794945 1282167959 679575763.8 165589230.9 473449306.1 540783333.3 521945628.2 1613262156 252196774.7 672100477.1 211500455.6 1115266448 478726850.2 Cystathionine 49927627.59 3170457.468 1050265.779 170147.3884 793460.6805 2018720.04 2927038.759 5829588.312 203989.7354 680485.3836 969779.1018 2602225.695 1136535.572 3140460.155 506147.676 316717.4215 173031.2527 321412.9384 701766.1705 83570.14263 18473.0347 452555.178 569009.1131 723698.3868 574503.1291 1164228.024 3624480.451 2201324.833 429944.1071 3501653.272 1738026.334 526106.4204 637917.2772 533444.3544 13185877.22 400597.9211 344660.1393 855134.2922 26318.59201 4086502.216 180873.4565 6883537.041 1244818.088 788326.2345 1504709.696 437522.8447 102771.2251 1803898.162 270896.3842 6580601.182 241605.6634 4178119.385 302337.6956 550483.105 398903.7883 569409.3088 185402.8836 858999.3723 919943.4069 80900.27499 1102856.559 1257926.86 740662.4206 389462.5048 81904.88781 110291.3766 920763.1476 112688.1738 178325.0311 126203.5588 1095062.092 498991.2978 124046.7337 34838.91682 218814.7063 453429.5744 432797.8845 175588.2533 110284.8962 2641210.958 1791512.087 300803.5548 208693.8558 65179.00261 2938443.123 7042641.48 24638294.4 14398333.25 540748.4088 304236.0654 448422.2164 3602318.642 12081353.92 377115.7303 11871508.28 2074267.544 2503597.797 653549.4873 Cystine 44965029.54 117043591.7 102493241.8 12981710.35 115501867.7 105982649.3 112441830 87992793.55 45747832.33 78861986.01 143487758.2 68311828.97 102848780.4 72156630.04 70321378.73 2391122.884 35350893.08 57173956.27 16645519.6 31139610.4 76701.35226 141414351.7 79250880.43 113196666.1 59725462.7 30296951.37 152974470 110704004.2 63101331.32 44132852.46 99360322.35 30349124.63 5044577.192 36773305.37 36647764.11 52687969.8 60309921.51 39746161.76 9937886.333 38244072.44 44091927.26 52483049.73 179016021.8 67859343.37 39937715.76 74709100.89 23279291.88 52089257.88 38271311.25 198476967.9 47205690.47 152148176 45681851.64 51373837.76 58709602.05 45219905.97 74541626.44 149855397.8 29796579.54 20434403.59 128350397.5 17353732.42 28907440.52 66116774.81 31855665.68 35210861.82 42922700.09 46557151.21 45630138.36 66719292.9 118084253 72051636.03 59316635.31 45414294.45 68794478.43 121583622.2 53778544.02 34778093.1 30450001.01 83059737.67 156416706.3 35974360.05 41188723.32 25745454.13 112074631.8 224211164.6 92142953.49 167921035.8 57239743.41 19828338.77 56721567.38 406610127.3 71010714.49 87205628.28 104325351.7 46551080 92117283.67 11087531.9 Cytosine 13519942.9 2489520.217 902412.4748 849595.6257 2889998.854 3065226.711 18334942.23 3336160.12 979447.0119 4357691.657 2480861.512 17463530.57 1186040.193 1762704.569 2747586.249 971144.8915 1518959.254 4572014.47 4209384.645 1472702.259 14193.72773 2000484.222 2372994.926 8547355.491 9905421.63 5102180.155 2557817.627 17374487.68 780482.4729 13981582.38 2728024.097 1524621.902 982927.9785 3838791.643 14571325.84 4006304.553 3694233.378 3896782.797 987450.5244 29309345.99 1777651.733 6866237.191 13382387.68 3522649.227 2482799.329 5445504.653 692825.1888 3017057.468 2116780.083 1946132.693 619863.5129 27752522.42 5477317.436 1186368.917 3381266.301 633317.6163 20055406.43 1928963.665 7202810.765 5356384.684 853758.6322 19391112.65 2049029.836 9857124.67 2523761.501 1179595.95 12234161.14 6098666.002 3923581.453 2879503.672 7101107.53 6150064.529 4420227.046 1008255.584 2761080.61 9230842.301 2860737.351 892161.7983 4487041.46 25835807.87 964408.833 7103509.726 2648577.309 1392120.259 8999508.607 33952458.94 9502801.647 8942444.602 2241037.411 1709377.695 22268026.79 12330812.8 35551167.82 2593892.559 42138994.13 1699470.947 1827933.163 16629102.17 Decanoate 98378803.02 38423384.88 31234770.32 29607909.62 18380610.68 23666424.59 46499723.82 84021186.47 26683483.74 62925869.42 27051875.48 58636063.95 44671088.05 38833675.1 22854662.62 45674619.8 24655981.91 43348159.17 102738103.9 42789762.88 2001691.762 153446385.1 79077223.05 18876657.9 28751960.84 38445959.32 171763751.1 33318804.05 48624348.42 62452892.26 27370751.04 36413405.04 48142405.24 48851426.84 35409579.68 17823878.05 36738275.03 21519867.93 15925021.17 25773503.4 26755445.83 15547911.66 37888665.51 33176474.91 33256720.26 22505036.91 24386090.15 12939420.38 15030832.91 27619283.69 25115474.09 70778599.44 19372900.66 27895210.41 33717065.11 4992888.051 19891520.76 112248223.4 37835902.06 43719780.12 27215475.24 26437805.9 47760170.8 92101322.71 40103840.18 32008719.81 49002970.66 17517660.83 91142931.74 20810567.6 22767608.18 43475033.63 31040327.98 35888025.59 57019133.4 17099149.64 12668117.95 14810560.17 16745059.41 252788474.1 73531734.67 52757793.97 11647804.03 195431330.3 135066131 51969193.17 30197568.09 39175157.37 29063893.92 48818299.3 64036019.03 42268945.36 35206336.34 23281077.24 38044333.35 84868559.13 62500957.38 102590526 Deoxycarnitine 51811028.38 39411331.69 9794854.44 20311868.11 21244599.5 30751969.81 51796423.63 103063261 6713032.111 35093913.08 20869064.83 39542823.98 22886348.56 49861754.47 19756404.09 12139733.07 9956674.179 16937101.56 21798610.92 12666946.98 132441.0082 12441246.27 17698724.65 38922644.72 21059480.74 14938244.14 58499789.13 41733117.77 23766536.44 69498675.73 28407135.88 16246957.64 12195317.93 16389096.43 43792335.48 27369346.22 20082332.52 35949447.8 12869962.71 12152457.7 14726334.43 20151204.4 22947296.69 22731762.9 16384064.37 22697762.45 8516031.876 28838626.38 23185840.19 17747478.22 7126371.978 21398718.3 14217847.82 20910400.61 17422038.41 15185193.63 14974411.69 14596437.78 17382979.74 11417479.11 8072690.807 18096021.53 39176518.06 24523010.44 23414942.28 16617230.13 19453158.05 21416101.32 18454943.59 14974754.55 24309914.98 14425587.51 18043266.57 10899178.8 21464245.35 12711016.14 57032656.17 17762543.79 18754915.11 31334081.98 5733367.123 11360926.1 11498621.82 11198208.4 29135305.47 40901250.9 50891640.81 57677240.43 13157650.81 7890295.52 22716930.13 28197655.53 36650842.52 19192769.33 57853431.95 31567834.87 11134463.74 25542099.37 Diethanolamine 42198716.45 26622424.97 13992857.56 8351927.102 21808707.21 41887310.48 32938910.88 15748729.44 18300629.12 54262153.19 30443962.03 32111656.38 3690225.302 11289001.48 8628278.598 3518154.854 19560606.32 26907427.51 22678608.17 9413051.147 68793.65157 19085997.41 22877216.17 41591868.1 18048538.58 18339176.34 11454215.95 36144332.99 10650849.07 43286341.21 18147092.12 18700425.35 12818752.84 28756125.02 20536345.08 19854839.52 24163213.01 24054441.07 6134026.997 31139446.21 7082532.675 17996845.43 25824183.88 9285629.732 18799676.78 13763839.11 4928137.272 18767252.78 20267679.88 25669923.44 10257571.44 24753302.44 13252149.95 11110247.86 19741829.98 9017676.07 14382591.57 3194446.263 12357808.67 11692727.19 12058955.71 76697373.33 11597267.76 20607403.77 27363622.81 8400358.303 43512292.78 13228437.5 13742947.87 9303571.274 38479732.67 15857885.65 35695122.31 9445869.744 18094267.77 31331641.78 29327868.24 7918551.755 10262287.15 7698913.534 8989861.953 12092855.01 15668898.48 6999156.303 27560504.08 103969220 97383388.94 36977654.45 9620100.094 9051233.588 17124273.55 81227259.8 119956902 19815870.5 13421031.17 13825212.65 44989841.43 4179700.102 Dihydroorotate 1441276.231 590872.1871 1465671.692 498186.6296 678094.1521 1084507.264 598678.2525 839265.5263 698808.2864 1971109.188 680830.1692 7684011.038 253781.1846 2427862.301 445308.6909 905207.6376 1252335.61 3170031.6 6356675.611 626649.8604 35938.69816 1314981.526 1861252.34 1175899.6 5800329.885 528036.8996 1041282.59 2864831.074 1616873.538 453390.2237 696390.7882 2272669.436 387687.8876 1726741.014 448610.7657 846564.1806 1182036.624 1046943.866 5455451.415 7160894.404 3048390.306 515723.4188 1121915.305 542507.2795 753773.8444 1235634.957 590826.8422 525107.9598 1637741.63 1980803.306 401459.3106 2733075.008 940016.2561 1626444.863 620360.4202 1038467.648 149297.9158 1379632.655 1233832.607 578281.9738 237822.8032 1575718.829 673313.2487 2680186.734 165365.1923 155252.401 547359.0262 767281.3445 419264.2283 762175.0661 590651.6346 1782074.752 1068052.853 958398.3303 1397330.14 608222.39 1960886.733 839738.7361 398916.933 1265614.087 495290.3163 691986.0996 1138118.422 613992.3564 1117139.011 19401353.11 1389793.403 685978.5678 1384565.564 500685.9311 484869.5584 307152.9709 798159.1367 432541.2409 272680.2443 471236.5015 155955.0266 1677309.3 Dihydrouracil 356742.9308 272574.876 439554.3516 708984.5153 1128587.145 877737.4612 14382668.96 1092837.15 692417.488 230973.0884 1022312.084 1538656.225 425145.5845 161137.5125 175065.3929 415560.0004 288048.0171 766967.1141 274956.5554 294355.9671 634119.6249 284536.4258 430382.4426 1103067.235 1126973.727 215862.3779 1169490.095 1216798.166 682745.8231 1787339.091 717225.4581 165646.9841 1218744.89 764538.0415 411060.3803 10917384.57 424640.8272 147760.2872 714641.7313 887447.8729 779502.8291 387215.1932 1098312.649 134077.128 208946.3903 501982.2583 539443.9656 541602.4626 607994.0837 223741.6032 252465.5304 225010.827 1723074.511 455507.8924 966088.1396 138720.9475 1098499.955 504866.2384 934818.1477 435981.2563 317481.1763 952900.0218 826842.0604 1221825.243 1277734.226 3614125.865 1895724.131 446686.8759 1344323.847 2911646.341 432961.4885 286645.9006 2187758.348 1027475.012 232786.8081 1546791.309 493456.7093 140366.6317 281952.9147 702358.0873 120935.3349 1924051.69 1069402.183 582910.503 769995.2226 842449.391 908999.4489 287289.6527 295127.5828 2035115.918 720840.9321 850193.1089 1702850.533 112632.3687 3371695.573 695331.0302 727527.9894 945938.9256 Erythritol 9306227.968 2947720.213 969750.15 808070.5699 3476041.57 4011665.826 7370544.187 4487382.651 1049895.042 6630852.874 2359978.018 5200632.058 931172.5036 2559268.741 1137913.686 1700494.768 1263625.259 1803247.292 2084708.23 1219500.571 14630.85386 1419256.598 1507754.351 3077740.794 3273440.101 2557508.972 1899014.002 4439880.446 1156217.672 6912147.957 825274.8152 2188468.408 1561292.535 3308661.204 2413369.584 1683353.273 1410417.644 1752067.888 496643.291 25309980.01 966912.0717 877817.6184 3381361.536 938306.4536 731843.4912 2290810.808 338576.6941 2371641.701 2448583.658 2158790.808 414087.6541 15565097.1 1968327.93 921039.3047 1361127.933 445690.3977 1379713.962 895926.4176 441582.3042 632368.6893 943293.7557 9223171.559 2031908.446 2660281.739 776790.4095 1190862.234 4198360.134 1517399.831 574569.5911 878954.5274 2711701.148 1110277.38 684944.5951 1101571.091 1051989.484 1654815.967 3745251.406 1069502.584 618476.1466 15896848.45 888655.4545 1009007.267 845733.1797 507202.0083 3816998.966 14917601.04 7092706.905 6089596.626 777086.6283 1768546.225 1839693.724 7043712.126 10931137.35 2035425.628 4398990.914 1381638.867 12164774.88 6933986.347 Formiminoglutamic Acid 5994316.363 483387.3346 299682.9647 180991.9263 3896426.049 869776.1964 1297543.432 1454655.947 121073.5512 4462039.413 465869.0806 3816229.048 609344.0098 1119150.56 1144849.884 194938.6418 907678.6345 303640.6939 2253283.086 342492.5105 31894.48525 443189.2409 444885.2957 968407.0356 1098232.372 2687194.871 204504.6648 1398136.685 442555.0241 5140862.266 370682.7826 939918.3702 461313.6972 1328560.051 1636119.225 694878.2437 486522.9983 1239168.066 319023.4072 9706957.934 162990.6896 623536.699 1263645.997 459028.1556 721662.5706 412202.7572 428021.4863 3875266.793 1340111.2 1158628.049 121143.6912 379951.1408 436722.2782 553086.6421 718517.1738 641735.1374 237794.3211 182691.8613 263709.4139 177344.4359 222696.0679 9374505.748 2629139.378 197057.1778 128219.8454 229710.0727 1059812.979 214295.6054 118388.4662 165117.74 525791.3701 168524.7981 197225.2217 231118.4511 216287.2574 341244.1991 1516447.884 342470.4629 256774.6915 2515265.321 145725.5587 177218.0362 260636.2958 106468.0425 721848.515 9470138.047 13384290.85 1421219.85 366764.3244 194837.3769 558468.238 2524242.363 9174956.325 139629.7866 2127573.536 524775.4892 3570309.466 2800678.578 Gamma-GlutamylThreonine 13021925.69 12612025.3 21111834.98 16452317.12 15364217.24 12084260.11 12148597.44 11580152.45 12124892.21 13310466.25 14522007.49 13470306 11145007.29 19289888.45 16827184.79 11278622.93 20584894.37 14528412.12 14212438.77 15126646.98 9850.474842 13816810.21 17416439.75 16276229.09 18502834.99 16051978.95 11744612.67 11668453.12 16636045.85 10797343.03 15778202.71 14413787.53 15299655.05 11797066.08 17659272.07 13891559.26 16344028.86 11955492.72 14360345.65 12705713.14 17294660.51 15787143.1 16134881.8 18532782.68 16279783.57 14594745.87 18419443.14 13451206.4 14822113.04 15109742.31 17065815.46 11539362.13 12903963.16 14319871.75 18120500.29 14211646.12 14578727.65 14684026.85 17654022.91 12698420.26 14248381.7 11753743 17517696.36 12710789.41 16282672.99 12870234.26 15706658.22 14587080.27 13180468.05 15193963.64 11874043.22 12564713.01 17467941.81 18086145.56 19913358.98 15818290.04 17855713.51 16004441.14 19577001.93 12116487.67 14524842.08 13751322.96 13624278.91 16652551.43 10027549.45 10208629.27 12746086.98 13756267.83 13754333.79 11994463.2 16629572.73 15164199.25 15506838.49 14428651.71 8267944.777 15158893.44 12606841.15 15700473.77 Gluconate 46517190.35 52684549.55 13547919.38 4288677.532 65638283.53 101108802.2 142265282.7 57055515.6 15676729.42 61878153.29 59680462.66 95295575.26 15244437.63 5705321.529 25876971.27 14816283.48 35973745.21 30020260.75 19326686.72 29463855.9 68822.22621 38310263.7 25054532.56 76176952.01 37604147.65 72893435.02 29222678.32 44612451.03 22971466.56 100639754.1 30105289.1 17440801.51 40628732.52 72895917.64 75685674.24 24182048.2 27437281.14 28075447.17 5165272.09 343389433.9 8698553.136 31428239.29 95040596.34 20551002.89 21518812.28 31202030.78 4971055.78 63207366.64 41092343.45 62255645.46 9160546.386 67552353.7 29180069.56 25171130.24 34868390.6 14083495.97 22903519.89 10609101.8 13711786.81 15648007.89 24128348.94 225714952.7 35975294.15 35849863.36 16982504.24 15032029.83 55652481.61 24142427.7 12837641.79 14207440.67 36645633.14 23719161.65 9282076.785 18063038.4 12835140.59 36585307.31 65192758.8 46837682.11 11213531.67 90203010.69 26142123.07 15090531.1 17414840.94 7463179.752 69922906.34 326456901.2 136523419.7 140334471.6 17179168.65 42398867.58 65243501.75 137083912.3 236987385.3 65966987.24 104117910.1 29043430.95 159587524.3 54953361.58 Gluconolactone 949308.7497 736883.0535 2226629.744 1704683.336 8861394.026 4040661.779 655904.2359 794770.8389 1979257.414 1583709.075 2609359.034 265829.078 1128207.185 952148.5508 1997074.084 515593.1688 6571880.995 1700520.404 897260.4895 4108668.649 78556.87425 2648404.257 1921814.656 2825575.17 2922055.58 356474.1857 949765.0599 364418.7062 2506207.141 3830934.902 5685392.276 1783328.546 470250.9629 1038687.614 1510459.177 872687.4159 2862627.666 1488529.248 1289519.153 914884.0756 3838669.835 4454134.494 3009498.914 2088800.737 4677810.49 10776870.75 6127897.615 3221723.711 752814.1115 4138143.21 2631031.475 1530328.92 840814.1411 2417610.008 3291331.679 2830698.573 1487741.488 783156.4332 1485868.239 1896718.694 3337688.006 3025445.781 2202191.239 957026.9028 1643021.126 2045222.065 663953.1301 348942.939 983543.9449 1148481.846 2055316.15 1605846.977 1882468.793 1815538.093 2941774.6 3065863.416 2451308.32 3251643.085 2092460.322 108601.5154 1763152.722 954287.7225 1179777.888 2625858.707 817027.3148 6618028.76 627677.1231 1160765.699 1366015.721 2240066.868 1692313.133 942343.965 524069.9356 5642547.713 430855.1771 1185237.758 2158297.045 361025.2397 Glutamine 152092826.7 104793140.2 76854398.78 47552411.4 44245597.32 97904688.2 64751165.34 72203240.96 51884233.86 57849332.95 78685432.12 49323397.23 123863521.4 71583935.51 42347685.29 70906141.53 40510440.84 58827394.47 58523812.24 48445033.87 347208.1471 63815124.38 83809014.4 50603864.74 51349930.21 51000472.39 134999604 52698488.55 67996163.5 75360238.86 58127754.4 50978090.37 25730109.9 49963860.05 81242609.12 50528029.3 86732599.89 46881607.59 53302276.25 38039843.35 67309792.7 74334441.31 58555954.01 44513084.69 60257785.16 93529002.74 41191428.95 47541695.24 50624363.7 53785577.84 40721066.95 121907378 59688369.95 65752342.98 69828143.49 55473179.75 62464722.74 99938370.44 77758048.94 55116436.05 76334975.92 31469653.42 31535006.24 78873685.83 76560550.95 70783401.81 38567072.72 67876088.35 98481829.6 70012732.42 85308068.23 60268623.22 80403975.34 70914700.71 76709374.51 73341955.43 57005829.11 80397568.57 73210117.17 108483452.8 51605033.67 77679316.83 71688708.8 76033254.87 87873332.45 62628182.14 70784291.92 72550093.02 64026294.13 73285691.39 83927443.87 59648685.04 96054843.92 74875562.22 181800955 43213021.43 107982327.6 141975210.4 Glutarate/Monoethylmalonate 51753457.79 87429154.42 96262076.41 118185886.9 161114132.3 151678966.5 42467629.25 52127798.97 175347462.4 151358011.9 110550036.6 102052374.7 120437757.7 53611685.48 100281526.2 92225057.43 102513911.6 86023741.54 74142847.76 119582207.6 374326.0201 70704181.32 91759628.11 86448587.22 127696633.9 129050940.7 126342208.8 76494755.15 87430477.63 208097578.6 144110657.1 115663779.4 88420692.83 27528733.48 120431465.5 101572128.3 81712047.87 121685443.6 70880193.6 64945905.23 67119931.49 101089627.1 153480655.5 99429620.19 78372284.37 86035805.13 64831233.59 151686006.4 60684190.85 99151639.55 108193153.2 84367133.62 88100897.97 102734549.9 152310709 65739334.9 102081271.2 92681056.54 73274120.41 78771515.01 164210720.1 127427359.8 117062363.1 90423580.79 85428258.39 76445212.47 54259143.89 28305288.28 65633845.26 78936148.59 121697104.9 204350687.8 81500361.63 87052276.48 87696624.21 86841303.32 119524896.3 122722942.8 78053744.37 157627316.5 84320447.33 65063217.37 94187353.69 55361278.76 133899722.8 105499626.5 93493318.96 158361501.3 163944929.8 158371912.4 109054322.3 98832928.61 88189860.03 110467366.5 110982984.6 117529931.2 40401311.94 88367963.76 Glycerate 135949993.3 137870192.3 91909970.98 59764058.95 120323776.2 201355097.9 100989644.8 191681337.8 143008242.3 154489362.3 94377738.49 118954985.4 145615527.2 100675260 95973108.03 101501050 102506680.4 96893600.65 126295821.3 159262493.3 94699.85721 161271400.5 186083921.9 132058171.2 129068575.9 94759964.9 147032176.3 249026487.4 185765921.2 116001527.3 141550497.3 367369110.8 64813434.54 86329805.84 123905390.9 143183470.1 100935903.4 99318442.08 137394216.2 64607041.86 111642566.4 141762853.7 141752551.8 138103123.2 119280689 159235938.3 74920869.56 131858441.9 156768894.4 154485265.5 184569068.8 168447782.7 202533567.5 113492508.6 186996136.2 62541644.34 203479043.1 130506310.8 97532370.66 118891441.1 113401533.3 81948227.26 108046303.2 211075972.1 163822441.7 211465282.8 86898515.9 113174866.9 129057339.2 119599750.9 202934684.9 124092053.3 106506491.5 153708652.3 109644731 140775912.2 130517996.1 140922125.4 129562542.1 134544993.2 133059463.7 171801949.6 126858975.3 100230879.7 185612159 121852286 89915832.74 188986138.6 190141753.4 105877651 154129668.7 120142057.7 62976372.06 172434698.3 74762514.07 224199379.5 127877919.4 81899212.26 Glycine 93281642.76 26639800.98 14051190.11 22274715.48 15092108.36 27139531.59 25529661.49 53219147.24 13557485.55 14307901.63 17675553.01 22432302.25 40385431.62 26460769.12 20861604.33 34862096.14 8991571.465 23991910.36 19622686.99 12479789.02 375174.747 14924853.63 42395142.69 16622954.02 10642166.59 19653680.9 29392116.08 23742067.12 28301107.26 31939824.49 13482389.62 26245729.92 10926400.66 10891578.56 24588021.1 22873837.9 33939412.93 12946825.24 16307076.88 16442394.74 18496464.91 32526226.43 12234229.94 14610651.47 16981710.61 34878887.05 16833973.24 12294561.26 24922141.39 18234221.89 12518230.4 29005572.7 38647091.74 24372339.69 18699227 16575543.13 27847086.05 22809714.72 24511308.39 29369337.16 28539232.02 9317034.005 14428195.66 26420701.73 25729139.82 24582532.57 12701837.77 20904658.22 36341284.21 20609324.56 24615202.82 18361069.26 27722314.05 25269250.68 22544622.81 25678831.19 21139241.81 15509800.18 29687868.31 54207242.43 26817341.09 27632560.85 18650181 18459252.8 25659862.29 15780468.75 25969839.55 12970103.96 20808401.14 18104473.67 21931422.38 15063683.5 25248145.27 29118945.72 44290362.08 21314204.78 33229958.66 38401046.5 Glycocholate 22593574.87 1149325.051 1034893.398 345948.954 3681568.682 338990.4026 121108660 25564135.88 97242.66026 3561445.045 288748874.2 8287418.103 2795419.096 10848135.7 156840206.5 416001454.6 7986054.069 2261987.08 7248392.264 1214739.73 9877.536952 2777590.164 19167377.15 18660941.75 2231611.099 1802300.088 82834430.15 21761825.39 111227667.8 145302226.6 13304681.14 215268.1052 7262825.398 5874791.88 2090961.137 116956535.7 937370.3373 12959471.11 6688345.636 860124.7882 2418128.589 11028977.02 37660710.94 17053704.05 13203906.44 5189119.434 5327785.175 15599381.66 1766089.638 4629497.55 27925377.28 76883693.14 35041567.1 48924366.73 13205886.72 4281161.48 5220160.019 61797005.45 924846.0535 5380812.233 862594.6022 359987.9695 16088353.64 7586436.93 2956952.19 1932190.445 217597.1139 1448714.693 4129581.565 906286.6481 594074.0785 5721868.006 3313376.869 4316043.202 953665.3365 2399137.239 8071791.402 1029153.153 1321552.216 34737472.29 1611159.104 2581230.016 6301834.747 3537616.013 24117411.89 482966.9159 1617291.657 163901.9841 4379693.715 362298.9431 11184780.7 14994940.22 1603789.8 55860786.02 73125004.09 160531725.1 46133750.97 2528994.696 Glyoxylate 738728.8202 5926751.047 3693114.028 5987149.192 12548880.16 5471563.388 17581783.43 2944898.229 3028932.228 6552119.067 4021723.75 6717873.091 19298756.36 12587979.9 7745828.142 3990127.198 4365429.537 5174637.882 4630970.735 21813244.36 696985.6779 5468691.229 27207207.61 17311921.05 7444122.597 2916575.118 20142282.26 19260904.73 7914550.533 12372145.27 10235102.22 34673386.81 9465045.12 1860846.591 2814921.767 14596033.1 9085775.159 6045981.895 18292621.3 8747675.222 15161103.19 17037536.41 7156571.45 13516198.52 4878482.613 43274169.88 15429429.53 25482071.82 12500830.57 38358801.89 21780155.68 23512156.4 33234054.05 12115742.04 15778402.28 5642581.145 26582095.57 19391289.34 14942936.39 16508499.24 9270541.688 8410472.747 4862398.732 32018174.41 19076686.23 25973788.53 38972189.13 10539826.23 15131235.56 24626452.62 39341269.69 12925137.63 32061680.7 39820458.99 67373064.09 27678549.25 57977922.75 8619788.365 16144000.88 35442821.79 34608868.35 27024074.46 8290486.517 28529447.36 41931927.11 18932594.26 6398541.453 53037108.11 27179388.37 6494749.559 3889385.081 6524011.913 68065307.79 33129117.41 5816137.552 10203892.51 4145596.311 8439758.45 Guanosine 733590.9743 527171.6966 224562.4849 52218.42074 850969.0847 352405.9315 119777.9156 99301.36448 588984.3912 624381.5563 420156.3964 87337.49058 625533.2345 228574.9618 58919.78779 143057.1509 599432.4197 237383.9235 598009.8064 312259.0801 11286.0915 350849.1918 840015.2455 969909.906 498527.4552 46741.95366 1033335.31 450121.4785 594608.6474 97053.75315 755410.1921 158476.5339 137604.8606 121725.8257 225881.3846 537468.0655 781360.7032 221500.8598 425215.9843 38501.7292 914434.855 811354.0813 905941.599 458495.9779 914513.8998 891894.1188 703033.9263 89231.39932 218294.4422 239069.0935 1172532.258 820030.122 826157.3327 1042817.331 1437593.836 77051.4841 129092.1368 1588456.663 190495.5295 145578.1189 1236121.423 91141.56227 373130.0006 768797.369 784346.6594 675833.0967 33143.56784 159890.5422 236443.993 120763.0987 330988.0213 137178.3587 428972.531 460764.6615 679469.6786 444843.6416 400659.3554 500515.6952 832056.6574 46187.75272 227747.5109 214064.6327 247802.9127 720830.3259 540767.3281 168695.2832 101271.9552 538113.6244 464624.6042 546090.5293 559195.8877 41515.1295 60557.34626 131089.2762 105294.4773 117765.6883 311232.6406 256028.8617 Heptanoate 10277693.44 4620157.801 3560425.194 2959281.297 3831128.68 4067046.81 3655861.21 4883770.851 3882805.816 4193100.017 4678270.311 3749063.949 6237532.671 4222731.886 5187951.461 2296663.359 2675448.634 3565212.951 6128697.617 3636747.165 984014.1383 6640940.271 6268257.032 3339838.786 4892540.2 6520069.382 8096531.437 5873383.966 8828273.565 1330583.528 4664440.927 2924821.479 5562650.226 2803285.299 5427043.53 4374984.443 3057664.866 4719430.076 2369219.149 2742138.69 7430410.27 2588821.386 3799607.676 3462784.485 10170079.18 7894725.71 3387294.142 3654803.146 4704380.868 4358844.535 4288710.806 4658299.149 3931088.565 4740221.838 10055793.64 4323855.278 4293757.334 6476790.217 5042596.486 6089523.776 4639027.56 3577396.213 3529387.13 7965425.861 9891498.547 5726663.126 7806593.674 4331656.618 3104685.558 4247269.92 4329843.874 6635559.775 6035018.168 10793409.53 4943770.851 5925760.001 3170056.145 3293335.879 6253608.53 4919833.704 2916674.583 3234593.188 3479370.76 10058744.47 5635090.528 2832927.382 2846209.56 8488493.07 4013603.251 7063031.052 7600485.568 3949125.746 2895744.957 3468550.624 3858278.809 6114379.176 8146873.874 4622192.255 Hexanoate/Trans-Cyclohexanediol 37074747.37 31648494.12 26344312.85 34361293.32 23337352.17 18968421.04 29078389.14 36880149.98 28218506.96 23401573.43 25878895.19 22017396.06 24503508.62 26169669.41 26496527.48 31817446.97 22588143.92 26406805.47 25472561.43 25925338.43 55554.27988 25723399.45 34379868.08 20475964.73 24262914.65 20809141.55 24167987.12 25102109.27 35543201.69 23128307.71 28829788.73 16684036.15 32276283.42 22924750.22 42641306.2 24861596.6 21760747.46 22616494.03 17576774.75 23932516.94 20538037.14 16575309.42 30903745.27 28769003.4 26358007.84 20213787.23 23556609.57 19716207.13 20364123.26 27536381.65 30462681.34 32920102.56 27278505.08 29618667.89 37046817.02 23801028.39 21014639.15 32440319.47 25950231.41 18926085.71 5616461.043 20093891.96 32829136.7 20602211.48 27312702.15 26225996.21 19315130.72 22203398.15 21821644.72 21367609.77 24800430.91 29072240.13 20678062.45 30283929.39 23799338.69 23980788.88 19917307.15 21041249.55 21435365.39 27701290.49 23460546.85 21109613.18 23447926.33 61835594.85 35991115.69 14146906.54 16757031.55 31466078.09 22337072.18 43312967.61 31392018.6 23642201.38 23278750.65 18793522.23 25662596.13 26443107.59 29003430.74 30382202.66 Hexosamine 11392711.2 12616736.82 21757515.49 24444212.09 50195148.36 53519487.81 8790781.254 16099825.73 68870403.08 39192871.48 34670802.96 24154315.84 30944699.46 9882572.023 27134411.74 22335988.64 46358293.97 24560585.44 19916354.49 37314113.3 188831.0892 17851788.95 24498094.39 28389216.88 39848132.76 29566949.01 34522471.03 27695260.14 28463918.72 67110162.15 41618129.58 28643511.46 17320235.72 33315673.76 38797494.64 33851225.09 19693417.18 34397029.78 23950125.92 27343247.04 18380885.83 32367666.74 53107271.83 21957828.56 27600774.78 24803172.03 19205786.92 44044919.22 19342597.1 26813403.67 38491978.95 31225758.84 21363218 30353674.55 44128796.95 24419744.5 23344691.87 32617285.62 16462916.3 19498011.42 53296546.03 32939137.69 30279802.47 25845061.06 22951811.77 24330357.27 17863323.72 7196849.11 13925134.09 18232411.22 34733138.38 64259315.73 21708024.22 21691121.25 23286081.79 35186401.42 45059029.86 45177051 21936151.77 33147980.12 26462484.28 14021354.77 24476860.45 14838425.41 34405674.09 48014604.64 34319164.15 48065316.37 41455510.37 52699764.48 43649912.71 29171942.97 30280450.96 35320914.44 21040644.39 36601215.32 54347586.13 19994048.79 Hexose 55216176.4 13396315.81 18101200.4 8074640.323 6713218.94 7959402.577 24155652.43 9239852.583 24229563.56 5767216.932 6133584.357 7879553.168 6756221.708 3515534.512 2430409.695 31680649.55 2231237.771 4517843.351 4125515.761 11304355.61 68509.49553 10247044.7 9383647.971 14373654.9 12204127.32 8124964.1 17318949.41 4448335.925 10340497.1 13781955.81 6200033.337 6821459.792 17907422.65 3805198.85 6090011.172 7490684.199 8985499.98 1591412.769 3900319.965 10502323.35 5313646.88 6122867.615 18114174.88 5974578.253 2610172.454 4633217.838 1764522.121 5622217.732 3672676.311 1925553.989 2971696.774 26002453.81 5877735.981 4827268.946 14718040.33 1273870.423 2872840.164 6880083.299 1643189.455 1452361.566 13823646.01 8121553.837 15914495.18 5048367.511 4921917.435 6460045.23 4361600.434 5464227.771 4702458.015 3161069.352 6048906.111 14693607.24 2048036.87 4033689.012 6109063.553 8654852.255 9595499.693 29625351.55 4230453.697 20918330.63 1458247.041 6011659.403 4957584.477 5474740.177 10906361.13 12450975.87 7883883.516 15384818.47 2335365.987 38912292.16 13486017.34 5539424.839 14274067.19 3368980.37 29657001.72 12008533.91 9460616.642 32486745.95 Hexose(2) 280535459.6 229850692 115319642.1 75871113.03 161991700.2 154315644.4 277943966.5 141992058.2 117167878.7 109645593.4 400307636.4 163611660.4 28307222.58 46786086.07 131392757.6 40994664.96 66427629.4 102209244.4 30476660.72 45148175.93 59919.81022 7269925.416 81460206.35 165264204.6 466028573.2 308558324.8 167408440.5 189798843.3 69492664.65 215678778.6 146049168.9 168922551.6 151651684 86083638.1 61801722.34 71568611.55 66685431.02 176633630.7 23984257.97 304062996.9 18648503.47 32587646.07 72389064.32 150153410.9 45165234.62 64056680.34 18059164.27 65285803.26 165683502.9 27355052.7 26993646.75 100576314.6 80950634.99 18969510.52 92905691.45 74434508.71 99544376.69 138604593.8 103288032.1 41803766.69 75599761.28 197245880.5 172926079.1 80142737.48 41728179.7 53848055.6 334132502.4 73322067.24 95881817.9 53715875.21 112298885.5 64718939.16 61659387.03 33492232.18 65540202.22 93710553.9 183651096.4 58010935.15 50131081.82 212548047.8 24975103 112825445.5 60936709.85 20850489.88 201676487.5 260590603.8 257931496.7 242853643 55418010.85 102454731.9 145123112.4 151413411.7 369437249.3 79885110.81 228842738.3 165349350.9 59897960.21 119704055.8 Hexose(4) 1468890596 1717588332 1413409804 1694645652 2404313436 2041381545 744884336.7 1173358550 3582241745 2022305462 1740619002 1410552211 1578455273 700817645.1 1294734940 1833721412 2140386190 1456733615 1622604649 1837327709 115210.1164 1339112433 1245440755 1567604769 1597643478 1763590089 1925340014 1305809759 1613739131 2884908362 2142238423 1341345993 1041383632 2101905455 1742118948 1217413939 1112548361 1617495207 1366509143 1543286029 1398898476 1687138765 2304330791 1167778524 1612196856 1218620353 1034256110 2126852637 977616673.7 1472997594 1665726082 1891352823 1412918702 1342624272 2364868331 1286906708 1190506056 1711495666 841865449.6 1158219936 2588481680 2179281230 1546736909 1167861383 1026450057 1228229041 1161033451 457768048.1 829564443.5 1170246311 1519074286 2871215303 1369316911 1192112923 1193181850 1657552115 1973655092 1903731102 1018497999 2543410622 1124475295 826474288.8 1425278244 942383066.7 1946197861 1872900495 2034380226 2435142349 2358498137 2530804307 2148283199 1632945924 2789285331 1468842235 1503480384 2251523293 2784485580 1542188564 Hydroxyindole acetic acid 26185410.33 36806110.44 12299762.32 4664334.758 27002125.48 21732824.57 28433888.68 30891961.57 12569004.4 23620144.38 27396772.13 32655018.29 10907677.31 20325834.82 67271517.42 19238941.81 9537260.563 15058254.45 11255969.07 18450674.31 10562.82274 22293099.02 17731302.38 18070975.8 13282651.28 23618307.15 46712728.84 23118060.37 17707346.2 17446217.15 33432020.79 17700387.16 9109144.784 21998808.8 16475590.62 26030420.59 22973742.06 36407691.83 6927234.49 9796774.039 6270957.852 19530573.89 15357566.98 16635955.87 14621476.33 11615725.27 13707087.9 14443889.87 34761753.15 14549653.55 3790285.095 43857408.15 16150314.68 13543929.42 21840545.28 17443444.79 14183043.56 22592559.45 11261503.12 6429897.783 9932267.359 17556163.83 51819018.48 11987226.04 12675307.28 5817236.636 34026122.39 13649031.27 8897932.238 10424256.34 11734955.81 10526786.18 17011660.94 7592934.372 6710985.947 15824461.64 16672203.83 15890819.47 11761579.79 20015570.92 16021918.46 8850012.927 12466828.17 8669097.031 50786852.84 16737405.17 12751075.48 30702385.36 23394147.17 12712595.04 29401730.52 15511718.54 10764602.12 18300186.6 43506395.41 62028788.47 23810365.45 25473265.6 Hippurate 1206572129 2044575122 235253253.3 709250732 125170245.5 152566338.5 64721948.01 891820116.6 767094989.4 1229218877 141664737.6 1729881999 23809517.42 764413020.2 54553400.48 58750589.75 56146530.71 316119306 1732485105 215839939.6 31622.94605 26356180.61 642046945.6 341068142.5 361275583.7 7766889600 161133068.5 1239541652 207079277.7 931806223.5 90920853.84 3483943676 831515222.3 34225322.58 234788160.4 907223497.8 496599854.2 313792090.8 177368551.2 253055330.3 16812818.45 28254876.78 742840350.8 123266952.8 83372810.62 343824774.9 13360580.08 94660778.08 1992309651 450564682.6 47946136.93 171785053.4 1659662045 154685645.3 502172307.5 59080882.45 387397039 11670337.23 99711277.13 24566538.5 34333773.79 1199939010 849930312.4 435548804.3 108929564.3 286282474.1 740628384.9 3100613494 552694060.6 429542214.5 83549132.42 634128494.1 1392408738 560393873.1 179064924.7 455766369.2 444624484.3 33060236.83 72342957.44 1119434444 8848712.98 468085415.3 923614556.5 71304110.17 134600423.8 4660106517 3341652261 195793709.8 77798107.89 2131482681 2224240397 159637663.6 2073854479 82533646.59 1083913365 180897182 2937218684 782002691.3 Histidine 42992282.6 29820410.67 38087638.25 35056573.03 21467273.09 42902417.21 41280782.27 39654421.29 25723077.77 20295416.59 27522666.21 18750679.58 50010873.83 36724133.61 31432933.57 83931312.68 17725018.24 31199105.42 14577117.16 22868769.47 505382.4492 21938153.19 23804253.86 38859445.93 29357731.3 54247790.33 61544369.98 19977733.04 36402352.55 56076336.27 30741827.73 42633541.24 100257715.3 14345956.76 19295721.03 37856132.38 43449146.51 21730541.14 15384104.78 8509425.172 30631791.29 29574345.48 24626893.52 22242963.17 27063630.63 22472330.2 18168512.01 25238438.79 31564934.84 17150919.19 17501570.67 57958273.1 19481168.82 23334554.28 28662944.19 24803053.84 42698438.84 39812290.31 52049088.14 28125642.08 34345977.63 12111541.8 42291200.88 32991235.12 30278900.04 34415917.57 18969788.17 28057757.42 53439283.53 31052188.12 26878186.82 41636488.02 36165799.58 33579881.14 21666705.88 33904434.69 18362766.51 24343717.53 27903216.23 66391462.31 13121949.24 43679406.22 37129769.9 38085164.8 47707447.47 40866444.47 13549412.51 29701750.26 16883637.89 30826669.44 58413353.6 62300046.1 27097012.61 42814069.41 94629623.46 23906993.07 79452505.35 76421766.28 Hydroxybenzoate/Salicylate(1) 289535400.1 1823973914 581785.5012 2509197164 104215548.7 1073432.988 1260767467 62935759.09 1029930445 5136969552 1158705.224 1548844711 9677378.945 360122462.3 575037.7032 23999983.15 1087664951 16759398.42 199048583.4 682570133.5 246189.4299 20316896.25 24483868.8 1709034.791 970277249.6 2592596.403 1091025377 3723725129 26669498.95 4091257.541 2893383675 1830514.999 8837377.611 4850355.254 3413452.861 871281774.9 74286992.06 9063137.157 23149028.77 3045413.585 4324573.93 103155767.2 1683481.965 5319002.308 4886556.609 25840169.51 15012227.76 11851999.45 1401143343 933849.0032 11190357.14 13092782.43 28131737.47 1168504.571 2237979414 4000948.865 726428028 53254978.99 6283854.106 8874906.626 1666158.635 1800950582 4959699.807 45457068.94 10569033.33 45440781.22 2697963554 1814004072 35065392.59 9131895.914 89934052.7 2505718.346 494596317.9 3237143.302 538916047.4 648165641.3 3213172.79 741569417.5 12993778 16540583.64 2459027.511 51729715.52 10400820.24 14423618.36 1244577974 3202204.014 17551617.68 700071612.5 356313350.4 3289534.32 19920390.32 2049038.622 3104078.445 2260654.079 38499738.86 3304364.484 3688639.945 21775644.27 Hydroxyproline 25805041.72 6295024.355 6033349.703 781103.1441 3020507.469 4598473.299 51304912.22 10289621.68 1313256.405 4496510.193 7021789.783 3845838.547 12871452.22 4309804.845 7287818.357 16156631.09 2938374.921 7450151.378 9296449.233 2996176.029 97977.77829 5471132.388 10405212.91 5919820.269 2369441.526 5646833.918 9000042.19 6550739.941 12785496.26 6998727.791 4188034.564 6636322.226 1230867.364 14276273.1 8751193.521 9139115.361 4399660.422 4517943.56 2494973.311 7948447.052 4545183.041 6582415.401 2337244.424 3708980.301 4184907.847 11647659.57 3717503.327 1219259.263 3359294.665 7385949.225 1543034.953 17763791.6 4080046.952 4630750.871 5976969.339 4398185.442 5773680.428 14078259.28 3967699.405 2751079.224 9834412.995 3494145.189 3317474.08 4850948.886 5159677.115 4569871.892 13196877.62 3186234.697 5873316.651 12675477.38 12587146.4 6978665.518 5944624.164 2385579.227 15024207.41 10042930.12 1562219.412 3115528.617 3876754.546 141687823 13844918.01 4142721.71 5767077.63 12192346.63 6262840.879 4925482.592 30637204.09 4477439.774 5099870.636 3935742.784 3648455.203 11211860.58 7685061.462 4341225.431 15580477.44 40362447.41 6272901.728 21262115.7 Hypoxanthine 26648576.62 27814774.21 60681492.79 153908349.7 49565918.26 127146119.9 144386738 107089007.8 88320013.25 95053914.71 45665987.77 69742214.87 93841029.56 102367594.6 53820156.45 134495420.8 94686670.54 37013458.82 117547507.9 71795518.7 50245.0572 166658885.1 66091628.87 44026098.95 93128842.79 63911952.63 109945864.4 88588868.15 57684061.98 80609362.92 97534237.56 88921809.26 68539937.49 72362910.81 43668074.05 64253172.41 130698409.8 91043612.94 143588085 81793921.73 155431589.5 67930756.34 41640747.26 185417797.2 69048997.09 22289523.53 53962774.93 29145680.16 44642565.76 41179085.88 20555536.44 55535944.1 36903390.47 133497459 46532193.59 58740965.42 82641723.79 51859082.26 37363603.87 50939389.23 58344740.67 40742093.57 174152467.2 41957733.59 35530800.6 64076566.37 58203702.71 61530375.17 61308994.26 48863474.52 280820750.8 126488135.5 41565455.82 55417688.15 69652775.42 47403060.4 131482945.6 98800070.32 79897449.04 81994835.67 42921680.41 159215934.7 68270685.26 35276578.11 78241496.86 24008145.35 33433089.97 143231394.5 45362341.58 82114512.04 392711.0539 35719023.43 71080544.6 10788373.95 2345595.148 107681972.4 234646.4239 106313061.6 Indole-3-Acetamide 5793475.313 19249844.64 4363440.053 10684956.76 25493594.79 13905373.92 24853182.52 10176353.79 3377968.144 7883226.941 15353343.39 42147499.08 15299413.23 11545074.9 20628295.82 1920802.421 10743903.36 5921468.025 7353660.236 13508585.31 124484.5501 18538309.45 7889172.093 19480563.82 12477893.34 11825161.84 24772433.1 13730230.47 4817732.793 13314591.17 21431276.72 9728592.037 5655447.141 4340433.753 10504175.55 1964781.526 17873556.13 29817254.61 6697794.296 79127755.22 4132607.015 10048200.58 21038005.59 12751762.8 5771398.068 10011819.76 20470531.02 14673539.19 11949347.75 7898011.996 8761946.698 19239571.49 5686611.578 14432590.58 8926064.321 12047372.73 5698966.053 3652827.785 4635820.917 3255990.738 7767425.847 23949168.6 25317899.48 5021486.17 3683712.21 12036568.05 32559410.95 5347268.399 4405430.18 3076911.161 5926634.069 4504801.134 13469089.97 4512252.954 11224814.34 10520521.01 22130035.36 15829722.14 4425195.683 30770322.08 23383552.51 3877339.469 6490014.281 5442193.681 35374263.5 43198033.22 14857042.48 22741259.52 12115443.67 9887175.144 32733061.64 24473797.38 12064529.84 11711906.53 12457822.59 28848434.22 33421515.26 22700768.1 Indole-3-Acetate 24226263.82 23179676.19 4930919.734 18775212.84 22623366.01 9991008.674 46002907.8 14273149.47 2865113.13 45096609.28 25585498.74 27898608.62 5397772.843 88313989.03 10087707.85 7404197.991 39625680.4 21247469.55 21252119.12 12524730.03 54081.34842 11781482.95 18481593.88 42447661.69 76055143.69 99347137.58 17974717.78 38602430.38 24391361.1 10801418.93 32219513.61 5762572.371 9158914.507 35458012.15 6959760.827 41696697.8 14654505.92 23560852.21 10138321.23 10326640.62 7375433.672 6029224.951 35319865.22 12214531.08 14504097.47 11550620.4 24662486.02 22729637.08 44020446.38 6105887.421 7854453.542 65866014.46 16411876.84 15576355.85 25152481.98 9860427.008 23545147.25 28429837.7 9872140.982 9742147.256 5368783.335 9246579.815 18658303.66 27050499.06 18606707.88 11998868.11 24195972.11 25673063.14 22913580.05 20789711.19 92712809.6 55221789.7 17532939.36 9284152.517 14262817.47 20062886.6 34310429.9 17981019.92 23144242.41 44647897.23 2421562.391 14367101.18 11852901.4 10129663.1 19594856.76 29978796.51 23521514.32 10582385.58 5854083.004 44348844.6 4466671.71 6013645.621 34921053.77 13966120.54 10809341.79 4478693.22 11785012.23 15707796.46 Inosine 1045733.562 393685.2687 599484.4942 2400254.094 844954.5654 1768720.676 891834.9836 1716972.25 902351.5192 1002065.92 1529292.92 1175922.476 2031836.275 1231502.259 1059045.25 1467745.891 308524.0058 378879.8462 2178399.327 1168720.35 8373.322412 2652861.005 568214.0757 393307.2284 1312669.526 927824.3924 1574206.539 1265134.605 718414.7076 2507074.399 1085192.92 1411822.832 1084559.567 2248706.074 955619.4432 813777.083 637401.412 2090037.322 1644193.832 1083509.756 683955.7082 1724524.069 1061939.637 1970581.19 578502.4118 389456.2165 317602.0125 653833.6804 1012651.462 1509999.497 269154.4529 1998875.385 595876.9539 2562339.316 869409.1492 679202.8233 1026962.233 896052.6522 180542.9719 338785.4489 442913.1402 389307.1327 1341651.834 783999.2718 537285.7282 432683.0083 808470.6117 784153.8843 871324.7067 293658.7755 5028215.515 954635.6731 277507.7436 520373.394 660916.3868 165392.2465 1712291.563 602039.6857 507184.8907 3013089.847 2367572.702 1270073.525 413889.6491 257085.7355 13576413.38 602474.8417 1035187.128 703343.4838 856042.8168 1199042.402 124099.8604 883786.3641 174738.9206 718610.098 469348.2898 1232822.489 321073.5488 1374832.759 Isoleucine 453872355.8 272631859.5 139602826.1 294057081 412454827.5 505516548.4 114268714.8 173743075.9 140268436.3 198543297.6 322241997.8 174289295.3 1146454734 589591940.4 344124424.5 43766041.01 395687346 408532608.5 351784945.5 193632506.9 68501.22271 363705602.9 273029271.7 408859656.5 232081510.5 252683440.8 211754991.4 360261372.3 443774194.1 285232377.5 618308776.9 391365192.5 221365056.8 170295481.7 321492424.1 181511964.1 526363330.9 702330803.7 193616371.5 87864900 339590718.6 517817799.1 312515172.6 219638098.2 636891400.8 240634708.1 273754517.2 325051179.2 273408969.8 242227644.7 503436458.5 426141905.5 295917416.9 483040668.1 354389594.4 457669946 298770959 301974633.9 409243153.4 220470541.8 194257859.7 236848140.8 103593929.2 359828598.5 305136947.1 309277554.3 207339895.4 170064925.4 226377364.2 427428515.3 518866895.8 601602261.3 243753025.4 309012986.9 265148411 346353514.9 299645347.8 298483193.3 365030318.9 242351564 301154328.8 309932768.7 271442911.8 347841342.3 376945770.3 378286346.5 326474393.2 458992594.5 417195128.7 57183997.46 130850576.3 157094997.7 303311483.4 80545730.25 216756135 282158714 429034896.7 56012816.72 Kynurenate 178647173.6 64529618.4 11786070.45 6988151.991 13077065.51 40288664.91 82643073.01 125168902.8 10236685.25 10588184.47 24340402.54 43175684.27 8340410.479 26822859.57 39522080.41 23056942.08 8865494.162 5346461.917 13489492.39 2348516.292 14053.96315 11368553.88 6282373.315 13406898.13 13208388.81 134506795.1 35544901.09 13693401.03 11393477 25097665.74 18720742.35 42334775.96 65676729.26 14185149.72 35906876.23 12959766.6 13495050.24 69989530.48 1245933.462 22631721.91 2333391.373 7991226.196 14373465.9 7282872.885 7182582.148 3111853.392 5917262.052 13896021.01 30807725.49 23840442.68 1677503.936 15482132.46 2514425.355 4726835.132 8049153.722 9408727.171 8042293.087 11010886.91 3777021.023 2147367.078 2144888.831 226340228.3 36031120.64 9410971.622 3628095.799 4375627.34 61199772.81 5991260.046 6604806.227 6010494.655 14511004.95 6590937.762 5518936.134 2002355.589 7929509.308 16318621.55 11559843.18 8917625.968 7841854.613 139485452.2 3550989.622 5685794.858 5891665.942 2684242.684 67295433.05 155526381.8 92678145.17 48526191.76 4338928.498 7313538.541 85459511.36 47715994.42 37767929.27 5708827.63 525332043.7 18918708.23 140153998.1 570634372.4 Kynurenine 131789156 169568907.2 55979035.86 21652259.5 138936681.6 101094787.3 117564724.1 135510513.1 67454931.01 118273581.6 131760309.8 135148032.9 54790349.66 86135104.15 271128073.8 86250480.74 45796545.9 64356206.49 52743913.29 85899742.89 11833.36956 117683228.5 89051222.4 93387988.75 71472054.09 94164210.9 234192356 112371924.6 78135739.53 69297466.04 173204683.3 73234180.07 42539805.66 107395170.4 82603319.62 108821222.6 121341945.8 146356502.1 30787599.84 47759672.97 34145999.21 105756729 74716002.29 67448145.52 71694172.56 55084354.94 64461457.4 56763675.32 145895856.8 69607384.74 23302656.42 216841709.6 82280830.39 66062272.09 99237990.25 69286062.29 61286843.34 107652158.9 48231693.64 28814770.73 48435493.31 70735535.12 197432855.1 61915436.74 63527340.15 29492369.96 161823947.5 59847434.06 36768387.58 48047601.67 56550463.48 42442394.26 83555823.45 39083852.12 32457725.56 82636799.26 89669202.85 77473447 58056454.86 91107514.68 78313090.7 37760134.48 55313928.65 45494188.95 253624620.5 80085121.63 61424477.03 145585967.5 100581483.2 69413223.65 131154791.1 64065596.24 59076554.99 93860931.6 179664164.4 300296220.3 117339594.1 101484954.4 Lactate 15270682554 4691729246 6937144454 5253470886 2969631724 4006097018 6438695206 5531261661 8430113478 3543294613 3428762608 3461463915 4657609495 2364093368 2811512925 11952458583 2396694842 1981495839 2691572661 5362132290 3510826.806 5409139091 3752978500 4108598294 4948392235 5716091078 6237458347 2685674898 2589741137 5458031487 3726020123 4936545583 10562207627 2567235481 4109605474 3381281656 2546954836 1772732140 2511775450 4122920102 2775768594 3569743032 5000192656 4737364773 2506920555 2657799204 1904809464 3560485870 2241541917 1705042520 2727567412 3764140836 2433404688 3333471915 5436015960 2028584071 2406711777 4397038126 1721507647 1969715140 5965104362 4178580215 7056193093 2086006220 2809553970 3456922408 3125317761 2323531756 2295835274 2535039214 4426646787 6636501530 1842111999 2489716049 3639144733 3870597428 4600459908 9683463008 3041677096 3098431237 2063439192 3659484638 3192799283 3424917078 5422148157 6073182442 3911715261 6645777688 2678973382 12080570425 6603530843 1984066303 4182316464 2856771673 14583526526 5457669967 5458530023 12736561187 Lauroylcarnitine 102311751.7 23551665.07 1020789.277 27975730.26 7401759.809 18194387.31 13760705.26 25255119.3 36312619.41 16459854.08 8639559.198 20218586.63 37273553.55 20293652.02 3473877.094 8303548.508 11970223.02 7465062.803 34313475.54 3756996.75 36619.29623 7482819.603 17332814.73 7295298.635 1564106.642 18126041.79 25131897.01 33928990.25 5476402.433 33189635.12 13515688.59 11180531.97 16038075.56 19307725.68 8932897.167 17245060.04 11307693.89 12276431.64 6993738.806 13362904.56 6771132.533 4210710.571 2494657.685 6934926.103 13685631.12 7425499.271 13239372.42 5123185.407 10953341.8 37655042.49 3627248.98 7695912.513 4906195.936 33967680.16 11329062.06 11899770.71 21923120.05 12401171.86 8083807.326 10008682.17 19099554.41 42154407.04 2509098.732 25216984.17 12981546.14 16478374.44 8178436.839 12537830.3 17249222.65 16324945.72 50718242.03 24458835.1 11557292.78 7514737.378 43609805.52 10386033.28 8489172.588 5150917.714 14894631.3 7901618.403 13687333.21 16776546.52 8157747.441 133838840.9 11049597.73 29774009.78 17809569.52 61284698.97 8136597.933 7920489.588 5382853.206 10163984.25 18782567.25 14135324.51 7902811.755 3476533.711 16831331.79 9242418.26 L-Carnitine 116988450.5 1456969434 666933082.5 274341784.1 1179929838 2407268045 766573812.7 2544187123 1093170167 1849278527 1146050097 1133196299 1296633015 570273195 985473942.9 647051776.7 432971436 1211116721 1352247183 1006330062 54117.39964 835961864 1142974578 1337428272 495025911.3 374616291.7 2169262961 2561666795 1428008514 1802867429 1618602853 330947463.2 604270868.2 982716952.5 1346764981 1691781584 746429171.8 1051254900 869841376.1 584633263.6 892223863.9 1398201669 1368568868 1387278363 1436181737 1225969244 225883993.8 1164408909 1445989627 1482770136 1187823813 1781686682 1197230438 1269947118 1109102447 773583387.5 1427617124 1474120846 932104139.8 845918198.8 1291986034 288368474.4 1011769810 1429662150 1608375481 918826578.8 650702545.4 1031772731 914043047.6 1109665092 1264852461 1392119229 1042336066 789096604.9 626406042.8 1341593481 1182574268 820859630.4 831661743.5 937492928.3 978707716.2 821081364.6 1118477767 1082968004 1912853260 855646387.1 720965936.3 1159535853 1487505088 464124585.8 865237945.1 1434126260 308599708.7 1247948732 1395397171 1507374222 384877451 138285995.4 L-Cystine 61034543.12 128572981.3 112083691.4 25728074.31 209157105.1 174672516.1 52745250.82 66432387.39 80685465.52 204086187.7 149178941.1 133364984 104733983.5 130801112.3 94336974.14 2530233.525 106172021.9 100230758.6 46301743.03 74630165.93 53030.32862 160686475.2 133436640.1 190786284.8 107414859.8 47623971.23 97171256.21 105149268.4 204545018.7 85925667.3 126920461.8 55980211.97 4705007.789 78096161.18 62579107.27 94194400.28 168620983.1 53351686.56 15752933.38 49379326.36 94883845.2 71584004.01 432686494.6 90993712.48 76428297.77 173654334 75693608.21 116599396 88044631.63 104685282.3 116309691.3 91229274.8 115109358.1 136393172.2 191212896 71506259.09 108205444 159194286 46307636.68 69834417.49 146854908.7 23111717.13 50705728.12 145544091 92222617.03 93946333.79 72249452.22 78133583.49 80713624.33 110457740.2 163169270.9 108021542.9 109951129.7 136328258.9 131742550.5 250518752.5 124825603.9 76737510.97 82176980.95 124708808.1 164799974.3 64131962.85 66195054.8 83984220.98 119690216.1 189376847.9 120984182.4 174989316.1 69267719.62 29318164.39 90656386.66 449804088.6 66969331.83 110639911.5 44111197.29 88033919.26 55947939.29 22817683.93 Leucine 809035103.1 347336914.6 362763165.6 606232048.1 977402145.1 830939155.1 287768245.6 304881993.7 432646710.3 768360587.3 724567709.4 279295967.7 1553215903 969972354.4 695576338.2 118146453.3 707523225.3 571846797.9 469463086.6 488420057.2 68070.00049 708498006.5 429857785.5 725008907.1 569298627.9 596999853.2 457833531.8 504508833.3 685925305.2 399305295.3 1076508398 629340467.1 405224232.8 300487259.1 493574869.3 410980876 1021520514 1175134456 255626428.7 131909811 682112691.2 783538253.4 658326771.5 471099538.2 1137751768 335647388.7 575051249.3 784559404.1 473038959.6 495887543.7 961301297.4 789027456.9 502581021.2 752721242.7 812491875.2 1032816659 635483007 428308955.6 657649870.5 535199061.2 387041499 475050731.6 286403317.3 668933138.1 580067519.9 648733213.3 476636219.8 492095789.3 544044143.5 944243533.5 911664016.3 1032661252 612174794.1 691561472.4 498058770.9 725088079.1 605831428.1 359403928.3 651643720.1 318501188.1 527088263.4 581058407.4 559030463.7 614177146.5 722659904.7 817569661.8 388982124.1 714988513.3 611633135.2 231222081.9 316656244.2 714740370.2 485971495.7 295479468.5 426759017 522515424.6 786973816.5 157685833.7 L-Tyrosine 884384189.6 625710196.7 509923326.8 602454529.1 584536098.9 694036576 431824926.6 884828624.9 338821396.8 663206627.4 638844316.5 461954275.5 623649315.2 1147959391 485888349.7 322014964.9 295646909.1 444543597 420516319 477007854.2 67720.63334 491533382.6 626687837 368307416 700379692.8 408358254.5 966270876.8 418160492.6 907318308.7 642095232.4 646235226.3 595927666.8 236189976.9 464311612.9 517153123.9 696495946.4 543688024.7 547248080.4 320082705 222189222.6 460892451.5 382950266.8 412480188.3 231783646.9 505661431.2 290739768.8 378271629.7 401285385.5 420921315.5 476730859.5 567809717.8 1373381340 450276494.1 390756783.1 552733433.2 405611065.2 478894758.3 1075626663 326835879.1 386642248.7 614883324.9 240379055.2 388210848.7 446060380.5 486720315.5 451202896.8 347785435 397871621.9 632240122.8 535403934.9 430858456.6 699300493.3 498218666.6 437980348.2 424565223 562118240.7 504830838.5 406475183.9 481502749.3 1216384112 310518023.9 547228479.4 362582932.1 371797780.7 643327732.5 602530147 281772773.2 460658064.8 675241883.3 210241551 313222210.3 460944499.1 436049185.5 295284298.3 744565811.6 614728469.5 697644601.8 705942534.4 Lysine 173912990.8 205718844 182805673.4 129170225.7 184859880.3 359905765.5 183370796.9 188916305.7 166929114.2 114990442.8 164209225.3 85484732.62 520438850.2 266171774.4 276137595.3 168288644.7 79488369.8 262961156.9 217203781.2 100691517.5 482791.4463 186542645.3 223185221.7 207771535.4 132393593.4 183031391.7 231309748 127694126.6 257172369.3 168283827.8 196770830.6 144675312 375626924.2 109606695.7 164160523.1 156691588.1 245538671.6 172453188.5 123454631.9 56542976.68 196564615.9 410394851.7 129483076.3 213906671.3 189431419.1 234653355.5 89078093.95 177904676.7 207248700.8 150084719.8 268806153.7 432352610 182804553.3 177617380.7 204021732 210659389.7 290801325.9 364482581.4 223419407.6 181856684.7 150425217.9 72440429.4 88419212.86 314311894.1 265399330.7 294105145.5 117606613.4 206618526.2 358912655.6 320766060.4 253283249.1 248979607.4 298643507.8 189481243.7 256504895.2 257471813.9 104710431.4 177812630.1 264325069 318595399.7 94217419.27 163340062 168939071.6 186630501.4 275092671.7 222362750.9 152828020.5 198657435.3 347210404.9 97005208.33 88476477.58 181238355.6 84462156.92 91239915.01 309588316.8 211095374.4 506744739 343620108.3 Lyxose/Ribose(2)/Arabinose/Xylose 113882096.8 36517865.4 31721655.53 3538889.755 74494160.69 50109998.59 62056042.03 46596389.26 11680067.45 78400472.91 90405505.15 121418366.5 13338282.71 15453399.45 29302651.02 1920401.752 52296201.78 5777036.233 24844335.04 39655713.85 15108.32572 36985032.76 17203719.6 67804026 60281488.25 40107724.74 24409880.12 34224535.99 12737365.96 103108063.8 32118176.17 12464413.25 9400831.844 48047285.02 45754953.73 9768426.915 16180628.56 35956673.72 3822774.576 369863435.6 15815748.62 210565305.5 61525000.79 21437456.68 15432632.83 49362424.31 5547100.739 21251554.3 19918132.65 40368129.38 6288772.093 119969729.2 13588967.67 14506259.83 22865921.3 6979219.926 17060651.78 6243910.505 5716921.361 4403236.581 8203153.012 97541073.46 15608800.71 24122535.13 9590212.474 10052550.98 35143070.58 13565445.43 6493127.085 5461319.085 26726079.6 5314792.879 6783910.997 10634879.38 14194852.85 21705364.35 59925224.04 13766181.48 7776331.06 48379917.15 23975173.77 6937913.612 5114463.924 6016122.609 69211904.72 412133384.1 80078718.25 56203958.06 6329684.502 24219827.09 143927236.7 72604536.4 81303844.12 35078150.52 30367680.12 11504315.53 75846556.81 38138864.02 Malate 112346807.6 47358206.99 32205136 27692048.29 12528935.39 16895004.86 53080192.39 123581335.7 19183666.42 27361488.22 21303603.23 45485915.16 24716480.11 35362826.97 9107883.489 31166507.65 12540993.79 11003936.11 37874801.12 13266305.97 1124954.054 17823393.66 38110407.9 15349730.53 18433688.05 28047847.64 62419900.5 32438571.28 16512608.26 31204204.44 17169777.63 16087674.93 33662698.23 14745134 23466698.79 43719261.95 15981090.48 14719652.05 28134398.1 15696625.36 5748967.934 8070223.869 32252894.86 16741452.28 26219439.58 12844762.35 7157836.074 20675030.42 31626713.93 12473156.02 5010498.434 40631466.21 33700038.36 34907625.29 13506266.04 7320978.838 13512509.32 22437730.31 9736708.899 15664274.09 32066658.46 22629859.96 17997591.37 20661095.76 26777527.24 22305306.37 17976254.02 35306903.51 10061700.28 15440430.41 29802492.28 47585136.94 7184642.316 17962832.19 23284016.75 18779338.97 20913538.79 24433087.82 15185475.35 14007976.96 17824360.4 17307400.86 20468518.25 18962758.1 40858599.32 22660380.27 18417565.13 20132721.77 14116654.41 28466632.96 38624237.54 5703075.161 39686857.18 8278654.825 35910374.4 14721167.36 41281585.47 45844280.74 Methionine 487563827.7 249011121.6 167740077.1 218748731.3 342091085.1 451691358.6 342961732.4 411751947.2 117746738.5 181434556.3 255905967.3 212268330.2 327323835.5 613785875.3 303012503.7 226241515.2 119950771.1 240195304.5 240297990.5 142706246 87700.60493 153223750 331119540 228731176 182364295.6 265687368.1 472225437.9 203994481.4 378675512 372110965.1 286608584.3 449395726.8 262917991.2 135011014.7 228366432.7 203389305.5 266457312.3 221156090.5 202924395.4 72855058.24 219917415.8 592379300.3 154465277.9 199571352 352112306.7 275468072.5 155021875.2 252834515.8 231459509.3 170081867.8 197608978.5 902414427.9 197432331.6 257737853 252490794.6 243039487.5 223123181 853132323.4 206434841.4 187428851.2 239993023.5 125274415.7 151504097 261603384.7 254198133.5 245632476.4 100816827.8 148406996.2 199896056.5 263900133.8 284509402.6 379058735.8 245694758.5 202770224.3 197821858.7 266093137.7 226235295.2 259093307.5 304768783.9 468536214.1 135745407.4 285853349.1 185633600.7 257384100 276335106.9 298573871.5 201591329.8 229862062.9 331264191.5 46440869.9 126357961.9 144465959.3 186269980.3 120683041.2 743993085.7 266302830 486266646.5 306826782.4 N,N-dimethylarginine 5262045.399 4280337.64 2411109.036 1583275.024 2916537.432 4198975.436 3599653.461 5634785.077 1551745.48 4391838.747 4032061.504 6856060.702 5543645.85 3232345.143 3995186.07 3386438.051 2665563.53 2517529.702 5486709.504 2376189.985 23415.98156 4428143.51 3353528.888 3641261.684 4074714.875 3613692.498 4648743.316 6078311.397 2631557.586 2714115.46 2793732.922 2080629.837 2619479.812 6999040.204 3730228.747 2971859.607 3748984.731 3467834.049 1489019.382 8136769.562 1658461.292 2859611.106 2890254.846 2541847.695 2527230.346 3024812.838 1283004 2376796.847 3541258.345 3367815.401 1066764.004 5382234.335 2295207.739 2132975.806 2386499.432 1864944.393 2631735.322 3921241.047 2113090.054 1471218.237 1989672.779 4431584.325 2124586.26 3100097.911 1830821.434 1821717.767 4420433.312 2099214.583 1843096.783 2067234.846 3040769.135 1464082.015 2084265.583 1812762.87 2509718.166 2915074.981 2626922.754 2799117.667 2105241.352 6749117.761 3012627.723 1861489.777 1873689.33 1587997.864 6980916.408 22013495.99 6152053.619 4614645.075 2572136.415 2130576.055 3155761.793 3733787.12 7292520.489 2481360.708 5482413.029 2253395.57 5726289.737 7718548.869 N6,N6,N6,Trimethyl-L-lysine 139981429.6 196399491.7 178995464.6 48296727.92 199564200.4 347157624.6 252432884.8 360604482.9 49555735.02 179781649.5 142513617.8 225083045.6 178674273.3 199945274.6 126032003.5 65474829.58 151176806.1 98764094.15 258637863.1 126346936.4 60725.77053 129088526.8 112190850 130172644.9 155319860.2 242560201.8 95245344.19 283130476.5 161327670.4 275809055.9 228860126.9 306170061.6 74001574.99 186539611.9 597725004.3 87806575.25 124244583.1 459025868 87579075.02 127659066.6 115172205.5 135570757.3 291131074.3 193337782.4 173029896.1 151360686.8 38612918.55 181677393.1 228501492 155352921.4 46414814.9 424917074.5 60928102.14 173208298 123857386.3 132982468.7 111409641.3 183259786.9 71286809.15 42403907.71 129827039.7 91443876.53 119513408.2 122715074.8 74703665.88 96647989.32 124520295.4 105534205.8 94637170.09 86986959.34 345800638.4 81790034.3 78131236.2 89570204.47 163535417.5 185914061.7 150553997.8 90468134.04 127147879.1 253042342.4 77437050.38 65186552.37 55801325.88 99226381.03 296921780.8 430331707 215500721.8 390835577 104920923.4 87205279.45 129613645 259793086.2 315654757.6 82606567.47 366873015.1 258794004.9 611320254.8 238599577 N-Acetylalanine 62170812.53 95968674.4 40246463.68 18491002.86 38970208.91 55385913.8 54768032.75 79575598.63 26599857.96 52279994.1 57134676.88 36516044.23 55321592.1 24140973.3 31154666.63 38622731.55 35980971.36 16882647.62 34358431.36 23981079.13 10497.85019 60715903.4 28473502.52 40869114.7 47044041.43 34242018.51 77597576.29 39106204.39 29850416.61 36227442.59 33427026.55 26728426.71 19409074.22 48008720.75 74670789.09 23356464.26 34506432.86 40061054.62 8117210.208 43496965.69 14219938.41 27882666.98 53228597.68 25808892.19 39452451.77 29424163.96 16753716.02 33463139.07 30414095.81 98417568.59 13720174.42 46603724.72 19496748.67 24264969.89 32828465.75 21032215.57 20304746.11 47151543.52 15091854.42 12845992.46 18043336.29 29851124.93 27830955.35 30952326.36 18385493.95 13698884.07 41257184.98 17442579.66 22363540.84 16465832.4 35127435.37 19567703.98 16911941.23 19371748.41 23909818.65 34030186.68 48628581.32 24881619.02 19438453.98 44249929.5 19801642 15400411.83 18578344.63 19070355.03 95408144.77 72733884.81 62943783.49 73552601.06 19009880.2 35795474.35 50884409.36 34827082.49 85661301.06 22708621.89 44742054.86 32089587.21 66518929.03 47662734.35 N-Acetylasparagine 674074.9823 1435071.886 1391473.217 1569640.926 800310.2883 1893426.92 4309506.241 2069039.283 2250424.883 956347.6231 1099798.539 2903178.535 2146466.258 1450388.323 1612865.638 2272333.577 1018965.793 2154353.091 1270537.683 1614346.671 14253.93069 1387812.711 1721460.4 2245346.011 1517646.609 1621697.911 1162661.811 6005186.563 906377.5371 3304844.624 1726532.587 4814842.691 1334533.622 1528129.718 2593150.768 1941660.51 798697.9441 2387304.402 1215526.251 3447821.616 634307.397 1944393.159 1334016.031 1187208.68 1190088.991 1397733.774 809640.8291 1391216.704 1931207.973 2210419.154 1645646.589 2151937.534 2623919.063 915461.6186 1902281.781 825863.5859 1264383.443 1569213.927 1675468.832 1040053.598 1014072.963 1163770.815 1316584.19 1274648.57 826157.2037 1240389.957 1598614.766 704793.7174 1618072.61 1509521.022 3974834.007 2678922.069 746527.5619 925653.9641 1271576.986 1038578.905 1632212.954 1428009.868 831617.786 1852943.659 1412221.004 1265361.257 1640465.39 1204578.576 3838835.931 1555740.096 491806.9846 7291178.482 1434445.762 1413686.793 1733910.692 2041034.584 6580761.899 2330390.479 1467205.728 1320653.866 817227.7752 1572557.318 N-Acetylcysteine 11869876.3 6186879.317 4086836.897 4035034.191 2437288.107 10273339.3 14389433.05 16743560.5 1953324.148 8591278.049 8681964.206 721776.014 5881785.494 7498050.338 5993244.84 537430.8619 4865259.445 2494419.13 5780344.6 4104255.955 14558.79312 2192270.982 2370505.304 7239588.735 8770451.493 4561878.613 3500745.714 4145454.137 2562383.072 1615049.548 1949944.11 5780544.085 4837378.339 7278528.831 18516940.72 2552286.387 2921312.802 3510396.558 1171155.667 13510218.16 1010495.815 8140599.723 9433749.529 4883679.253 1424891.463 1719909.704 916814.2943 1185262.529 4289246.891 8195469.157 318004.9749 7303966.169 1584829.589 3575135.942 1768235.502 4067076.062 2129621.676 2030458.466 1373304.619 2198294.133 729719.6176 7133505.645 5775524.614 2240457.336 1023564.783 3061276.842 2179799.595 3580109.691 1452910.275 1434558.589 4269999.203 8104951.75 2074930.861 1187383.316 1310710.568 2609894.965 370026.1025 2145016.908 1678587.655 15982094.24 2009137.535 1528017.678 1609869.703 2579057.315 14290370.95 24320461.04 6132029.028 12582335.84 1918111.019 10902782.62 5526594.066 10731708.95 25363857.01 1913666.961 80833297.45 6445383.215 24282935.28 35916787.25 N-Acetylgalactosamine/N-Acetylmannosamine/N-Acetylglucosamine 7255995.598 4523102.328 4623501.785 1689665.113 5909277.888 6967137.891 5510340.931 4740157.081 4558128.151 6458940.619 5391034.937 7378006.678 4626846.434 3782383.099 7678838.964 3905771.219 3506479.72 6255508.001 5074471.82 4198732.634 141413.3601 4886572.836 4196871.534 8277728.641 5538206.319 7837412.083 3919473.314 3928531.552 3585634.831 11914900.75 5318878.876 6729563.635 5017584.477 5804698.123 8828795.571 4810992.203 5156046.605 8412381.394 4286381.366 4863309.976 3264484.363 7211260.24 7896358.189 3703594.593 6083782.734 4705918.074 2512393.652 8874032.49 6769767.295 6471127.618 7380202.938 7006106.813 3168119.339 4692624.308 7192880.611 5813173.027 6195342.339 4693597.101 3198894.635 3858834.056 4395594.117 5169031.132 5949713.651 1770218.411 2464451.325 3266333.512 6422484.017 2845927.038 3168138.583 2705678.242 6253719.747 10864851.97 2825665.007 3560333.735 3129652.958 4394479.534 5184154.6 5402605.747 2943014.41 10069328.66 3744260.389 3340665.31 4631503.901 3067507.601 6728399.621 10752416.26 8597366.994 17005304.63 8070337.2 2574085.655 5504970.13 8461954.395 7630361.563 1761912.222 14303557.03 5250998.381 5406406.429 6705146.988 N-Acetylglycine 23591229.98 24730157.82 3000145.827 5068232.734 16555989.18 42659827.55 17857589.28 30364885.52 14976734.06 35837263.51 26262639.91 28763769.82 40959451.7 15562015.01 15496719.51 14861812.6 46852993.91 16864546.35 30545855.95 21924509.31 166116.9525 74400036.79 42841519.35 28301151.58 18601466.69 16595580.3 21844541.77 36612010.45 15846274.17 20087502.73 25922671.05 17941371.12 11747238.71 28784460.12 57606820.75 14132860 69456115.21 65373297.27 12296304.19 31954994.26 31438307.39 25869702.06 35797949.06 17473099.28 86152824.89 46106687.39 66977165.23 12461499.97 14136520.14 55390562.9 12390757.44 25896336.77 19684660.44 50200675 44362029.1 30756467.52 18422917.54 24226549.23 48113418.8 12478375.51 18072689.08 19597624.23 14243497.92 48981867.25 27684541.03 67622322.5 15974577 10694458.95 42198944.79 16098588.34 43370776.3 13068875.89 33228099.4 66515041.22 23371295.96 18333584.48 28679379.25 18790009.99 23696869.78 13681511.37 324678482.6 25058478.32 12137745.65 13341063.23 53147789.07 29308476.1 28571530.36 28592410.55 10362868.65 44120055.77 33660349.71 17387727.1 33840824.73 22176048.67 13086172.7 16234007.79 44386525.43 14498110.53 N-Acetylmethionine 2985045.944 1340612.424 14964970.26 4173415.187 15655395.01 20265629.25 1356261.883 44478030.62 1789216.115 26308843.04 11812328.26 3100639.149 12680252.38 224958.4941 23916731.75 10008387.82 13347398.09 6381620.238 9484514.757 10420332.26 34223.01796 13166151.21 6194876.566 11043599 16685363.23 4912076.229 11349377.77 8625203.212 6868719.661 9536226.197 10387742.94 9030656.41 6864023.765 6409000.905 18719460.15 9968022.731 7464665.822 10490911.2 733951.4304 9908903.99 2612757.54 5946740.997 13412547.6 14958696.4 8186145.778 5807338.636 4887445.389 14041210.97 6155361.955 15884891.23 1270566.181 10107018.58 3860304.355 5550816.88 10909466.27 10556627.51 4667306.805 12532676.64 4432484.361 1935304.936 4274316.41 22680482.77 29270657.9 5365266.526 2596168.163 3221979.044 11425360.4 5686743.718 8179282.008 3940855.206 5317100.776 6354549.501 2425416.521 2779760.031 5448596.424 4252587.325 24070898.37 5073271.868 4433737.002 13553012.22 3590809.423 4198871.086 4870487.225 2897193.082 15145042.49 39229190.75 37367220.79 21837819.2 5875375.676 16857874.55 1038795.408 7503937.609 31825243.94 3905869.271 1687346.649 14388550.83 388519.2636 24773526.61 N-Acetylneuraminate 25536185.57 31900371.81 23535913.84 9636437.168 38888113.62 53626442.3 7070304.847 24621047.79 68266928.15 44228071.99 29427757.15 17635063.19 47835761.29 24576487.89 20195370.26 28638896.04 80992628.49 17510064.45 59179057.38 41034924.5 17725.32565 73127666.98 24867822.93 28041920.11 30188868.55 21473232.48 56074544.04 24121078.99 42117566.67 32446307.6 52650928.82 18494728.57 15730572.55 23744009.86 143907204.9 13154884.46 18378427.41 31084422.48 17244894.95 13956427.44 35237831.53 28412840.93 44399211 46116826.5 77206719.83 30294688.44 29137158.18 22512940.79 16099645.87 33827423.1 30358796.53 25360147.27 17335562.81 43211335.69 43403994.26 25479104.7 23536254.93 54920118.75 18699503.07 17402880.3 36503941.28 24494180.81 11674506.97 19594673.8 23437898.03 19004687.23 19492695.06 12198139.16 18128693.95 19718758.78 30014919.65 22048027.5 16843204.95 22635665.84 16830354.31 27298056.68 30350933.38 53796725.11 22864217.59 36979446.53 24599599.97 16259794.57 13490526.16 18797444.38 37836458.6 11247759.85 52814745.52 53699158.74 49176376.99 74384290.07 71346605.86 19842911.74 23717305.4 52094151.4 24450445.84 27882104.54 87687299.26 42740437.06 N-Acetylphenylalanine 24378801.45 19935388.75 7235185.996 5358728.202 27479366.58 9982207.99 52698347.47 28007312.61 1024794.216 16765338.86 6480591.044 15660772.2 6435578.176 18272028.44 22077811.5 3858853.792 7272830.035 4641848.796 18800039.12 10767228.64 23529.94807 5628788.645 4083433.608 18822683.45 16066628.47 22091727.83 5876487.351 42793877.33 2859561.454 21389235.22 9483278.356 11249075.32 9182359.164 6479542.785 15540885.3 21848137.7 4836292.145 11523226.69 1584293.488 13839583.46 1554628.691 17269413.28 16967709.62 4617525.774 11723364.99 2654523.562 2033848.799 15156982.5 15449684.93 7754751.445 3035266.931 19352303.1 6757812.559 4758222.837 17879631.22 7659752.206 2325053.212 5711108.32 2692645.885 1610394.444 1803903.882 19049975.89 8753012.135 3998400.418 2248183.736 1428828.149 16076123.5 5953230.047 3613397.045 4755185.382 4551549.802 34087055.78 2260471.67 3483170.64 2645029.742 4526671.281 16252915.44 1237517.7 2473451.424 34438834.94 310455.2134 2663089.869 3964409.273 1983555.209 8147570.571 51323573.29 14530722.02 35546634.93 2508385.439 3873742.237 12622485.83 15076079.83 24525334.31 5646462.07 27140581.34 25319702.78 51238213.13 42314767.91 N-Acetylputrescine 29208717.27 44725204.29 34647258.43 4939974.963 24576098.49 19866541.01 70820723.34 21847458.62 29557275.63 33646624.3 36766167.51 11310465.82 19349516.31 9222364.146 22685715.5 40506089.04 54126295.09 11533914.51 27880365.74 15638196.17 224926.8834 21635001.01 16118718.84 21229168.52 32713953.28 29975058.52 18652379.29 23320982.9 15805140.49 24350819.89 8741479.453 13923683.88 35477598.27 91262793.22 48438289.33 16944407.75 10897956.54 17991636.35 9977044.551 22155820.78 4286408.521 72532844.68 17149322.12 22905944.52 14970471.01 13889320.6 3718167.649 11693496.26 8883676.615 21384518.89 7350143.97 29136780.5 18080052.85 17648542.53 18268941.28 7173184.462 6874172.831 22659439.14 4308466.93 4959616.558 43902256.65 14003127.96 51444279.22 9706573.638 8534425.203 5692575.55 23765512.54 8126359.994 5858496.092 4342005.15 17836298.37 7187454.651 5788696.55 7531060.775 11247558.4 9489389.363 15833810.19 21565261.9 5228548.9 27462431.96 9864003.499 6829073.568 5939353.602 7948148.258 40819392.03 26158392.46 43188338.33 39810280.02 13115286.55 37842131.85 63004673.68 40139632.17 37660800.4 18043285.64 123517536 16196187.78 42440393.84 201293259.4 N-Acetyltryptophan 5941273233 3116800.618 329054.8063 3089702791 3732261.608 1675067.152 2762886461 3497988238 3992512607 810570.5917 594493.9735 800540.7058 516775.6848 1548456.794 15430658.95 3180916513 614673.8995 657703.6729 955531.7252 501305.0443 21769.45366 707584.3615 678405.8915 654251.3762 288952.5695 815998.8902 411261.163 2779566.479 583229.8886 1538921.563 388137.0251 203836.3982 946420340.9 808857.2089 3096207433 5580804.406 573248.0289 115346909.2 579887.2457 1798285.957 192109.7125 633699.2127 1605707.962 378714.9733 1043429.499 206326.4792 259497.5129 1899904.436 1581954.085 1087518.006 332480.0521 2135496.056 1686856.165 439342.9545 1518939.493 1567634.306 266667.2203 38378596.02 480877.7825 293189.5773 312402.2782 182649014.3 175020.285 1372535.213 799070.9272 541331.9054 793952.8829 786006.7183 538947.0007 665533.3565 512759.0467 2522150.228 419195.3691 1361000.564 336103.9134 1224461.842 1353570.092 106426653.5 829223.7514 230916405.1 287227.1694 775614.7889 941177.2232 370505.8928 2142647595 4379725.622 926745070.4 485893928.9 156353.654 312371.6519 255944.2643 1849677.392 4490695.201 745731.8606 3324056186 273401.3575 163399797.5 2404507621 N-Alpha-Acetyllysine 1105389.198 453522.507 527390.0001 826826.1121 277752.7857 65081.63958 27747.53562 488621.0579 66579.77171 2043196.01 242615.3014 452186.9898 43889.46477 89158.62086 45207.92082 39169.83768 546730.9988 127293.4071 238111.798 44266.25777 10131.76709 113061.6634 36851.32338 85105.61343 114421.0037 110084.4696 31465.65599 171416.2106 117878.6413 142754.6098 1411966.094 58502.51393 1027505.447 66031.235 4672763.985 48333.61816 130685.6424 145134.0496 88207.90457 850706.754 96318.8292 106162.1174 31291.4131 26127.00705 59377.63606 8197958.982 189352.6056 43113.48176 32835.80458 134273.9612 73942.7714 39524.24582 36145.74179 34304.71083 70102.40436 47202.07114 80493.77013 55800.07588 25155.36868 50252.97151 56112.31522 74816.86714 54845.37223 329771.1553 93815.65467 164452.8091 289830.3455 75987.06278 140257.12 73107.3661 332913.7132 74317.91851 112619.7282 163890.7762 123618.6328 67407.16824 74526.52212 186767.0136 238295.3836 265028.6037 71459.06966 286128.9686 97996.53896 213335.6589 178692.3821 245158.8173 181138.4941 73701.92082 48968.19392 214235.4041 190422.3301 130054.1831 39270.09505 184249.6102 45968.82152 154653.6134 206725.0487 49112718.63 N-Formylglycine 4573786.614 2838303.883 2746576.32 2360533.252 2804855.256 2050216.375 1923061.951 2407451.312 2469420.929 4925895.705 3119712.381 2153769.785 4545590.884 5247523.225 1652012.664 2084484.038 1351038.532 4567273.261 3524713.209 2250200.205 244481.4135 2090779.539 4647657.99 3000189.378 3613176.628 1862014.056 2944590.294 1759839.668 1821722.513 957290.1414 3962601.426 5521378.218 2385036.951 4915579.232 2609654.082 2869350.088 3268375.288 1464113.899 2645601.488 1423934.268 4551754.475 3453001.215 3775635.135 3051806.564 4326176.454 5910618.586 7604505.018 757887.9521 2948883.988 2978406.558 3294506.843 1680344.731 4253777.622 5912072.832 4615171.81 841396.326 1474382.75 4353279.533 1414702.471 1135099.423 4028072.012 874902.0433 2502713.459 4229303.494 3915405.177 5918522.732 1364014.372 1973619.28 4168090.559 1107232.675 6349261.753 838134.2022 1892049.778 2285355.95 2188817.026 2228202.562 1726573.709 2304019.968 3033982.621 1002384.365 4759986.845 2724356.583 1794944.336 1844679.538 3230683.158 2332277.955 3436489.754 9719596.052 2701913.411 6918210.819 8111417.521 678609.3876 9353722.007 2181506.2 1221248.534 2615753.989 5102063.35 2950568.707 N-Formyl-L-Methionine 33370738.68 19864130.5 15319882.34 6068478.607 17106924.38 26739550.83 31199869.08 39764364.76 5814434.129 27063002.95 25014670.05 18076719.67 18600691.91 7945501.347 20338522.28 21673868.08 15573047.67 10555980.47 13142709.72 8724670.565 53409.67526 16042055.82 10689121.68 15749880.47 17134055.76 16179227.63 19368666.08 20030585.89 12614623.54 27716573.75 9714637.368 14499340.12 17385936.45 21347187.69 21487452.28 14503509.53 12019016.26 22909577.19 4922664.656 18406111.19 4154285.633 10555672.1 18659864.88 12210553.01 11483881.77 10384367.6 6772965.379 19134910.58 15686014.77 14063289.59 2407486.791 20012577.43 6887068.823 9277993.93 11056515.84 13539970.25 7610844.997 13428975.29 8207250.764 6012839.207 5467714.654 31264071.18 21839822.19 11836102.32 6231726.148 7235033.102 20239577.36 11033970.76 12661531.71 8630310.029 13433365.26 13569960.5 4723226.273 4707664.353 9366067.664 12126555.12 26250712.05 8010750.564 9250582.851 18454175.33 5640483.595 8834302.144 10593906.83 6566265.427 24737292.48 51270033.86 37563384.32 29931928.93 6628171.487 18504540.46 11807574.76 20830494.54 52631595.56 6679055.424 26546363.04 13463441.74 11006945.01 55548679.87 Niacin 2903878.711 2305746.04 2703079.776 1953551.137 2109772.281 2229024.807 1812582.29 616396.0145 2706208.455 2239186.805 2960392.11 420126.4067 3101619.545 830543.6669 2105928.558 653589.7048 3041594.801 4386339.605 2400840.58 2969408.842 566652.012 2378828.666 2243701.47 4361940.213 2671444.288 845058.6173 2153289.726 2175904.538 3014587.645 1223183.077 2708935.614 1564952.497 1287503.929 1850922.189 2705415.025 1213490.321 2172779.658 368946.386 620254.0459 1495338.679 2527871.575 4784827.404 4055934.854 1277481.446 2448059.237 2851885.604 2367586.529 3168886.241 2617044.515 3477356.271 3302977.346 3463361.812 2257250.783 3135954.525 4197301.857 775246.5606 2073690.86 2339180.595 1611932.384 2386363.683 3241439.925 6280396.426 2146885.567 3216239.033 3921576.409 2497665.196 1382615.171 2275123.522 2577581.337 1989546.826 2999293.193 1658842.199 4172522.19 2648149.245 2554252.959 3179149.201 2530979.904 2313564.478 2591166.412 4693685.272 2116685.007 1015683.046 2077211.382 2068254.497 2672102.644 7402939.742 9670920.969 2421624.696 1031591.661 2882335.474 2282608.88 1935434.645 6055164.979 2585525.359 3773092.553 3377468.518 2652207.461 2427787.295 Nicotinamide 2856965.737 90078733 1938233.583 3219952.895 29172180.72 18228175.62 7063094.808 17683357.81 6146705.646 38741623.81 23045803.6 15554456.21 17830594.36 8913242.096 20931953.39 16382028.66 6274665.925 13603123.78 13075017.98 5843529.359 714942.8763 27721768.18 22989427.91 9074868.203 2653007.867 10911312.94 23217718.36 15182490.6 21044264.74 73542067.17 20004106.5 3745547.708 2718372.019 14585888.42 2561851.661 14628760.22 17986565.64 8052874.991 27122206.54 1198788.603 6309255.369 29370525.58 2916570.092 21940753.36 27941626.89 5927018.413 5486552.56 15144481.63 33212846.19 21454638.05 2242835.427 21618122.72 27409913.33 17204464.72 21948415.42 9391531.634 107053016.4 25311104.06 24298902.5 40263435.05 10508263.33 15605823.82 28885001.21 35392140.13 75710882.34 194096246.3 17748079.16 30240504.66 85843496.47 44916921.15 19892218.55 40034858.23 43049914.82 36986161.68 12700433.05 34856383.18 9947867.24 37108351.47 75710509.49 19341546.04 29343336.24 22594433.77 39981407.07 75763721.21 17701236.02 16282987.35 19927561.67 6167057.883 24916239.4 46208823.53 22226234.24 6806453.235 22511474.04 5275040.419 88971893.26 64081653.65 17106472.88 8316568.217 N-Methyl-2-pyridone-5-carboxamide 1196905894 679719469.7 42235580.88 91525813.69 476123479.6 640371450.5 1253510344 777035889.5 292159022.3 510291362.2 406396311.8 885190526.8 536994797.5 548736075.6 203141854.9 74454223.53 182573544.2 152740592.3 290130061 368647925 244341.7183 478272914.1 686463973.3 567087354 291680891.5 212393509 455069282.8 949591549.5 246033942.9 1570661460 157222212.9 280296933.3 577232608.7 409160151 249791283.7 748103355.4 343721748.4 75008650.23 169643858.1 2686683611 41789016.08 457871770.3 243473407.3 375698590.3 14918210.92 359657505.7 23740840.62 220913271.9 554529584.1 835695896.9 43413746.23 992679323.9 310895458.9 90119445.59 274759017.9 34111428.64 372294026.3 147566356.7 60284002.19 130069244.8 64383980.04 789286858.7 184422267.6 844902284.9 55336071.3 498412510.4 1054547186 220408004.1 172101380.2 168447788.2 1000139971 196228575.5 217686839.9 103860712 101182038.1 344883415.1 299072293.7 139846934.7 185710342.7 1215949810 525542063.4 40167172.3 133700311.5 29308489.52 623482605.9 1014284455 690338503.3 1304404756 531140696.1 186768449.3 263519335.3 1597267175 533616439.6 268051851.7 478736407.7 354241834.9 719193096.4 698509846.5 N-Methylaspartate/Glutamate 2854820.704 3971771.291 2317171.216 1095773.657 9952119.015 2299578.439 2718881.037 2210514.22 2709312.247 6854142.869 5772467.393 2358387.004 3428415.25 1847599.468 2670480.918 869612.271 2788553.025 4087466.636 7015602.599 859068.5462 106034.2367 3355469.882 4658514.339 2543843.274 2174130.857 3632958.413 1355338.889 4252379.11 6889202.951 4516138.326 2525340.599 649588.7213 1129007.009 2506102.018 2271865.467 4191355.323 7338829.074 2115218.103 3871114.149 5001955.758 5470764.492 4800495.235 1113105.702 2938852.182 4304165.033 3947840.224 2493795.871 2409072.219 6659830.633 4393366.772 2139544.729 1605192.121 15994567.58 3755832.778 4467839.102 1846144.552 4462489.641 1392307.732 2461525.689 2705066.959 1002270.743 3552736.41 642875.5495 1573992.174 4851621.967 5905124.603 1172711.895 1996303.31 1028978.383 3866110.739 2522631.596 7137226.218 5645656.362 5822034.707 1947056.3 7012738.905 1550667.2 5958165.753 5261048.718 825547.0332 1877100.254 1791443.234 4907998.098 2066440.744 1979983.152 855357.2167 4092643.26 4390082.942 3606936.849 1608970.498 3413199.633 515260.4151 3493105.235 3657695.423 2935256.602 4024313.306 3491339.986 1435588.957 Nonanoate 50121771 33988782.83 27525270.87 31402861.21 27024315.91 30625134.01 26353091.96 29793539.84 23044542.19 28042278.91 26237818.58 23690782.06 21676157.12 25809014.26 19675148.86 17357116.82 23566155.27 21588090.3 38161903.38 21324868.16 658843.341 30133423.6 40127454.07 28562749.52 31634829.19 37119144.55 38285635.64 37780716.23 37087261.71 29062376.58 26053961.51 22521278.06 17796064.23 20904657.52 25178409.59 19472985.94 22770728.62 19732308.54 16081874.1 26201426.54 26526162.32 25927173.01 20722405.94 24917796.87 27622062.86 31603439.66 27946421.76 22143862.39 20981852.97 29450487.77 28474985.28 39723100.1 28516860.01 33108562.41 41416841.67 28417476.36 26014204.09 38244330.32 22511417.94 22844205.69 25157463.02 19274137.99 19360831.46 24481643.18 33583684.27 27059472.77 19420547.29 23151579.92 24710600.57 17305753.52 23370610.47 21250986.78 27605652.23 47013431.55 31055109.88 27259751.85 26647661.95 20731677.4 23820472.5 21715477.03 24012603.61 18214116.89 20086816.92 29591865.82 29761448.2 34704855.23 28275600.82 29355370.67 24601620.72 33942591.72 35046057.49 21629307.5 25588894.76 24114677.18 15370161.7 46813381.29 43943291.23 26746408.71 O-Acetylserine/N-Acetylserine 142144711.4 133143806.2 53276847.5 28950241.77 122381864.8 162484025.9 97386497.06 141526131.3 33761598.7 161223537.5 153463026.4 132407894.7 116225927.5 80557988.79 62199238.16 46734978.49 80136430.6 49337793.56 107719474.4 74433764.95 39569.87767 114856104.8 62622932.38 88055993.09 86523289.88 93904251.74 77714538.97 169901835.5 66191194.7 93060458.4 76624110.23 53962136.66 38678196.47 116773483.8 136413534.4 61414376.37 95930021.78 140386434.1 22140127.16 208836717.2 41924808.7 92609096.55 153803445.8 95926956.16 64328585.68 84475749.58 40358129.67 67647682.25 75438249.43 137948675.9 25419735.16 122617627.3 39497447.75 71400895.18 88481517.5 43225619.05 42092908.09 104764398.4 34506157.44 26545360.48 46647134.35 61504422.41 111845120.2 64460239.34 46626481.29 33978854 97826362.32 40491407.84 43058224.95 35533356.17 157277567.3 62017178.41 41843103.06 39974703.21 60999285.54 74430790.8 134248038.3 43564747.96 52304941.86 125919116.6 46293405.31 36644504.79 34559218.08 50966908.13 153559825.9 210888577.9 82615119.87 247570236.7 62106295.86 100839984.5 98846937.05 76902095.61 111229235.6 63843743.27 126300765.4 95111392.36 155520014.4 91018476.08 Omega-Hydroxydodecanoate/5-hydroxydodecanoic acid/3-hydroxydodecanoic acid 20262658.09 5451468.403 3424133.688 6139627.68 1921920.624 3087965.581 14008794.12 14980040.14 2504980.189 5080067.132 4821069.916 9795343.997 5965750.056 12150558.9 4388031.608 18404027.11 2225129.196 1715099.796 12411282.05 2459414.574 11170.46246 5786750.796 2575195.655 762932.4666 5049492.307 3161052.325 31927267.4 5178926.515 6566621.7 8933032.543 2902835.224 6893663.602 18918418.54 1626511.031 5052532.832 1125638.263 2471388.171 3323331.37 1456316.063 3088697.558 1940238.504 782207.6685 1903801.506 7248027.702 4269789.047 2797445.279 3141342.574 1329628.819 1033198.66 2859404.023 652846.2087 6464052.9 1206840.379 6734530.863 1192972.844 3573919.012 5836615.376 21027650.78 6813943.739 6959488.173 2588148.59 8949725.411 4015044.111 8283363.754 3203824.162 14313075.02 4756646.163 4563766.507 6103024.2 12633210.07 13966397.31 3499722.005 4076972.055 6807855.986 11284065.41 3223056.919 4999263.416 2828323.984 2536539.212 13814370.64 2407173.241 8899656.722 2064097.918 5740600.398 13033281.05 6413273.372 7909855.906 10410157.67 2875186.756 1796858.676 6905798.568 5735565.589 5818142.336 6198532.494 11979870.34 1461602.591 9834233.943 19081580.25 Ornithine 571028099.6 379136013.7 204800288.8 124512717.3 506380178.7 171545845.4 119281030.9 531856825.8 95653481.98 225154981.8 221057606.3 98593603.62 715587001.7 276915693.3 216732869.5 181871186.3 313699485.2 292051653.7 364393150.6 409466652.6 2641702 730865450.4 468719185.2 519375531.5 369720052.4 307739484.3 275013922 478750651.8 202653038.1 201834846.6 257465581.1 49412082.25 317684248.7 220632903.3 262233075.4 148300423.8 635718605.3 482565624.1 87618266.8 128240095.8 469303002.1 630599513.5 477682441.1 181575941.2 514865979 340549185.1 241405164.8 243342451.5 224351297.2 282514381.7 546102636.6 368416739 577413291 518191213.6 210863664.4 213285874.6 263651308.8 405521167.6 136417243.7 132371635.9 461314478.4 117008077.5 217497822.4 567099297.3 217048145.8 542210760.7 203028435 144328387.2 390437764.8 313060807.5 142715307.9 223579596.6 174726191.4 294118866.1 404648811.8 242822813.1 223322798.5 168255186.6 233621766.7 502782441.6 198350395.7 138201269.7 319591705.4 152815843.1 247963066.1 113701560.7 360554062.2 325141770.8 188674886.2 355497220.7 244054741.8 476103842.9 269763879.8 299595341.2 259132947.9 847444225.2 407469471 184266085.8 Orotate 8134877.853 5688456.972 5617686.157 4120564.784 2433954.846 8746051.751 7119899.468 9605562.197 1788499.006 10526751.01 5566908.97 153211005.4 2671324.195 19416685.44 5149934.17 5910419.23 2571473.715 5357740.003 19012121.93 3316919.994 8619.109577 5089459.981 12228188.94 23535008.34 60214819.37 4869565.178 9046731.575 10092742.35 5978222.762 9093105.648 5348632.827 76682053.69 2188955.458 8585816.282 6011061.011 10148949.69 4882775.92 9920554.069 5074786.863 117427397 2933686.383 2600897.958 6240041.389 3965909.727 2568555.271 1839997.084 1468545.205 3395548.769 12994323.4 1787230.057 1260854.331 17779827.82 4232747.19 5574159.13 6640172.163 3691979.642 4525389.845 8184371.345 4257536.54 2280782.929 1214800.803 4263292.037 6399292.439 3191102.546 3671486.698 4437664.667 2557197.739 6894429.404 9631320.812 3722168.945 3130118.413 19195081.43 5611456.036 2711240.521 3528535.904 2694570.57 7673100.649 3591130.634 5289470.219 17249432.39 3234111.162 2982023.242 4324513.902 3547091.359 12950567.87 359189458.3 10085357.18 3342457.021 4264419.347 4912977.466 6171586.77 2238358.688 4063526.228 1779961.066 13183450.66 3603244.204 7311818.402 9406328.025 Pantothenate 36713733.97 18649472.35 6252296.51 15624244.99 16193307.1 38210614.9 70140795.88 22895261.44 58401601.51 7605641.242 13031105.17 9960115.866 115246833 6229979.701 19468407.86 72243277.01 44725472.71 6191855.83 13730115.71 18376491.7 8259.493466 62536843.7 28238882.45 15033176.15 6944268.071 22973813.59 36750421.28 10914799.23 14101884.5 12103792.66 7270193.674 9003587.236 26586841.86 15337984.64 4873103.722 21210749.18 13670785.32 10915285.13 16129682.64 20097556.04 4433554.84 13410650.85 10100129.57 35212446.73 6460200.184 10472124.82 3733012.65 8941059.752 8229774.282 19723781.61 13937384.36 46393481.34 21432233.73 9674325.034 6182836.204 15230200.56 23151942.73 9925955.789 8123239.479 5828883.498 14732271.58 37967949.12 4847562.262 9562966.215 11641895.1 75661773.49 57286677.54 8216819.275 5381675.522 8801832.798 86627645.25 39275430.56 5484892.979 9823925.61 21489999.57 10812596.04 15589578.02 20214946.87 7981897.835 95112729.58 31980826.78 12200678.47 12748397.47 4489393.269 31362320.42 22494177.06 7999045.861 13383869.86 24143034.57 4160820.162 10193372.21 13380864.5 13440539.44 13075687.27 51440198.02 17542739.54 32207874.9 70141625 Paraxanthine/Theophylline/Theobromine 5684852.457 7105532.257 1891330.305 10920329.79 149624862.2 18229793.17 161306556.4 17968560.86 30100777.94 370651.2016 22815627.24 12812702.64 556492.6535 1139028.947 19859569.76 20814273.75 7340548.448 117087210.3 21950165.21 1059181.173 615325.6195 171072.0256 33621542.84 67816749.66 14743440.44 9356502.046 132466765.9 493443.7411 6239025.998 68014304.04 23758562.87 788883.1455 741846.7574 310135.2212 10760907.16 22209216.37 5308225.123 28270766.33 13399764.14 256358.3983 29765138.19 14533107.29 35203625.45 47115017.37 49309679.59 15130371.41 7933112.619 37450757.98 30046639.52 876290.1119 1161805.106 171432236.4 132957360.6 22159095.54 112398500 1169827.348 45363160.58 26315818.59 14927450.89 67922243.39 3737920.498 51679293.24 174229027.8 13813549.33 98207484.04 24447634.75 117057747.5 7492743.474 109153627.6 159678641.2 120375589.1 49406115.8 178630160.8 62296115.73 6896370.333 176486382.5 38487778.06 4079982.542 9473475.809 41369033.58 197724.8543 104266289.3 156999634.1 5760276.379 26297028.33 22054571.96 45712897.12 60317584.7 70481823.44 933009.0723 259189.562 3469509.591 11480235.98 7612348.548 32104849.06 1400240.785 23227811.18 16389755.78 Phenethylamine 1535969.748 2381942.669 411950.1806 953636.6905 551266.5245 521656.3356 354089.8915 329450.966 651682.9849 357988.8798 285720.8443 783408.1674 1053990.946 350834.3894 264910.0709 782339.6186 707316.43 5999892.921 1590068.34 952863.9329 152570.9027 478125.7927 267665.1829 1760316.993 1279529.826 1608815.466 908555.4262 867595.7605 925516.8117 630492.8017 733449.3631 663947.2826 187549.8803 646237.538 918177.6865 762884.6081 642117.3525 309509.1949 505071.2652 640058.3734 1250865.8 451839.0839 586280.7018 544752.9784 985137.4406 660941.5019 221515.2314 1595658.015 623076.1337 606323.5396 322871.1682 502403.2394 175172.3154 1459302.916 1490548.261 468534.4213 1061181.211 531198.7444 263646.2735 3393663.186 660037.2927 26201524.08 295265.0828 738731.7833 7378675.693 966075.38 1972264.015 790105.4261 2483777.994 2608890.551 1667497.216 237628.2273 9213388.109 298128.1399 192100.5654 914024.1735 338974.4425 292527.8682 526373.2501 1572553.971 892227.7646 557989.5886 1595986.289 158823.1818 273205.5774 37565949.1 20951284.56 678193 482664.2739 496597.2488 439532.5803 416706.3246 19478860.94 477424.4351 531556.8853 168068.1219 678490.4006 669150.7836 Phenol 25228884.83 166174869.5 155000.1735 278993999.2 9525363.315 410615.32 131694921.2 2998501.538 99430794.52 504607800.1 1706301.161 159929043.5 617029.3442 37165264.22 476289.4319 1300625.916 93086169.71 881626.2795 19121503.82 65855153.7 2552551.546 886277.9152 1084236.4 427920.9973 83958619.38 1485586.082 98052005.48 353598318.6 1379210.601 1003019.515 276278316.5 973203.4062 148900.057 495762.2127 240790.4209 91978758.08 3036209.817 199125.7748 993940.6732 210389.6112 279496.4663 6096017.206 1074825.643 467409.9881 269513.9781 1402277.431 622489.4274 572493.9076 149252057.7 186167.8206 435590.3051 635949.1325 1245697.675 109179.4146 215011470.9 1115981.576 78693388.52 2676456.013 176191.5841 548951.593 817015.4558 177738037 607438.9906 2457858.877 469102.8133 2470267.528 287579339.4 196559823 3357652.297 355206.8189 9030878.205 311198.4814 45194164.56 217914.8663 49371971.41 59791689.19 631691.3769 68162128.6 675390.3155 1662832.874 130033.4269 3058754.274 509844.0186 745562.9842 110771599.3 1217152.037 619313.5253 66749366.42 36238277.27 197408.3973 724804.3032 328084.5691 1365094.835 186633.74 1738137.66 223639.2636 492130.8086 1076903.23 Phenylacetate 71399123.05 8147544.011 4621685.989 4226252.963 4830771.451 5541685.293 20953955.36 47361534.74 963717.4429 4712475.639 5810210.597 11810139.55 4109308.74 17524231.76 4336700.336 12638971.5 2705554.719 1704373.49 2880945.467 731884.7678 208185.7558 2467113.031 2330389.689 1593345.609 5255246.566 8784304.649 13673141.17 8153850.429 1558725.927 13414276.94 3507404.22 6759579.058 12401227.13 6521523.108 8981558.907 5945957.957 2326059.007 10798596.51 1640081.615 5963822.879 551949.508 980030.047 2614949.365 2063083.686 3203986.497 606707.5149 1417700.109 5129781.544 1734868.849 1695312.009 474279.6037 9867442.006 683461.3446 2323036.482 2292649.678 3571609.94 1114694.189 7731330.698 1048122.913 1186004.789 1895097.918 6301363.69 4625742.845 1389443.186 1916319.11 1081190.886 5755470.882 1798825.584 1310805.206 1243067.404 1587793.84 5047652.868 791259.8385 518284.7315 1308140.673 2026735.016 5015675.856 3600056.607 1317759.209 47152985.11 512770.8099 2015330.464 2014045.141 671336.815 9572089.785 7072363.986 6016818.623 8985443.492 2770575.063 2042337.274 5033646.95 5591526.568 10906816.08 918311.3936 38345118.09 5640333.846 8284661.909 68291086.56 Phenylalanine 3616167120 1922892844 1477789425 1559035420 2311525266 2104861217 1737756818 2273677443 1590828696 1829306517 2846392110 1174500151 1751399506 2233865284 3670589133 948922204.6 1822859454 1383489126 1281482832 2370942614 51540.19611 1772152648 2070701863 2395745955 3407836246 1643261712 2884129534 1957817034 1707315210 1569776937 2673911167 2482161149 1527431122 1476828118 1878395032 1541303437 2571989230 1611971509 973278520.6 758433168.3 1687294272 3504459616 4121292569 1691916052 2539494479 874368131.1 1883886373 1938491644 1928190603 1449139955 1867012246 4397707270 1447775188 1772577448 2269085562 1785682998 1337686109 3029701327 1190089768 1167291920 1624558107 1267303986 2584213339 1474669547 1439958825 1268907267 1571831675 1496725440 1326009921 1520199258 1586508870 1609599609 1459815928 1359767793 1308129295 1516517958 2471153842 1467495756 1521059282 3749014134 1209981944 1233499926 1203433336 1585401319 3130769152 1804341420 860787524.4 2152880567 1708238763 1165813120 2356237132 1952955138 1258125498 1547016120 2422882182 2537819478 3835282449 2020389014 Phenylpyruvate 1958666.003 469102.8982 1124312.181 1443353.768 3394231.904 1879702.934 1123665.489 2310854.552 4396435.746 1627552.5 3460552.092 1597708.484 1173155.237 2499348.105 6171357.746 2967156.701 2802058.538 1602805.352 773811.867 7548082.809 42461.19445 1224349.766 3549050.682 3907691.135 5841177.591 1872808.852 2619526.098 1426787.238 2027142.506 1067392.875 5114735.727 1753578.949 852105.726 4373037.135 4516954.325 2909511.325 4092863.199 2330330.422 1112807.506 1382873.551 2627820.323 10903048.66 11052726.76 1658631.969 5122480.724 1050571.792 3185540.42 5664315.066 5353091.23 1531594.514 2613838.114 8143892.772 2546211.609 2747447.544 3436605.942 1807242.1 1269550.252 1627122.657 1559125.363 1386990.042 2137315.259 967853.4821 10678232.85 1620107.675 1586697.455 1127742.702 1856616.127 2313569.842 1625653.094 2113554.788 1219217.79 2156632.975 2675233.797 3039262.287 966798.7478 3748841.055 3240525.754 2007644.821 3242939.104 17835510.38 880701.0448 1602689.627 2180878.336 1528843.72 3955990.98 857833.4416 412032.0658 1406052.697 1182663.584 5178455.845 2684168.2 2418319.879 772478.8909 2965844.199 323059.5968 1662923.456 887946.41 2190098.728 Phosphorylcholine 5917748.139 46712944.39 2159801.847 2114582.392 23810132.67 14063244.03 7884087.241 9345803.627 7758687.591 48017153.02 7760509.441 7599126.747 16688032.81 2891048.382 6486322.93 1887497.582 10376692.95 7263652.841 10050289.61 2820823.553 29631.16985 15665894.05 9697617.419 13930572 3752903.299 7131394.679 9325632.101 21593178.41 24303157.65 24782797.04 16186494.22 4822858.73 2678986.243 10019428.54 14238925.89 12161391.59 10783220.52 5770754.333 9106835.539 9893725.539 9245277.988 12780496.31 17611677.22 8510330.45 22090753.07 12453586.68 4258738.715 5457442.213 9288909.913 21915397.93 11674383.97 12709123.54 20527768.94 11974854.82 21180584.74 6640073.761 33523495.18 3570935.479 13670241.54 10201748.63 13040018.85 4422764.841 4133781.027 14296958.12 62786666.18 103748768.2 6752250.525 9583745.959 15800431.35 14873624.76 35089649.63 10110011.36 17417923.24 22539951.08 15436297.95 21917866.16 17537274.63 12508202.85 31946825.54 2603366.399 13024361.1 12173795.23 12975676.84 36976841.06 8209873.132 5595555.449 19209402.94 9319564.225 5601480.294 13781464.71 5894551.038 5555825.275 27756453.51 3523424.549 45722031.32 47928646.3 19656452.53 1315482.666 Pipecolate 13849021.96 135737616.3 105043148.5 33241903.24 173694405.4 96390562.52 38843475.29 172355646.5 25053987.08 405988624.8 71915251.07 131607479.8 119106810.5 174277745.8 121874447.5 128100976.8 124681670.1 169301385.1 9005597.005 104012327.2 282588.3078 117702367.1 498650291.5 255002194.5 247588580.4 88813870.67 211304328.6 325422105.5 360143949.2 119605069.2 302425276.2 63320698.87 16607179.95 221802335.9 215578754.4 339067180.5 217397237.4 105276667.1 76292711.08 96943341.56 205726353.4 180293916.5 196058898 408453300.4 384244829 279029632.3 159971283 63231032.71 94980009.86 84514551.39 183409589.8 332512315.2 346752960.2 196752133.8 221485696.7 108744973.6 236895442.5 190281418.2 241004456.8 271002774 154263310.9 3828601.745 78530809.37 284202277 308044537.1 352306611.5 259142652.9 110934540.2 177098744.7 468125270.5 123390298.2 64524215.45 247384364.9 240883270.5 318902455.4 216295438.3 128600126.9 309928052.7 388262531.9 7974176.032 129929234.3 169387965.5 206577902.4 228057574.2 201767846.5 15217607.6 7595369.605 158535896.4 169918788.7 190839451 79638518.9 267735349.6 5766324.969 150511556.8 83679168.4 304566917.4 15955894.35 3687547.119 Proline 9753880469 5962956739 5684076341 3668536329 5706388494 5923018396 3523557941 4193639042 3555882923 4816938525 4766864247 1958426018 7422912559 3110346489 3287839530 5704658328 3265953370 5765493529 4163579424 3465730936 783392.166 5306619153 7186275928 6804642280 4365343014 3379878584 6932158532 3371610835 7606469003 4280089286 4836703001 3420803717 3280279963 4201790741 3965679448 4276732264 6207687985 3746219744 2731146066 3678940469 3752600661 8207249037 4598598330 2657204831 5475000571 6116709744 3379729051 3430219635 4899542616 5166098447 4122945543 9229482296 5696714601 3976080160 7777882193 3375391482 3628938400 7795836938 4592934811 4026912776 3415831963 2736152886 2856757569 4592514931 5111136967 4448506189 1825778518 3652016682 4473944388 3906540740 5221843519 6058870942 5515872413 3804674198 5791057520 5721544892 3380913199 5436427341 5358911147 6788761729 2810113346 3674490689 4964756690 4592143963 3903347496 5286580697 6864110585 5049717729 4354799347 4719953479 6386538537 2383271517 5827711050 3447364791 8043560419 5631413678 5539286879 5429431512 Propionylcarnitine 59886065.55 106095993 46833823.65 96068672.08 112987249.5 223651719.6 114256594.1 369207211.1 33388576.96 340516204.6 91896215.11 98045306.83 77749620.31 158443174.4 86999344.86 17897043.12 34468631.19 86274617.89 71627952.28 106205030.3 17449.09131 63405411.11 92867528.98 121962462.7 112413862.2 48233924.5 183342159.3 384809063 164373417.1 364864709.3 219810585.6 68880723.9 56044140.56 42966049.29 214012748.8 107954012.6 67043940.49 62867457.88 65727167.34 89559164.14 99174372.09 139643126.9 154154350.1 115506162.8 130840824.5 136230152 49983346.01 139675829.5 151730107.4 157648440.2 116693296.5 226336180.2 119312535.8 113264444.7 132449231.6 49529571.98 118187888.6 83390508.75 109284145.6 58834829.39 67652816.21 18312278.78 143061586.1 110088812.5 132173145.3 73825476.7 71039335.9 64599807.66 83520727.74 149724483.3 158263761.5 148996035 121024287 74382675.68 63907748.45 128655377.1 189656270.5 77936920.1 103095288.2 82809193.8 109251219.9 95613069.93 99447370.9 113021898 206790100.2 70990922.12 41791069.49 183828141.9 101811483.8 36360014.14 69703779.61 186517476.5 25759446.94 104088490.2 156542247.3 189658420.7 27340009.81 17319062.6 Pseudouridine 148894054.2 73084401.14 92455368.79 19652638.64 210045382.2 205303437.3 169859310.2 83480330.77 17886567.57 192637693.6 189249884.9 184382543.2 49244551.06 124390012 104765790.6 26555142.94 65236931.93 67433030.01 171272312.5 92901547.59 11845.71958 42589710.46 103742582.8 186373099.2 161516343.6 107861561.6 57376622.94 169584305.9 87660651.59 216705668.9 34901654.74 88246492.91 96459766.6 232888464.5 79819912.05 81607197.77 149241393.4 143405385 32536088.78 638516747.1 48171718.44 106607830.5 171021576.8 76338277.02 100384663.9 110765855.9 49620987.38 120004573.2 110667689 72624889.95 8177514.008 222646383.6 100489628.9 30941799.45 92725520.06 64011188.06 60939688.74 37588342.22 46318297.93 33768346.45 15807626.28 165882207.6 121301695.3 97955413.14 54708639.84 46839415.82 159793543 64959597.28 48271088.89 52384642.98 130639629.3 62658466.95 51679155.63 54234552.41 85671444.73 88225712.97 173875811.8 75542106.87 56016270.02 213791820.9 106213733.6 50464367.99 55224366.4 58482169.35 80591705.64 224271563.3 210606058.2 258169201.7 28875799.11 104435836.8 51871113.27 154083556.1 197935204.1 84378948.85 94464091.12 131652505.6 79545241.4 71968870.08 Pyroglutamate/Oxoproline 203053860.8 271493708.8 177866660.5 178702652.8 198268421.3 317601381 274518498.8 358150540.2 219083948.6 264183300.7 240807682.4 242300813.5 418167583.8 350850318.5 250550093.1 319279259.5 345443960.3 316382526.7 317697760 376954982.4 407528.4988 518641392.8 253526018.6 235737154.6 223045326.3 420870380 449695580.5 228328006.4 425750627.9 276654412.8 228121209.4 406629987.3 221343362.4 220891071.7 1057467124 170838553.5 257817386.5 338067324.4 272956656.8 481232428.5 320619705.9 328749786.6 291713987.5 280878850.2 571312878.7 268710214.5 231040775.6 328852803.8 308377658.9 287313650 297863770.9 287937897.5 225187692 348551893.1 297626187.9 193192098.8 277420853.7 394129781.4 285951706.8 252902654.4 322607334.7 306399286.1 263945228.2 236127502.1 328778687.7 308667009.5 184140615.9 282379287.4 344561317.5 265887821.3 281558748.8 313353627.9 266879613.3 262449599.6 227781027 352619714.3 247574567.2 250330583.1 279867874.4 432209600.6 230931573.1 218543755.9 279193114.5 232416324.2 346486757.6 355245507.4 245273927.4 410854354.3 269522814 364681589.1 412756720.7 252564051 450735893.3 281618744.2 498294142.5 236605010.1 488409430 440638765.7 Pyrrole-2-Carboxylate 922042.7407 528426.1333 441108.7492 3873741.295 2287788.113 710487.5382 1041474.011 597986.2122 147021.4532 1406914.16 836143.6897 925615.86 1834144.241 2282186.321 1575948.856 578811.8329 1247406.466 1507249.842 1499589.702 693999.4636 341487.4574 3000692.868 1455787.232 680240.099 389709.8785 522521.514 1775738.774 1571133.186 3184392.099 652441.2881 1343717.48 752969.5856 1615654.632 228643.316 1373878.689 3011886.877 2015681.094 700042.2165 1752004.643 230180.2688 2141540.166 2503673.517 717027.1313 2170068.94 1106098.007 2312135.466 1501079.965 2541228.067 734615.0452 3116572.136 837324.3006 947872.921 1461316.4 1454587.894 2724204.088 1627633.155 3438978.011 945987.1018 1812753.774 2994558.187 392972.6396 704196.0115 2003565.311 1842654.11 2380119.932 2714104.548 840157.0126 1801470.751 1993405.046 4234797.187 3098792.161 2403052.322 2585307.965 3405830.784 2565740.3 3387826.974 1722960.451 1575275.503 3205678.88 1038266.338 3538777.976 2196886.396 2983413.239 2169881.066 1501798.133 792038.4725 329252.5393 588227.8595 1467256.898 397561.4406 220909.4944 936840.1426 323867.0609 848523.9884 2210100.804 2397838.836 402936.1608 442996.9693 Pyruvate 8044256.458 53386591.43 92309329.14 58398229.66 39203013.5 23375797.1 44536209.35 56882068.03 53970800.67 42455922.89 53478325.34 32114216.21 54121514.82 27103498.55 28595442.37 33738915.95 29731335.04 26345435.68 48985049.43 73410063 1379608.643 58055293.51 46533748.17 70747340.34 66142887.94 22788164.84 61155694.16 30497263.96 22321619.44 39685700.69 69819585.43 9604419.015 61513197.36 37202290.17 41814861.69 31042027.14 41814536.09 21365976.33 27689891.33 59352990.31 47235415.47 62857345 81073731.73 48098861.91 42905436.71 44252034.8 51722776.4 50959950.3 28078653.31 27434429.4 54971063.8 21338316.07 43858926.26 42990217.73 107918090.9 31361662.66 27597548.59 62258254.52 30660909.04 31299519.49 108649089.1 52424516.68 74940967 26316076.37 55079817.02 49112705.52 36739567.69 22767722.21 17998214.51 37724940.38 55453274.95 35490033.22 37635819.86 38635448.1 51331961.87 62761059.45 58080617.81 132794124.3 52849177.66 23116064.43 44988713.81 49614165.73 45818978.83 52198432.93 48561597.08 81502674.28 48898947.16 71929642.19 40165277.21 127258054.9 78392543.18 5160827.689 61198464.38 62781669.97 68067787.22 70630485.86 62294693.69 90978708.93 Quinate 274115.1399 4748390.702 1510361.217 214342.0916 1321595.691 1253537.513 1596578.369 178490.6537 410803.9054 1201069.929 695298.1235 2527026.863 455129.0587 227743.0947 314874.0245 1714720.964 946832.2124 5477493.655 5798701.758 399784.4396 64762.68886 498930.172 954733.2077 6078962.714 1097144.873 964606.7881 1050482.859 3390467.614 387046.455 2463744.173 587551.2712 140203.4067 169486.3509 2311312.847 545111.8399 829311.2171 1169368.778 1350548.441 549789.0405 3161231.793 1124665.058 523493.2064 2791091.981 211713.458 324392.3095 3728462.099 128986.2373 2999346.948 337014.9244 1328371.585 2633317.342 3153170.453 212245.2613 1459030.034 1417692.408 325963.7642 2760651.235 2836357.219 1038368.115 5721151.812 1036961.654 14428089.15 1471393.863 754555.9062 10205492.4 604767.5977 7635156.015 11268195.39 2179876.544 4861149.384 8164281.159 471420.4049 12699628.36 3264434.095 441491.396 14586153.26 614311.6074 546038.233 156028.2829 6859280.971 534504.7083 1734505.673 4391857.188 419992.3765 2389696.674 13832703.94 28801522.92 1274595.642 1919229.292 689624.967 379451.5008 2815969.095 8924560.695 4125275.96 1455670.251 341518.7792 916000.9237 3350843.932 Ribitol/Xylitol/Arabitol 91392967.65 31280669.54 20276225.51 7260417.038 32591075.99 53180383.07 47417979.3 35245313.64 13273469.23 57059394.62 40156324.28 35872889.65 26081461.72 20290397.73 13749968.78 69400839.04 24958282.22 14471771.66 35648357.44 23558527.6 12210.49182 29197490.97 28414891.11 37829875.05 41280770.08 29522849.71 28166659.12 42429595.74 24154126.86 56217163.89 17022686.19 13126384.59 35939839.6 55049978.22 35136989.06 17488079.76 30769458.2 17832782.29 6980430.921 115472160.2 15401539.87 23193176.89 54873569.26 9752637.921 19195244.9 28669027.73 8181798.442 18389300.48 17779891.03 40170322.21 11556217.88 61294346.76 25553761.82 30283036.17 21801593.1 6981538.41 13755885.81 23899536.91 7135909.559 8235966.181 19697604.75 53135045.39 15016153.7 36220176.41 19007993.36 20167413.94 33021562.84 14844015.34 8245626.763 9235038.793 35495251.57 16223682.74 14745244.86 14958557.52 23252789.19 25429917.75 33664381.09 21193002.44 17545101.04 71883862.46 20924227.47 10390723.68 9438380.715 14562470.8 50237398.72 115811571.1 80493502.36 58242404.7 10312583.87 25049253.52 31519002.01 53512470.51 94116662.94 21625994.75 31700673.02 25447736.17 52209149.74 75241031.69 Sarcosine 49743184.01 11991710.18 5846519.29 10432200.86 13292655.76 20100144.89 18561969.97 18512629.71 9896217.369 18134728.87 14928236.45 18285611.09 7450772.532 29699427.95 10797157.78 5067986.906 5836128.011 15221341.2 9395654.708 12863106.38 115394.2142 7983489.141 24136954.56 21221337.05 12643657.13 11413806.28 11603280.82 24509793.48 18833961.81 21473505.98 13302832.66 23177818.75 9466841.882 10877603.43 18977137.92 20027952.82 13438472.08 10792916.34 14213051.06 8835065.561 19513068.88 15901927.82 12473438.87 12200728.21 14843958.56 17974564.84 14432590.53 13479873.91 21451902.02 9634779.039 11914294.71 23416243 21112528.21 20353701.71 15934271.6 9700680.366 14872200.8 11698809.57 14239862.24 13956048.59 14431983.32 9713925.75 12526610.8 27800669.83 28145379.32 23427436.57 8908920.564 14802553.96 14626967.49 16068044.91 21547961.28 43128862.4 16364940.86 20563565.49 13956326.19 17757006.82 19929599.19 6685488.351 22613319.62 25949344.41 10212206.87 15083849.45 13720769.9 12378363.09 5394115.226 8413355.823 14029231.43 13517064.87 18279524.9 9470974.165 12134553.31 8248730.758 6670292.953 20781206.75 29119639.31 29755019.82 11811471.34 16834031.54 Serine 18624375.8 10057148.14 6780827.387 12619387.66 15274119.66 15046191.43 8932342.4 18091568.55 8455172.953 12404398.85 9829045.195 10968666.04 27222452.28 23689946.19 16454564.16 17310212.4 8503561.682 18770848.72 15014608.9 7833389.195 39727.72871 11812594.4 21749586.61 12143309.03 6408954.12 9937776.133 14863825.36 17474693.67 32055801.78 15806730.59 13661675.65 14096990.24 7254583.278 5772992.384 19314876.99 17227079.7 24993934.53 10897551.13 15695443.59 8832264.817 26268522.09 23073006.27 8014460.545 10428316.1 18456847.6 25776508.31 13209279.71 13211314.79 15340474.61 16080489.93 13162811.98 29103113.73 27916709.3 15506603.16 16827839.8 13613769.43 19811462.87 15037497.45 26804742.18 16687465.59 14641934.31 5647153.064 8037146.532 25537235.82 16696591.42 25283270.7 6862752.308 9396846.595 25530793.42 20475066.64 20781765.63 22692621.42 25790699.46 22633659.83 21269678.78 18128357.53 13225910.8 11382007.43 22695518.67 28233442.72 14270424.96 23482470.86 19863793.61 15223458.78 16732241.9 11312563.97 15355903.85 8719348.731 21787360.38 4384747.213 7104727.615 10031380.32 10054610.74 14750683.28 13342554.03 13041463.59 23724786.19 12260842.37 Taurine 155040911.2 524433829.8 102165298.9 90586096 207840856.3 271996270.3 626296825.7 715528811.3 107489211.9 311241735 251170288.4 131899099.6 140679220.8 97023528.42 176398976.1 120539807.7 181027999 172636131 297410405 94408230.19 10203.72181 167033507.8 237232275.2 180763243.7 163596627.2 166603056.2 220439324.6 262963573 206183362.5 355179101.1 213904749.7 186590905.2 32300080.19 232527753.4 213260110.8 195852088.9 151984953.4 110784030.5 261779217.2 48872973.96 129463194.9 146838255.5 209478815.7 136041519 217770281.7 197937328.2 72093422.88 97394980.6 194529390 238500828.1 68615061.45 324378753.6 298047296.6 114437019.2 197366298.2 118079633.3 481186288.6 226000901.9 214444863.3 270436675.4 71541694.18 275442481.1 150839401 309844724.3 523318970.1 900929514.7 361427734.4 198381062 362309250.2 332252049.5 300127836.4 282360317.4 296535013.5 148992731.4 283069616.6 260460504.6 120128118.7 201638956.3 406385188.5 173156441.3 201964817.3 277323490.8 235091613.3 252247825 363510990.8 117642723.7 155144457.1 143011194.2 168031286.8 318206419.2 215681048.3 261263978.3 255401165.8 118982047.1 570913283.9 284771245.1 87805631.3 58160523.74 Theophylline/Paraxanthine/Theobromine 7821109.892 2684414.521 1552817.019 13701321.16 196686379.7 19892499.72 38275330.5 20487878.66 30111991.72 85087.05005 24387690.66 7438663.202 1084614.217 2363406.78 6721560.653 19791840.62 11715905.05 82645201.95 46504033.38 892340.1369 76642.63319 527457.8877 26977336.32 55854427.45 13831404.4 8245888.914 103674146.4 143431.8521 7005471.835 76275335.59 27170400.67 863850.8769 715593.6369 1898147.08 8246421.186 8709066.005 8957502.212 31709366.54 17887270.38 309622.6409 26191465.07 11157532.5 29957665.07 20314091.84 55809487.27 11188993.54 9102311.105 55883970.5 6787833.371 395855.4816 2069911.911 74551132.78 35986813.01 29253667.11 111262510.7 1187195.586 56318793.03 21163680.92 14545199.19 10432464.66 3034189.691 62809345.62 103574120.1 6025536.151 131076941.6 12748416.25 98161046.4 1503564.843 118924439.5 144522583.6 81215195.19 26675471.65 156980586.8 68768607.04 4061502.525 159801865.6 23257042.88 3645578.734 10555416.18 14031362.1 81856.60536 56053642.48 112620456.6 11875154.4 7207552.473 14581702.84 68374631.66 44390251.32 55920287.28 635689.9288 156717.7315 9123274.869 15347537.98 12813757.94 60990979.56 129758.0527 28019480.39 5894181.218 Threonine/Allothreonine/Homoserine 280908693.8 246457858.3 167917627.8 133238777.8 179757628.2 371470184.1 194884960.4 406545263.1 187013718.5 170138626.2 242186562.2 161895421.5 369307972 270251940 238603876.7 198545076.1 73061382.8 269383365 303747072.8 151074255 21477.81081 179757197.9 277708779.7 201007109.2 120166160 202382287.9 337860890.7 284124020.9 459960799.7 303344334.3 202857668.7 218570354.8 117712212.4 145097695.1 219187080.2 259577769.2 317876553.1 192840702.9 110702980.3 66712005.27 253778634.4 378356504.3 160951680.5 207033928.6 274375281.3 275883136.8 104115437.3 196521397.6 261545484.8 251521725.7 180735002.4 356701896.3 257232780.1 264015337.4 212096788.4 252924983.6 349948885.3 331232868 334065792.6 294880819.4 255719733.8 68944208.06 150036632.5 306004757.8 283454282.7 341760269.4 135254583.6 214221874.6 372007966.1 269634350.7 349440766.2 321693503.6 375044434.6 202560121.7 261542003.3 252941720.2 155793299.6 183899983.5 296146819.1 280635250.5 278419418.9 318790983.2 227394588.3 324770809.4 242810914 168366647.6 187270878.3 194716105.5 255691840.9 149319567.7 178160652.4 179707322 104906018.7 192233758.1 427000838.3 232555727.7 309694939.6 243422704.9 Trigonelline 55722718.15 354281344.8 65453981.42 13408786.64 282965093.2 230192765.7 30902064.02 8963271.055 13760825.73 22946399.51 84247141.87 92823542.05 12375911.8 34848157.22 8412996.688 569236078.6 195689132 778490025.3 1020168620 831686.4787 106878.2476 1439148.311 54298254.72 524510343.3 192006137 330585143.6 54823004.22 92657028.07 8925141.632 63387148.68 62590371.9 24099652.85 5887236.362 251618217.8 6322659.157 39890531.19 81407674.94 31221565.3 26148366.45 208354896.9 173064901.2 72305121.61 190335033.2 13176640.91 37090362.98 621794960.4 420332.4868 384282700.5 50015286.74 4644299.599 28292932.67 640623659.4 134510759.4 219207048.8 174434895.8 1392437.427 262631950.7 21821428.86 92971247.66 528155209.1 27504166.73 1198072231 811967170.8 126253224.7 613938245.1 36721812.28 670740294.2 60510884.31 856044010.4 851197135.1 265183472.1 185535347.4 744094199.7 415774552.7 220708823.7 726060298.3 44680898.22 24986063.8 100844807.2 1317706330 2021955.776 235924323.3 987975048.9 35743520.32 216319015.9 784455424.3 868387900.5 226891401.8 6966640.816 38570378.27 67982092.92 127260907 1426296402 241105474.7 241867532.1 21645385.11 9351919.159 153542905.9 Tryptophan 1083994311 596270187.2 185463496.5 575139667.2 379355683.7 620561746.8 617020035.9 613997210.7 732001444 444344948.2 433594039.4 294059059.5 483242412.9 1107656386 196475058.2 160615853.8 221902655.6 738091952 249100164.2 274622158.6 14552.06994 744083615.9 1207997693 504532789 198431758.3 150598723.1 561791773.9 693942916.7 1196732149 419505959.7 640427071.7 464291122.2 114690527.7 559200031.2 341675273.5 1155994523 860843482.5 467104429.1 439306990.7 191080458.3 656764498 552843160.4 439165063.6 302788033.5 781589408.3 170773307.3 432410662.9 543829522 672113665.5 304448321.1 1079792965 1300324077 919749539.9 474510921.7 700187852.7 449195518.3 689698351.8 684240385.8 501387141.5 431169961 368862197.6 146854960.5 208045850.9 703536077.5 754245824.7 720980470.3 248545856.2 502253052.3 634041029 827297637.9 754692904.1 604586995.5 584119522.8 869727904.1 293511536 728967411.5 489857871.6 768091613.4 1105432413 1146564425 279794194.2 630380743 602927817 920709081.8 672728325.6 257504404.4 165603558.7 401948282.4 314450823.4 168412604.4 116472250.2 422475730 198273928.6 477956310.2 486069312.2 219016966.4 371207233.2 265039994.9 Tyrosine 446236204.4 203654478.4 183874393.8 199885965.2 127152469.8 187167417 176954850.8 388303988.1 109357475 197508777.3 169675330.2 122455684.5 188107951.7 428536105.5 141150511.8 113547121.9 73100470.87 146300488.3 124375166.4 126842648 26644.34297 161522507 179455906.8 150907922.6 202818914 127843460 327116015.6 140803667 348739566.4 225197629.8 161478513.5 199429243.9 91344878.51 152675430.5 142136646.7 231280272.2 179930736.3 172451139.7 80972045.06 60867149.81 128773478 105828090.3 126733482.5 76975554.1 140158322.4 84250869.99 87650191.64 109848072.1 138510321.2 131594214.8 188354968.5 526817674.6 153207092.3 113661047.3 133490783.7 99674303.76 154644650.5 364918807.9 94538395.24 127142639.6 214821967.9 80549202.56 103867765.5 148389044.1 135219736.4 122672667 125907699.3 110578569.6 208728788.7 168446216.6 130167673.3 236544985.3 136644468.9 126585153.3 122633997.8 170142718.8 132665716.2 116232552.5 147411747.2 560482633.3 74917504.48 170006402.4 115559131.2 103892954.6 218642561.4 215069863.3 117260084.7 186378138.7 203256559.6 60463334.31 99158176.36 166091606.1 103883899.4 79825323.9 266857010.7 202646207 219719488.1 285031616.5 Uracil 7292315.959 3828492.101 1987161.4 4059999.237 3941641.12 1399435.067 4897187.609 3291460.945 553535.4073 3614498.873 2503616.144 9121732.66 3062783.704 3902332.84 3057020.804 1432440.231 1054851.761 477939.7753 2361778.18 1261486.41 814827.8667 839051.7026 1837142.884 1322554.401 2709712.815 1714671.313 2671195.135 4718354.482 2167323.566 3854544.709 3027256.208 2121755.581 1845849.748 1521829.999 1478490.728 4127347.089 1989463.088 2215762.908 1944263.33 9524775.828 1781898.067 3836242.809 2535149.988 2734170.762 1156540.125 1225992.458 1085141.735 2654170.457 2833892.862 3239716.74 777747.8812 4068108.294 2075207.278 1555925.179 2164865.398 1023007.103 3371514.353 3013596.214 1171285.777 1391870.128 626045.3768 2669165.062 4012612.888 1545304.611 2073357.654 3952234.292 2515167.975 1679308.018 1836063.225 2894136.95 6692227.015 1881183.183 2510590.531 2219300.505 1772697.772 4970917.862 2220475.688 2505987.878 3049492.553 3251232.009 3077320.248 1493375.393 1878370.758 1164758.343 14244565.71 3458298.952 1707259.969 4123052.799 2088582.391 2436269.497 9230098.755 4533278.831 2488243.244 1229080.253 22165862.11 4715071.981 3009319.141 2705138.692 Ureidopropionate 15735014.32 7447759.529 1494383.779 1550203.239 4639813.089 3809623.503 28635008.02 50268952.35 2301181.236 6704174.212 4460720.148 11980555.89 4095487.956 8281606.094 3140614.89 17215576.01 1687363.28 5137780.493 10099071.28 2231813.542 61896.35793 3882372.874 1398082.32 6763121.314 2704647.402 3932020.405 9803907.471 5783314.984 3016055.885 9054460.346 2527153.933 5171943.636 6752476.646 4715166.451 10866708.42 4706109.247 1442705.761 2870016.545 1237139.752 5394819.76 1102555.642 6161095.317 9517675.8 7526050.818 4517646.799 2819953.353 1555021.723 5601909.203 2841856.933 11970530.31 2193951.079 9492216.345 2833465.244 3560927.436 4936463.642 716733.4682 1699583.942 5417836.958 1456499.95 2429870.902 2731504.84 17203808.92 5006131.967 1559393.287 5466459.447 953436.9342 7465400.617 2162835.046 2952887.083 3064172.418 5385989.581 4374255.912 5877054.381 2191184.545 847440.6438 5099777.002 3788946.254 1118483.034 1277655.272 18846717.32 2477236.218 840613.2585 3222930.86 986226.188 6264701.528 5876111.971 12483695.54 9764949.248 2669910.296 3593701.955 6869370.902 5980222.471 13257777.48 2767901.534 18160686.65 24720347.67 15231968.57 22124376.43 Uridine 48033597.31 197772596.9 18747129.19 136857234.7 68633996.13 31240081.52 49726250.6 31406507.65 14072026.2 43122383.61 25761859.29 38634065.21 76316540.54 59162709.94 55314393.63 22762495.93 32574184.43 47296640.64 58850181.71 30074247.93 16062.75626 82162278.52 33544468.17 330466285.5 20473514.41 19791645.01 46916687.54 273561111.8 102322245.1 43883613.33 49466082.86 11996966.57 37993374.87 15949818.38 52946524.1 115966216.3 84592014.94 26576165.23 69724024.58 19080725.45 71499987.21 71557048.98 39156350.57 58182090.59 49221837.08 111111550.4 52591831.8 103723077.7 70149828.95 110330342.4 32541853.17 159938624.6 153286090.2 57565316.91 73505733.17 55578876.31 122003610.7 39681297.59 74705535.58 85250529.93 8149574.604 39915559.17 48869873.15 193029621.5 123563675.1 79411773 29001843.2 75330279.2 72037346.3 139927640.7 105691670.6 80395076.54 77656805.04 123896628.3 92847456.52 117695372.1 53455711 42863291.05 209661874.9 64014616.27 113994686.2 80111698.73 102035837.2 85576172.9 158226584.6 16174752.53 20623277.98 100317543.2 55119857.18 18812454.43 21257009.68 40284094.26 20254352.12 36895632.05 36045470.18 72630491.53 21382876.17 17602367.04 Urocanate 35724767.33 5306830.744 15231202.57 18275359.94 7109676.315 16293164.73 21283381.05 16161137.07 2931324.358 8296708.601 3029804.063 7814993.253 11970961.39 7535701.328 8890227.935 609690373.8 64749586.02 3705161.039 15584695.45 100734307.5 121345.1388 33314112.46 12479215.09 15041695.18 18724437.56 15670037.86 15104280.64 64218077.91 9908197.569 38598622.45 15134623.44 52282175.03 26644654.48 22913293.88 48695847.69 10655048.71 6257938.546 5823356.83 15531084.84 16431684.7 11037397.63 5836260.452 4307120.424 6774258.271 20804021.68 24260908.32 25179263.88 11558499.7 4933515.413 3651793.695 7091622.674 38536639.57 11470589.04 25066369.51 14630520.37 9468080.387 29351112.45 6910583.686 17176682.75 12668889.59 23725705.57 7105203.262 29580173.14 22339052.37 31805564.34 38174102.85 4733290.951 25748997.36 41025915.69 34920421.99 40259294.85 23299954.42 25502721.51 29930780.84 17908724.15 28286495.92 28305161.88 11864186.4 34731876.33 32009134.02 8266897.997 53139051.19 16650724.98 64259467.48 19058625.32 12272503.73 10339253.74 10010466.76 9881117.301 13221250.2 38983192.29 7096785.915 6420863.414 4256004.463 23438886.95 7960126.855 184317405 560010946.9 Valine 518822017.9 334869088 317971324.9 514176667.6 737123259.2 637042994.5 233835587.9 311276287.7 569330175.2 508667614.4 570858303.1 203826068.6 1017559789 649774695.2 577516718 109603902.1 517945302.3 609350373.6 239232029.9 409053671.2 107675.5795 550032653.8 479945504.5 513082057.7 389000378.2 406649751.1 402446819.5 452128377.3 642994599.8 344948449.7 866598936.6 424743302.2 238488770.7 199711558.6 417159357.3 419798625.8 816488856.6 841186919.5 264097732.3 127426152 533628481.1 930912681 534826783.8 389503418.9 854957185.5 342878032.6 400389135 644494928.6 520746258.1 407140803.4 886585681.3 651178281.1 514881957.7 524838838.4 636760478 686949370.9 641795245.9 339189610.9 616989019.3 556902345.4 382071283 288290719.5 209629608.4 619462504.5 547991122.6 673702919.5 328365057.5 498545945.3 506418417.6 787566847.2 836596923.9 834129496.6 566336761.1 532377065 420175649 620359092.9 448642497.4 248250445.2 628018493.8 366634067.8 395750598.8 511430927.5 507986862 543793225.2 538200203.3 548998902 244015203.8 544623129.8 452169486.3 245826615 309025156.2 612733159.1 408581732.3 316765937.3 349891807.9 475753037.7 597618662.1 160124659.1 Xanthine 123821401.7 51292676.23 11609582.86 33124329.64 14428211.96 14056603.32 101723255.6 68619841.44 12231940.64 29440292.43 20863040.06 107989034.8 27065956.62 136155664.6 35896115.55 28168226.31 9578215.181 5253817.008 62480172.42 11440223.19 213519.4507 23568116.87 16090495.7 24958320.87 28279739.8 42624259.58 51086131.46 42861090.24 23495649.03 35106705.64 17302475.68 61054229.01 20006686.35 10747502.14 62440228.06 29205476.88 595806495.2 22761536.44 31957394.37 1428430859 13860094.04 12801448.48 13399463.85 34228949.47 17943621.72 9463569.794 18774304.84 27562138.22 19077552.48 11326266 4175035.961 24165303.87 11845593.16 34310690.99 16907964.09 17869991.34 24763986.09 37560994.56 7277252.97 35033538.99 14815582.84 14327241.72 24600122.61 19248585.44 16682828.78 16985829.93 19644856.45 22727630.08 11976276.27 25536485.48 22995266.53 320719757.3 10697909.25 20172984.76 13454481.16 22388516.92 42749447.57 19098788.14 17422333.41 32775460.83 12069544.65 17679618.67 14436519.86 15532787.21 78857198.83 41995668.9 9762829.058 43385450.46 18474584.92 14913940.47 7571486.837 17313075.67 10918790.89 7572159.501 12013964.61 39950008.87 1082698.237 28393529.98 Xanthosine 290282.0564 436279.6687 247478.4321 250602.6452 196685.7405 227961.953 985508.3284 680183.8452 311828.5583 111431.5942 130883.2566 2070873.372 299879.5886 670785.5761 128533.0395 409020.1105 290059.3436 152903.8561 778738.8538 149880.8401 12086.40464 186226.1528 167489.0285 428113.7948 721131.5978 383191.382 312962.5815 599328.8193 215760.5765 370581.7328 174800.2438 2020552.605 119002.5676 79050.47649 714163.5232 199254.909 3618827.625 102362.1507 136450.8417 18900785.77 87283.92295 356725.5469 164780.5581 170139.8762 173301.4089 509049.0958 68739.93396 318030.7665 197942.2575 248158.5853 45632.70506 220582.9459 87450.36701 93932.33665 123113.6815 102684.1208 90918.09465 64979.87759 149413.2825 145651.6384 112804.0119 224755.2468 107916.5986 188844.0698 99494.79242 85312.86552 399662.1163 290974.3259 126193.8222 260158.7602 289773.3676 2502071.199 44461.25132 70578.43994 109477.9516 211008.1906 268437.5798 182671.605 107849.5658 446253.0558 181734.8308 37957.62612 98545.83653 48598.17363 118112.079 794935.9069 354459.5018 360582.8831 67706.61918 227392.5674 250521.3346 209461.1938 416585.2817 111001.6379 1572307.603 185990.6486 161712.2011 866494.7097 Xanthurenic acid 3135556.048 1208426.207 246712.9436 190853.6988 669031.0585 1615740.302 1750431.704 8514857.181 358609.5638 198659.947 295410.0524 2045957.135 276200.7813 1259380.002 542480.2453 107145.7582 576600.3542 294850.7727 53420.64671 163190.2739 12016.09406 633578.3269 168692.9733 1147065.073 390904.6843 1157758.332 659897.8131 1071294.204 339877.4473 1438990.588 549048.777 3576288.372 573549.7725 502332.7614 933761.2802 626613.5727 966914.1565 1368023.704 168199.9488 518953.0054 190538.8784 710786.4997 979488.8106 472065.1401 934431.2343 175490.0619 54936.59286 1518257.937 1512475.4 382053.0152 129344.0244 837443.7805 365264.5849 282445.1846 505768.244 549331.4668 783237.1772 117161.3026 350981.5498 303299.8472 76742.54713 2255958.169 928549.106 2532014.673 419543.3626 125779.4563 1796785.294 540535.9627 643723.9805 612907.3429 1161724.098 1126750.315 283603.1451 281831.8391 865456.3729 1371211.293 457553.5892 468206.2314 590155.3878 2092072.107 157467.4131 612504.1686 544637.2402 551357.6196 2289211.921 3703682.779 2665518.056 3686291.307 442396.4874 153537.9879 1122969.028 2301268.61 4046819.637 499889.104 2368104.991 151857.3876 2625245.945 2387111.851 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Riboflavin 10-Hydroxydecanoate 1-Aminocyclopropanecarboxylate 1-Methyl-L-Histidine 1-Methylnicotinamide 1-Pentofuranosyl-2,4(1H,3H)-pyrimidinedione Aminobutyrate/Aminoisobutyrate_01 Aminobutyrate/Aminoisobutyrate_02 2-Deoxy-D-Glucose 2-Hydroxy-4-(Methylthio)Butanoate 2-Hydroxybutyrate Hydroxypyridine 2-Ketobutyrate 3-(2-Hydroxyphenyl)Propanoate Aminoisobutyrate/Aminoisobutyrate__03 3-Aminophenol/2-aminophenol 3-Aminosalicylic acid/3-hydroxyanthranilate 3-Hydroxybutyrate/3-Hydroxyisobutyrate 3-Methoxy-4-Hydroxymandelate 3-Methyl-2-Oxovalerate/Ketoleucine 4-Acetamidobutanoic acid 4-Coumarate 4-Hydroxyphenylacetate/Mandelate(1) 4-Hydroxyphenyllactic acid 4-Imidazoleacetate 4-Pyridoxate 5-Aminolevulinate/Trans-4-Hydroxy-L-Proline/Cis4-Hydroxy-D-Proline 5-Hydroxy-DL-tryptophan 5-Hydroxyindoleacetate 5-Hydroxylysine 5-Hydroxytryptophan 5-Methylcytosine Acetoacetate Acetyl-L-carnitine Acetyl-L-methionine Adenine Alanine Allantoin Arginine Argininosuccinic acid Asparagine Aspartate Benzoate Betaine Biotin Butyrylcarnitine Caffeine Caprylate Chenodeoxycholate/Deoxycholate Cholate Citrulline Cortisol Creatine Creatinine Cystathionine Cystine Cytosine Decanoate Deoxycarnitine Diethanolamine Dihydroorotate Dihydrouracil Erythritol Formiminoglutamic Acid Gamma-GlutamylThreonine Gluconate Gluconolactone Glutamine Glutarate/Monoethylmalonate Glycerate Glycine Glycocholate Glyoxylate Guanosine Heptanoate Hexanoate/Trans-Cyclohexanediol Hexosamine Hexose Hexose(2) Hexose(4) Hydroxyindole acetic acid Hippurate Histidine Hydroxybenzoate/Salicylate(1) Hydroxyproline Hypoxanthine Indole-3-Acetamide Indole-3-Acetate Inosine Isoleucine Kynurenate Kynurenine Lactate Lauroylcarnitine L-Carnitine L-Cystine Leucine L-Tyrosine Lysine Lyxose/Ribose(2)/Arabinose/Xylose Malate Methionine N,N-dimethylarginine N6,N6,N6,Trimethyl-L-lysine N-Acetylalanine N-Acetylasparagine N-Acetylcysteine N-Acetylgalactosamine/N-Acetylmannosamine/N-Acetylglucosamine N-Acetylglycine N-Acetylmethionine N-Acetylneuraminate N-Acetylphenylalanine N-Acetylputrescine N-Acetyltryptophan N-Alpha-Acetyllysine N-Formylglycine N-Formyl-L-Methionine Niacin Nicotinamide N-Methyl-2-pyridone-5-carboxamide N-Methylaspartate/Glutamate Nonanoate O-Acetylserine/N-Acetylserine Omega-Hydroxydodecanoate/5-hydroxydodecanoic acid/3-hydroxydodecanoic acid Ornithine Orotate Pantothenate Paraxanthine/Theophylline/Theobromine Phenethylamine Phenol Phenylacetate Phenylalanine Phenylpyruvate Phosphorylcholine Pipecolate Proline Propionylcarnitine Pseudouridine Pyroglutamate/Oxoproline Pyrrole-2-Carboxylate Pyruvate Quinate Ribitol/Xylitol/Arabitol Sarcosine Serine Taurine Theophylline/Paraxanthine/Theobromine Threonine/Allothreonine/Homoserine Trigonelline Tryptophan Tyrosine Uracil Ureidopropionate Uridine Urocanate Valine Xanthine Xanthosine Xanthurenic acid METABOLITES_END #END