{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002119","ANALYSIS_ID":"AN003468","VERSION":"1","CREATED_ON":"March 31, 2022, 8:01 am"},

"PROJECT":{"PROJECT_TITLE":"MNK2 deficiency potentiates beta-cell regeneration via hypertranslation","PROJECT_SUMMARY":"Regenerating pancreatic beta-cells is a potential curative approach for diabetes. We previously identified the small molecule CID661578 as a potent inducer of beta-cell regeneration but its target and mechanism of action have remained unknown. We now screened 257 million yeast clones and determined that CID661578 targets MAP kinase-interacting serine/threonine kinase 2 (MNK2), an interaction we genetically validated in vivo. CID661578 increased beta-cell neogenesis from ductal cells in zebrafish, neonatal pig islet aggregates and human pancreatic ductal organoids. Mechanistically, we found that CID661578 boosts protein synthesis and regeneration by blocking MNK2 from binding eIF4G in the translation initiation complex at the mRNA cap. Unexpectedly, this blocking activity augmented eIF4E-phosphorylation depending on MNK1 and bolstered the interaction between eIF4E and eIF4G, which is necessary for both hypertranslation and beta-cell regeneration. Taken together, our findings demonstrate a targetable role of MNK2-controlled translation in beta-cell regeneration, a role that warrants further investigation in diabetes.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"Polk Hall, RM 128","EMAIL":"xliu68@ncsu.edu","PHONE":"9195154387"},

"STUDY":{"STUDY_TITLE":"Metabolomics analysis of zebrafish response to CID661578 treatment","STUDY_SUMMARY":"zebrafish larvae were treated with DMSO or CID661578 for 24 hours prior to global metabolomics analysis (n=6). Metabolites were extracted from pools of 10 zebrafish larvae at 5 dpf using a 80% methanol-based extraction method. Samples were dried in speed vac and stored in -80C freezer until ready for LC-MS analysis.","INSTITUTE":"North Carolina State University","LAST_NAME":"Liu","FIRST_NAME":"Xiaojing","ADDRESS":"Polk Hall, RM 128","EMAIL":"xliu68@ncsu.edu","PHONE":"9195154387"},

"SUBJECT":{"SUBJECT_TYPE":"Fish","SUBJECT_SPECIES":"Danio rerio","TAXONOMY_ID":"7955"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"DMSO1",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO2",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO3",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO4",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO5",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO6",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID1",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID2",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID3",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID4",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID5",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID6",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO1_Pos",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO1_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO2_Pos",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO2_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO3_Pos",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO3_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO4_Pos",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO4_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO5_Pos",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO5_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO6_Pos",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO6_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID1_Pos",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID1_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID2_Pos",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID2_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID3_Pos",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID3_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID4_Pos",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID4_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID5_Pos",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID5_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID6_Pos",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID6_Pos.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO1_Neg",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO1_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO2_Neg",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO2_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO3_Neg",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO3_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO4_Neg",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO4_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO5_Neg",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO5_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"DMSO6_Neg",
"Factors":{"Treatment":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"DMSO6_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID1_Neg",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID1_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID2_Neg",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID2_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID3_Neg",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID3_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID4_Neg",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID4_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID5_Neg",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID5_Neg.raw"}
},
{
"Subject ID":"-",
"Sample ID":"CID6_Neg",
"Factors":{"Treatment":"CID661578"},
"Additional sample data":{"RAW_FILE_NAME":"CID6_Neg.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"zebrafish larvae were treated with DMSO or CID661578 for 24 hours prior to global metabolomics analysis (n=6). Metabolites were extracted from pools of 10 zebrafish larvae at 5 dpf using a 80% methanol/water-based extraction method. Detailed metabolite extraction was described previously using 80% methanol/water as solvent (PMID: 24410464, PMID: 24894601, PMID: 25795660) and dry pellets were stored in -80 °C freezer until ready for LC-MS analysis. Pellets were reconstituted into 30 μL of sample solvent (water:methanol:acetonitrile, 2:1:1, v/v), and 5 μL was injected into the LC-MS.","SAMPLE_TYPE":"new"},

"TREATMENT":{"TREATMENT_SUMMARY":"Chemicals (DMSO orCID661578) were added to the E3 medium for larvae to reach final concentration of 10 uM. Pools of 10 wild-type (WT) larvae at 5 dpf were used for each of the 6 independent biological replicates for DMSO or CID661578 treatment from 4-5 dpf."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Intracellular metabolites were harvested as described previously using 80% methanol/water as solvent (PMID: 24410464, PMID: 24894601, PMID: 25795660) and dry pellets were stored in -80 °C freezer until ready for LC-MS analysis. For metabolite analysis, pellets were reconstituted into 30 μL of sample solvent (water:methanol:acetonitrile, 2:1:1, v/v), and 5 μL was injected into the LC-MS."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HILIC method is for general metabolomics analysis.","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Dionex Ultimate 3000","COLUMN_NAME":"Waters Xbridge amide (100 × 2.1 mm i.d., 3.5 μm)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"It was operated in the full-scan mode (positive/negative switching) with the resolution set at 70 000 (at m/z 200).LC-MS data were analyzed using Sieve 2.0 (Thermo Scientific), and the integrated area under metabolite peak was used to compare the relative abundance of each metabolite in different samples in the same batch."},

"MS_METABOLITE_DATA":{
"Units":"ion counts",

"Data":[{"Metabolite":"oxalate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"Hypotaurine","DMSO1":"761879.631","DMSO2":"2327294.304","DMSO3":"3184240.518","DMSO4":"2475838.044","DMSO5":"2444078.283","DMSO6":"1881496.749","CID1":"4725690.666","CID2":"5685751.566","CID3":"4477629.972","CID4":"5153312.943","CID5":"5510888.379","CID6":"5396613.654"},{"Metabolite":"Taurine","DMSO1":"743383923.9","DMSO2":"886528878.4","DMSO3":"847534604.7","DMSO4":"805760987.1","DMSO5":"834769082.5","DMSO6":"809101836","CID1":"1010428957","CID2":"1017676796","CID3":"872251753.4","CID4":"729989527.2","CID5":"929366811.1","CID6":"943611164.3"},{"Metabolite":"C3H4O2(3)","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"Glycerol 3-phosphate","DMSO1":"37851515.46","DMSO2":"36060163.64","DMSO3":"33907186.82","DMSO4":"36239027.08","DMSO5":"45079268.53","DMSO6":"40007154.68","CID1":"26800478.69","CID2":"33914098.82","CID3":"27055692.31","CID4":"15588866.29","CID5":"40990305.32","CID6":"31225052.54"},{"Metabolite":"O-Phospho-L-serine","DMSO1":"2402060.91","DMSO2":"3539315.634","DMSO3":"2702085.888","DMSO4":"3336374.868","DMSO5":"3635942.217","DMSO6":"3980428.347","CID1":"4479941.397","CID2":"4283416.596","CID3":"4316457.756","CID4":"2266062.864","CID5":"3775321.026","CID6":"3710031.909"},{"Metabolite":"L-erythrulose","DMSO1":"6973812.39","DMSO2":"6081912.981","DMSO3":"6562833.708","DMSO4":"6036172.086","DMSO5":"6248550.72","DMSO6":"6089327.796","CID1":"3752291.076","CID2":"2011018.902","CID3":"1987400.952","CID4":"1168928.667","CID5":"1779280.704","CID6":"1933681.188"},{"Metabolite":"L-threonate","DMSO1":"440530262.2","DMSO2":"525298038.2","DMSO3":"530456514","DMSO4":"495826291.6","DMSO5":"471985219.2","DMSO6":"503347142.9","CID1":"441348842.3","CID2":"549745329.8","CID3":"366825857.1","CID4":"551885892.9","CID5":"431684034.3","CID6":"504659900.3"},{"Metabolite":"allantoate","DMSO1":"6500933.079","DMSO2":"13639464.38","DMSO3":"13703330.72","DMSO4":"6175408.536","DMSO5":"8363096.604","DMSO6":"6323852.088","CID1":"17220034.38","CID2":"7864506.675","CID3":"9326924.721","CID4":"12677504.69","CID5":"8266141.605","CID6":"6256144.74"},{"Metabolite":"D-Erythrose 4-phosphate","DMSO1":"805880.868","DMSO2":"809563.932","DMSO3":"986645.889","DMSO4":"949596.768","DMSO5":"1010784.717","DMSO6":"1011646.644","CID1":"710719.218","CID2":"823575.285","CID3":"743972.889","CID4":"568104.354","CID5":"913675.704","CID6":"936854.571"},{"Metabolite":"N-phosphocreatinate","DMSO1":"214677789.1","DMSO2":"241356957.2","DMSO3":"254012780.3","DMSO4":"314698402","DMSO5":"177706056.9","DMSO6":"77009037.65","CID1":"98263797.91","CID2":"249044435.2","CID3":"130575798.1","CID4":"177398788.6","CID5":"36583973.9","CID6":"32054066.49"},{"Metabolite":"3-methyl-2-oxobutanoate","DMSO1":"19085923.16","DMSO2":"22020163.85","DMSO3":"14518992.48","DMSO4":"16656255.65","DMSO5":"16287869.36","DMSO6":"14189772.46","CID1":"15885982.97","CID2":"15409133.11","CID3":"21877057.97","CID4":"16330267.84","CID5":"16676762.79","CID6":"13742571.39"},{"Metabolite":"beta-hydroxy-beta-methylbutyrate","DMSO1":"27976398.88","DMSO2":"46875382.24","DMSO3":"47059570.87","DMSO4":"32161062.95","DMSO5":"37435326.9","DMSO6":"30177566.33","CID1":"121792813.4","CID2":"123164587.7","CID3":"188392543.2","CID4":"757429581.3","CID5":"116888583.2","CID6":"104708658.3"},{"Metabolite":"Xanthine","DMSO1":"10598299.82","DMSO2":"22525567.45","DMSO3":"16621769.12","DMSO4":"12990568.51","DMSO5":"15245720.12","DMSO6":"14445344.05","CID1":"32511443.68","CID2":"21313207.8","CID3":"27446759.04","CID4":"40365318.67","CID5":"24937271.14","CID6":"22510087.75"},{"Metabolite":"7,9-dihydro-1H-purine-2688(3H)-trione","DMSO1":"400156846","DMSO2":"536930072.3","DMSO3":"432722426.3","DMSO4":"472802758.9","DMSO5":"438713938.6","DMSO6":"436310183.3","CID1":"477918446.6","CID2":"485544758.2","CID3":"460660244","CID4":"415715761.8","CID5":"411984386.3","CID6":"388903118.7"},{"Metabolite":"N-Carbamoyl-L-aspartate","DMSO1":"1000","DMSO2":"1000","DMSO3":"1000","DMSO4":"1000","DMSO5":"1000","DMSO6":"1000","CID1":"1000","CID2":"1000","CID3":"1000","CID4":"1000","CID5":"1000","CID6":"1000"},{"Metabolite":"5-Hydroxyisourate","DMSO1":"60937104.14","DMSO2":"59605634.14","DMSO3":"56253200.92","DMSO4":"64310884.73","DMSO5":"57985403.8","DMSO6":"65353370.96","CID1":"60581219.67","CID2":"57197947.59","CID3":"56213277.78","CID4":"57100482.71","CID5":"58632507.84","CID6":"52236704.77"},{"Metabolite":"5-Phospho-beta-D-ribosylamine","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"(R)-2-hydroxy-4-methylpentanoate","DMSO1":"6464885.262","DMSO2":"8426029.326","DMSO3":"4301010.87","DMSO4":"3830337.84","DMSO5":"3623982.282","DMSO6":"3789514.194","CID1":"5947870.965","CID2":"5562805.257","CID3":"8238937.101","CID4":"18735156.46","CID5":"4931035.497","CID6":"4378998.213"},{"Metabolite":"4-nitrophenolate","DMSO1":"4668426.579","DMSO2":"4618758.711","DMSO3":"4313252.535","DMSO4":"4796153.205","DMSO5":"4212942.339","DMSO6":"4891883.565","CID1":"4807749.78","CID2":"4506479.418","CID3":"5648362.896","CID4":"5748174.372","CID5":"4637004.294","CID6":"5276988.621"},{"Metabolite":"2-methylglutaconic acid","DMSO1":"13591773.83","DMSO2":"11685984.87","DMSO3":"12220802.69","DMSO4":"10961370.54","DMSO5":"11532348.05","DMSO6":"10718479.65","CID1":"9563254.137","CID2":"6977060.727","CID3":"6360630.564","CID4":"4777715.589","CID5":"5668817.838","CID6":"5577231.075"},{"Metabolite":"adipic acid","DMSO1":"6179815.617","DMSO2":"6109907.646","DMSO3":"6585109.335","DMSO4":"6393005.121","DMSO5":"6239905.197","DMSO6":"5709668.556","CID1":"7015280.646","CID2":"6494739.195","CID3":"6807806.451","CID4":"5216835.048","CID5":"5516556.384","CID6":"5687481.621"},{"Metabolite":"lysine","DMSO1":"55171061.35","DMSO2":"83214611.68","DMSO3":"90634748.67","DMSO4":"68262999.95","DMSO5":"73378595.05","DMSO6":"65526432.05","CID1":"76862902.38","CID2":"69140549.09","CID3":"70758408.06","CID4":"152359349.3","CID5":"59438910.03","CID6":"61036900.9"},{"Metabolite":"2-aminomuconate","DMSO1":"5062402.098","DMSO2":"4975814.277","DMSO3":"4530280.62","DMSO4":"5620320.84","DMSO5":"5007928.413","DMSO6":"4822470.228","CID1":"4458204.459","CID2":"4852798.779","CID3":"4962482.667","CID4":"4908352.719","CID5":"4351015.641","CID6":"3968423.433"},{"Metabolite":"2-oxoadipate","DMSO1":"1411313.34","DMSO2":"1784350.542","DMSO3":"1436734.788","DMSO4":"1580826.093","DMSO5":"1512664.692","DMSO6":"1217627.829","CID1":"1672798.914","CID2":"1550464.263","CID3":"1692352.56","CID4":"1352458.185","CID5":"1401282.102","CID6":"1302280.695"},{"Metabolite":"erythro-5-hydroxy-L-lysinium","DMSO1":"676761.915","DMSO2":"981177.981","DMSO3":"826463.88","DMSO4":"932695.485","DMSO5":"924769.953","DMSO6":"825422.037","CID1":"819311.991","CID2":"897829.905","CID3":"679293.216","CID4":"726579.318","CID5":"797455.635","CID6":"807041.793"},{"Metabolite":"arginine","DMSO1":"22040121.47","DMSO2":"41383243.41","DMSO3":"46810640.39","DMSO4":"31415902.64","DMSO5":"30673586.88","DMSO6":"27954673.58","CID1":"33774534.24","CID2":"25866151.87","CID3":"29832529.79","CID4":"140266397.4","CID5":"27024336.07","CID6":"28112776.98"},{"Metabolite":"4-Nitrophenyl sulfate","DMSO1":"208822.404","DMSO2":"222617.931","DMSO3":"257330.1","DMSO4":"290309.304","DMSO5":"192771.231","DMSO6":"173412.975","CID1":"336245.232","CID2":"300344.67","CID3":"245959.74","CID4":"147259.083","CID5":"271861.251","CID6":"263992.947"},{"Metabolite":"L-Fucose 1-phosphate","DMSO1":"292869.03","DMSO2":"391055.703","DMSO3":"321662.91","DMSO4":"249674.316","DMSO5":"341990.457","DMSO6":"327267.207","CID1":"361602.327","CID2":"387680.346","CID3":"433662.762","CID4":"463894.455","CID5":"291255.267","CID6":"293245.179"},{"Metabolite":"D-Glucosamine 6-phosphate","DMSO1":"1484032.047","DMSO2":"2813092.893","DMSO3":"3852135.36","DMSO4":"2607402.594","DMSO5":"2524457.883","DMSO6":"2354028.537","CID1":"3693436.287","CID2":"3993074.247","CID3":"4177325.892","CID4":"5418330.234","CID5":"3972197.946","CID6":"3863936.199"},{"Metabolite":"6-Phosphogluconic acid","DMSO1":"1768596.531","DMSO2":"2133022.263","DMSO3":"2222526.24","DMSO4":"1912396.857","DMSO5":"2288124.432","DMSO6":"3180660.696","CID1":"1924756.191","CID2":"2400944.157","CID3":"2268905.943","CID4":"1283543.634","CID5":"3590830.371","CID6":"3269018.739"},{"Metabolite":"4-hydroxybenzoate/Gentisate aldehyde","DMSO1":"15974968.43","DMSO2":"17033455.39","DMSO3":"15576724.73","DMSO4":"18927868.78","DMSO5":"15808510.12","DMSO6":"15016712.87","CID1":"17638749.05","CID2":"15371569.37","CID3":"20460068.11","CID4":"17769933.27","CID5":"17618721.81","CID6":"17727486.72"},{"Metabolite":"quinolinate","DMSO1":"1913936.871","DMSO2":"1834494.594","DMSO3":"1778766.732","DMSO4":"2198586.087","DMSO5":"1847280.636","DMSO6":"1754662.299","CID1":"1818568.197","CID2":"1859864.622","CID3":"1361030.004","CID4":"3518550.666","CID5":"1554216.474","CID6":"1544089.611"},{"Metabolite":"2-acetamido-5-oxopentanoate","DMSO1":"2211023.166","DMSO2":"1990244.601","DMSO3":"2083954.98","DMSO4":"2415851.07","DMSO5":"2205417.618","DMSO6":"2049197.754","CID1":"1699031.661","CID2":"2208423.663","CID3":"2130596.088","CID4":"2067050.151","CID5":"2043631.617","CID6":"1821638.109"},{"Metabolite":"N-acetyl-L-glutamate","DMSO1":"4185212.715","DMSO2":"4523165.538","DMSO3":"4813249.776","DMSO4":"4025525.52","DMSO5":"4378867.557","DMSO6":"3569415.207","CID1":"4516572.654","CID2":"3763514.985","CID3":"3627866.334","CID4":"3866343.771","CID5":"3203244.414","CID6":"3054573.588"},{"Metabolite":"L-cystathionine","DMSO1":"4014591.336","DMSO2":"9440748.639","DMSO3":"13598295.17","DMSO4":"7376583.528","DMSO5":"8940666.441","DMSO6":"6456666.099","CID1":"13541070.05","CID2":"10301298.2","CID3":"9497167.068","CID4":"20977379.29","CID5":"8423286.711","CID6":"8891313.963"},{"Metabolite":"N1-(5-Phospho-D-ribosyl)glycinamide","DMSO1":"469249.842","DMSO2":"3075007.308","DMSO3":"3845650.737","DMSO4":"862857.264","DMSO5":"2046603.537","DMSO6":"1059498.945","CID1":"2722542.54","CID2":"1950218.331","CID3":"3047108.073","CID4":"639671.682","CID5":"1650600.24","CID6":"2107080.876"},{"Metabolite":"Sedoheptulose 7-phosphate","DMSO1":"12150635.11","DMSO2":"14096864.79","DMSO3":"14324004.58","DMSO4":"14880895.73","DMSO5":"15386812.71","DMSO6":"13287646.41","CID1":"10017924.08","CID2":"14708573.21","CID3":"13935833.99","CID4":"10974080.37","CID5":"11809325.27","CID6":"10140138.18"},{"Metabolite":"sedoheptulose 1,7-bisphosphate","DMSO1":"414537.447","DMSO2":"81795.906","DMSO3":"461671.893","DMSO4":"91518.135","DMSO5":"821340.159","DMSO6":"620236.029","CID1":"150637.299","CID2":"121701.693","CID3":"91377.435","CID4":"97910.43","CID5":"532047.204","CID6":"687762.834"},{"Metabolite":"fructoseglycine","DMSO1":"5459904.534","DMSO2":"3922554.465","DMSO3":"3124870.542","DMSO4":"2703874.545","DMSO5":"1754770.962","DMSO6":"1914800.334","CID1":"1191368.271","CID2":"631029.687","CID3":"751238.901","CID4":"151687.152","CID5":"179477.25","CID6":"107499.069"},{"Metabolite":"Sulfate derivative of norepinephrine","DMSO1":"1000","DMSO2":"1000","DMSO3":"116294.199","DMSO4":"21414.444","DMSO5":"1000","DMSO6":"1000","CID1":"1000","CID2":"33027.087","CID3":"1000","CID4":"1000","CID5":"1000","CID6":"1000"},{"Metabolite":"N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide","DMSO1":"102235.308","DMSO2":"456606.138","DMSO3":"513376.053","DMSO4":"153016.311","DMSO5":"269799.144","DMSO6":"206573.046","CID1":"214527.837","CID2":"149098.137","CID3":"232732.812","CID4":"46774.728","CID5":"192779.58","CID6":"188280.852"},{"Metabolite":"nonanoate","DMSO1":"57359703.94","DMSO2":"67393148.28","DMSO3":"54333333.84","DMSO4":"65461340.96","DMSO5":"57895112.05","DMSO6":"60671653.12","CID1":"64720222.21","CID2":"54835356.7","CID3":"71859272.61","CID4":"66692611.37","CID5":"57661023.86","CID6":"64705502.47"},{"Metabolite":"4-hydroperoxy-2-nonenal","DMSO1":"14371321.62","DMSO2":"17126908.7","DMSO3":"12835835.63","DMSO4":"10937879.3","DMSO5":"11745345.35","DMSO6":"11598904.57","CID1":"12426788.86","CID2":"11264147.43","CID3":"18346219.51","CID4":"12997787.7","CID5":"11342591.24","CID6":"10106666.15"},{"Metabolite":"Azelaic acid","DMSO1":"11020670.8","DMSO2":"18820609.12","DMSO3":"11229705.94","DMSO4":"11397250.01","DMSO5":"11929477.34","DMSO6":"9469115.322","CID1":"9869281.311","CID2":"10049498.78","CID3":"16706097.45","CID4":"8842000.224","CID5":"10447748.62","CID6":"8852447.133"},{"Metabolite":"(R)-Pantothenate","DMSO1":"39042724.71","DMSO2":"45573621.89","DMSO3":"33199609.36","DMSO4":"54679126.54","DMSO5":"45281086.25","DMSO6":"43647832.7","CID1":"24268482.74","CID2":"22076870.58","CID3":"16640903.11","CID4":"9353461.053","CID5":"19976650.5","CID6":"14855664.62"},{"Metabolite":"carnosine","DMSO1":"83628.312","DMSO2":"295253.985","DMSO3":"354720.039","DMSO4":"88284.327","DMSO5":"123497.055","DMSO6":"121488.552","CID1":"410676.129","CID2":"326889.192","CID3":"313353.294","CID4":"241871.508","CID5":"323469.177","CID6":"335385.087"},{"Metabolite":"gama-L-glutamyl-L-alpha-aminobutyrate","DMSO1":"2686483.611","DMSO2":"6583222.722","DMSO3":"8169330.027","DMSO4":"2911388.769","DMSO5":"4447702.479","DMSO6":"2869704.33","CID1":"8367742.185","CID2":"7059689.388","CID3":"7740706.797","CID4":"5187930.867","CID5":"4419735.468","CID6":"5823429.666"},{"Metabolite":"Galactosylglycerol","DMSO1":"225758.916","DMSO2":"142765.305","DMSO3":"65451.144","DMSO4":"51947.211","DMSO5":"74507.256","DMSO6":"112345.137","CID1":"74403.18","CID2":"1000","CID3":"69736.203","CID4":"61877.862","CID5":"78699.324","CID6":"59508.492"},{"Metabolite":"S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine","DMSO1":"76368.462","DMSO2":"20720.466","DMSO3":"71556.705","DMSO4":"42844.488","DMSO5":"99874.203","DMSO6":"96315.45","CID1":"318584.85","CID2":"124854.306","CID3":"78385.881","CID4":"180549.999","CID5":"106547.712","CID6":"82663.539"},{"Metabolite":"N-acetyl-seryl-aspartate","DMSO1":"4617434.01","DMSO2":"7173204.828","DMSO3":"7955127.174","DMSO4":"5692530.738","DMSO5":"6278963.328","DMSO6":"5158172.79","CID1":"7724979.51","CID2":"7544770.881","CID3":"8380549.362","CID4":"7091892.411","CID5":"5754924.111","CID6":"6369899.304"},{"Metabolite":"3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid","DMSO1":"9338489.298","DMSO2":"12582248.57","DMSO3":"9927133.56","DMSO4":"11854636.3","DMSO5":"11722414.78","DMSO6":"10272536.68","CID1":"8558353.779","CID2":"10977023.71","CID3":"8094221.973","CID4":"7205390.439","CID5":"10354768.88","CID6":"8450914.671"},{"Metabolite":"2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate","DMSO1":"34683.12","DMSO2":"1000","DMSO3":"106301.952","DMSO4":"157929.882","DMSO5":"1000","DMSO6":"1000","CID1":"64390.8","CID2":"1000","CID3":"48456.603","CID4":"1000","CID5":"1000","CID6":"1000"},{"Metabolite":"Perillic acid","DMSO1":"388139.592","DMSO2":"431979","DMSO3":"329525.994","DMSO4":"250126.227","DMSO5":"222679.152","DMSO6":"283260.906","CID1":"245613.663","CID2":"238643.04","CID3":"593490.159","CID4":"194891.307","CID5":"334007.268","CID6":"281106.015"},{"Metabolite":"trans-4,5-epoxy-2(E)-decenal","DMSO1":"619794.561","DMSO2":"675410.778","DMSO3":"537181.731","DMSO4":"609817.371","DMSO5":"587132.154","DMSO6":"536732.61","CID1":"678754.317","CID2":"440548.431","CID3":"821071.716","CID4":"578203.992","CID5":"567355.938","CID6":"454713.459"},{"Metabolite":"caprate","DMSO1":"29930535.23","DMSO2":"31202957","DMSO3":"27766590.68","DMSO4":"33174934.23","DMSO5":"27839383.13","DMSO6":"27593089.58","CID1":"32494502.51","CID2":"28530645.81","CID3":"37979334.43","CID4":"31768997.82","CID5":"30016579.89","CID6":"30857179.65"},{"Metabolite":"kynurenate","DMSO1":"43634.283","DMSO2":"92684.919","DMSO3":"94515.819","DMSO4":"82816.395","DMSO5":"90610.623","DMSO6":"73049.067","CID1":"49297.833","CID2":"55397.424","CID3":"105269.928","CID4":"223270.263","CID5":"61781.943","CID6":"41945.931"},{"Metabolite":"N(omega)-(L-Arginino)succinate","DMSO1":"1462946.796","DMSO2":"1366406.97","DMSO3":"1573378.179","DMSO4":"1467873.483","DMSO5":"1527888.489","DMSO6":"1318232.259","CID1":"1427885.229","CID2":"1459422.387","CID3":"1841644.533","CID4":"6181015.317","CID5":"1351644.801","CID6":"1377741.774"},{"Metabolite":"dIMP","DMSO1":"69571.236","DMSO2":"93850.728","DMSO3":"96202.32","DMSO4":"129531.018","DMSO5":"48588.51","DMSO6":"63600.258","CID1":"95882.436","CID2":"71049.195","CID3":"235380.402","CID4":"21294.399","CID5":"96537.147","CID6":"44682.414"},{"Metabolite":"L-tryptophan","DMSO1":"343610370","DMSO2":"466898199.2","DMSO3":"496798523.6","DMSO4":"391417436.9","DMSO5":"387185957.5","DMSO6":"349588428.7","CID1":"1146398374","CID2":"1000746914","CID3":"1023216337","CID4":"1071896163","CID5":"911965936","CID6":"944622574.6"},{"Metabolite":"laurate","DMSO1":"24193087.85","DMSO2":"24631422.91","DMSO3":"23183099.49","DMSO4":"22290691.62","DMSO5":"20466813.45","DMSO6":"18424385.16","CID1":"23270810.61","CID2":"19807836.55","CID3":"36945717.7","CID4":"24263854.23","CID5":"21965446.23","CID6":"20992154.29"},{"Metabolite":"omega hydroxy dodecanoate (n-C12:0)","DMSO1":"1216762.227","DMSO2":"951030.123","DMSO3":"1009615.836","DMSO4":"868786.005","DMSO5":"1025945.79","DMSO6":"945742.938","CID1":"1338069.588","CID2":"932090.844","CID3":"1917029.136","CID4":"1112776.842","CID5":"929075.673","CID6":"822062.589"},{"Metabolite":"Dodecanedioic acid","DMSO1":"2168713.893","DMSO2":"1963851.477","DMSO3":"1658785.113","DMSO4":"1562531.346","DMSO5":"1613924.448","DMSO6":"2058002.466","CID1":"2257254.006","CID2":"1614903.432","CID3":"2589087.174","CID4":"1733138.04","CID5":"1728812.664","CID6":"1680162.279"},{"Metabolite":"fructosyllysine","DMSO1":"825586.281","DMSO2":"1182807.528","DMSO3":"1091301.588","DMSO4":"731611.368","DMSO5":"810044.844","DMSO6":"711858.372","CID1":"1096868.58","CID2":"839297.016","CID3":"748374.507","CID4":"1280373.462","CID5":"643961.871","CID6":"621893.274"},{"Metabolite":"tetradecenoate (n-C14:1)","DMSO1":"1326769.95","DMSO2":"1058575.809","DMSO3":"969160.899","DMSO4":"908791.248","DMSO5":"766597.827","DMSO6":"617447.775","CID1":"713851.617","CID2":"729501.093","CID3":"1034783.055","CID4":"908560.788","CID5":"706778.085","CID6":"728462.808"},{"Metabolite":"myristate","DMSO1":"51933277.63","DMSO2":"45664762.49","DMSO3":"49707485.45","DMSO4":"40833864.44","DMSO5":"46249067.58","DMSO6":"35874964.45","CID1":"42013259.39","CID2":"34935616.55","CID3":"70537628.72","CID4":"45782368.77","CID5":"36102902.92","CID6":"39055687.75"},{"Metabolite":"6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate","DMSO1":"47964.459","DMSO2":"83820.519","DMSO3":"72411.639","DMSO4":"56937.735","DMSO5":"37723.827","DMSO6":"138740.433","CID1":"83901.456","CID2":"103055.238","CID3":"153577.473","CID4":"114872.577","CID5":"48333.345","CID6":"57330.399"},{"Metabolite":"omega hydroxy tetradecanoate (n-C14:0)","DMSO1":"1168265.715","DMSO2":"569556.525","DMSO3":"840317.802","DMSO4":"871250.217","DMSO5":"971819.475","DMSO6":"1010011.176","CID1":"1477726.455","CID2":"646555.956","CID3":"2069095.182","CID4":"1336308.024","CID5":"652543.137","CID6":"720737.451"},{"Metabolite":"3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dihydroxy-tetradec-8Z-enoate","DMSO1":"960161.259","DMSO2":"607324.557","DMSO3":"706906.767","DMSO4":"727119.282","DMSO5":"857897.718","DMSO6":"940366.782","CID1":"1247418.117","CID2":"678664.284","CID3":"1303589.346","CID4":"957646.956","CID5":"687015.837","CID6":"794426.1"},{"Metabolite":"pentadecanoate","DMSO1":"23783902.37","DMSO2":"18607122.46","DMSO3":"19834724.52","DMSO4":"18706625.57","DMSO5":"19005494.34","DMSO6":"16382179.8","CID1":"19396263.19","CID2":"16857509.12","CID3":"25782934.18","CID4":"18787804.86","CID5":"15783530.16","CID6":"16534678.3"},{"Metabolite":"palmitoleate","DMSO1":"38091672.91","DMSO2":"23186804.69","DMSO3":"21169749.69","DMSO4":"18073419.31","DMSO5":"18857809.49","DMSO6":"16643491.12","CID1":"22266249.03","CID2":"25400876.35","CID3":"22667269.19","CID4":"16364722.34","CID5":"18836179.02","CID6":"17354856.66"},{"Metabolite":"palmitate","DMSO1":"1089761902","DMSO2":"1153550004","DMSO3":"1016716453","DMSO4":"862965931.2","DMSO5":"1146680940","DMSO6":"950762874.3","CID1":"847134469.1","CID2":"748278021.2","CID3":"1179893608","CID4":"988026298","CID5":"884608393.4","CID6":"1012239022"},{"Metabolite":"omega hydroxy hexadecanoate (n-C16:0)","DMSO1":"9005177.127","DMSO2":"4976950.086","DMSO3":"7728111.009","DMSO4":"7232233.077","DMSO5":"8133293.967","DMSO6":"7167157.716","CID1":"10229483.24","CID2":"6304718.937","CID3":"13543058.46","CID4":"11776183.81","CID5":"5539172.787","CID6":"6019503.798"},{"Metabolite":"11'-Carboxy-alpha-chromanol","DMSO1":"1691603.184","DMSO2":"1303660.707","DMSO3":"1203144.567","DMSO4":"1007888.367","DMSO5":"1068150.138","DMSO6":"1147563.546","CID1":"1794986.922","CID2":"919962.633","CID3":"2713057.41","CID4":"935530.407","CID5":"1071798.309","CID6":"956251.542"},{"Metabolite":"Hexadecanedioic acid","DMSO1":"4237081.497","DMSO2":"1983742.554","DMSO3":"3167072.418","DMSO4":"2930080.929","DMSO5":"3950065.572","DMSO6":"4169664.906","CID1":"6264996.771","CID2":"2041682.559","CID3":"6734400.192","CID4":"4718447.343","CID5":"2399404.593","CID6":"2832277.137"},{"Metabolite":"margarate","DMSO1":"19133188.37","DMSO2":"19492062.75","DMSO3":"18987127.67","DMSO4":"14182084.14","DMSO5":"16601367.21","DMSO6":"16584010.35","CID1":"18494255.39","CID2":"17260731.36","CID3":"17458774.34","CID4":"16392051.93","CID5":"15726052.49","CID6":"16238489.98"},{"Metabolite":"stearate","DMSO1":"357280637.7","DMSO2":"409664229.1","DMSO3":"360797057.7","DMSO4":"291537542.1","DMSO5":"446670887.4","DMSO6":"395403552","CID1":"260792486.1","CID2":"241547238.8","CID3":"385073328.7","CID4":"337540598.1","CID5":"315307039.8","CID6":"345346716.4"},{"Metabolite":"12,13-epoxy-9-hydroperoxy-10E-octadecenoate","DMSO1":"7153.344","DMSO2":"47041.737","DMSO3":"10387.32","DMSO4":"4646.592","DMSO5":"5976.48","DMSO6":"28446.54","CID1":"56552.076","CID2":"1000","CID3":"54377.046","CID4":"53087.958","CID5":"3563.634","CID6":"16254.723"},{"Metabolite":"estrone 3-sulfate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"8,11,14-Eicosatrienoic acid (DGLA)","DMSO1":"7241969.565","DMSO2":"5686771.446","DMSO3":"6281663.436","DMSO4":"4633669.758","DMSO5":"5372490.189","DMSO6":"5393991.306","CID1":"6780699.903","CID2":"7554290.202","CID3":"6083913.828","CID4":"4592382.369","CID5":"6003151.332","CID6":"5987089.041"},{"Metabolite":"Eicosenoic acid","DMSO1":"6260595.237","DMSO2":"5896207.731","DMSO3":"6292481.046","DMSO4":"4114862.973","DMSO5":"5437566.249","DMSO6":"5525223.711","CID1":"6217346.433","CID2":"6301322.811","CID3":"5676033.561","CID4":"4649424.06","CID5":"5545858.002","CID6":"5021484.882"},{"Metabolite":"15(S)-Hydroxyeicosatrienoic acid","DMSO1":"1454953.401","DMSO2":"1302936.39","DMSO3":"923784.855","DMSO4":"969255.003","DMSO5":"1021153.923","DMSO6":"994562.361","CID1":"1119265.248","CID2":"1036641.312","CID3":"581750.118","CID4":"846227.736","CID5":"985045.092","CID6":"649217.214"},{"Metabolite":"N-Acetylneuraminate 9-phosphate","DMSO1":"103259.655","DMSO2":"62307.861","DMSO3":"150003.225","DMSO4":"70544.295","DMSO5":"190778.427","DMSO6":"94273.206","CID1":"79346.844","CID2":"61151.007","CID3":"49779.573","CID4":"1000","CID5":"43397.289","CID6":"79802.727"},{"Metabolite":"fructoselysine 3-phosphate","DMSO1":"17720.598","DMSO2":"26539.314","DMSO3":"75886.38","DMSO4":"105257.769","DMSO5":"46419.372","DMSO6":"10662.561","CID1":"80072.727","CID2":"54196.959","CID3":"72916.17","CID4":"69409.809","CID5":"63176.187","CID6":"47454.183"},{"Metabolite":"(R)-S-lactoylglutathionate","DMSO1":"1000","DMSO2":"18069.798","DMSO3":"54763.698","DMSO4":"1000","DMSO5":"41133.822","DMSO6":"16506.174","CID1":"15936.06","CID2":"8079.6","CID3":"13218.984","CID4":"41501.1","CID5":"1000","CID6":"49313.856"},{"Metabolite":"UDP-alpha-D-xylose","DMSO1":"173021.391","DMSO2":"228168.477","DMSO3":"164201.598","DMSO4":"225807.012","DMSO5":"218755.476","DMSO6":"155348.598","CID1":"173269.71","CID2":"159072.453","CID3":"160046.772","CID4":"254205.879","CID5":"183987.522","CID6":"160693.881"},{"Metabolite":"UDP-D-glucuronate","DMSO1":"4804108.407","DMSO2":"4743459.918","DMSO3":"5312402.556","DMSO4":"5322287.502","DMSO5":"6367786.626","DMSO6":"5986060.065","CID1":"6288833.835","CID2":"9448446.228","CID3":"8596127.73","CID4":"5446157.223","CID5":"9317427.948","CID6":"6922257.627"},{"Metabolite":"GDP-D-mannose","DMSO1":"1938844.902","DMSO2":"2045719.419","DMSO3":"1788996.885","DMSO4":"2010024.912","DMSO5":"2208076.011","DMSO6":"2183154.138","CID1":"1940860.995","CID2":"2543322.408","CID3":"2406746.883","CID4":"1957987.638","CID5":"2164230.18","CID6":"1896675.087"},{"Metabolite":"2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-hydroxyamino-3-8-dimethylimidazo[4-5-f]quinoxaline","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"docosanedioicacid","DMSO1":"32813.631","DMSO2":"32453.712","DMSO3":"26016.048","DMSO4":"26748.789","DMSO5":"36713.535","DMSO6":"92136.756","CID1":"76911.612","CID2":"26252.343","CID3":"53983.533","CID4":"17979.504","CID5":"21783.87","CID6":"87573.663"},{"Metabolite":"lithocholate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"glycolithocholate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"glycochenodeoxycholate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"taurolithocholate","DMSO1":"1000","DMSO2":"1000","DMSO3":"1000","DMSO4":"1000","DMSO5":"1000","DMSO6":"1000","CID1":"1000","CID2":"1000","CID3":"1000","CID4":"1000","CID5":"32007.798","CID6":"1000"},{"Metabolite":"sulfoglycolithocholate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"cholesterol sulfate","DMSO1":"220781.736","DMSO2":"92910.414","DMSO3":"83915.802","DMSO4":"101949.576","DMSO5":"219198.933","DMSO6":"212745.12","CID1":"221216.04","CID2":"394070.949","CID3":"399995.733","CID4":"111169.62","CID5":"298883.01","CID6":"159193.395"},{"Metabolite":"13-carboxy-alpha-tocopherol","DMSO1":"39342.654","DMSO2":"1000","DMSO3":"1000","DMSO4":"10008.756","DMSO5":"9164.607","DMSO6":"6629.331","CID1":"1000","CID2":"1000","CID3":"1000","CID4":"1000","CID5":"1000","CID6":"1000"},{"Metabolite":"3-oxopropanoate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"Malonate/3-hydroxypyruvate","DMSO1":"4969248.276","DMSO2":"5927992.296","DMSO3":"5235027.273","DMSO4":"5587400.673","DMSO5":"4963294.587","DMSO6":"5613718.5","CID1":"9251364.747","CID2":"5270360.673","CID3":"10482687.85","CID4":"8081047.98","CID5":"6704047.938","CID6":"5738653.161"},{"Metabolite":"D-glycerate","DMSO1":"27664228.39","DMSO2":"32297141.5","DMSO3":"28797100.66","DMSO4":"27155486.85","DMSO5":"26342827.59","DMSO6":"25610930.6","CID1":"35602204.56","CID2":"30453170.28","CID3":"40773600.41","CID4":"46005302.56","CID5":"27922726.71","CID6":"26362761.47"},{"Metabolite":"1,3-diphosphoglycerate /2,3-diphosphoglycerate /(1,3BPG or2,3BPG)","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"C4H6O3(3)","DMSO1":"20887894.7","DMSO2":"17174062.12","DMSO3":"14892155.19","DMSO4":"12823517.44","DMSO5":"12145994.31","DMSO6":"11322575.64","CID1":"16332566.66","CID2":"10724324.97","CID3":"8586822.798","CID4":"6859838.679","CID5":"6316810.059","CID6":"6071588.448"},{"Metabolite":"C4H8O3(3)","DMSO1":"35357164.88","DMSO2":"55425700.07","DMSO3":"66024461.85","DMSO4":"41272043.41","DMSO5":"40631476.07","DMSO6":"46455716.2","CID1":"101125899.1","CID2":"72417193.12","CID3":"98812555.22","CID4":"78212697.26","CID5":"65046777.3","CID6":"72318412.65"},{"Metabolite":"5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate","DMSO1":"33807089.99","DMSO2":"43457210.36","DMSO3":"33464489.55","DMSO4":"39661096.7","DMSO5":"36517135.58","DMSO6":"39615811.4","CID1":"29443148.95","CID2":"29296715.75","CID3":"27321797.58","CID4":"31618305.35","CID5":"27850722.97","CID6":"28512766.37"},{"Metabolite":"itaconate/Mesaconate","DMSO1":"15136768.07","DMSO2":"17539019.33","DMSO3":"18492746.56","DMSO4":"16159122.55","DMSO5":"15882925.4","DMSO6":"14279565.8","CID1":"19029537.59","CID2":"17282328.04","CID3":"16908789.38","CID4":"14897062.4","CID5":"13160368.98","CID6":"14130515.17"},{"Metabolite":"L-4-hydroxyglutamate semialdehyde","DMSO1":"795911628.6","DMSO2":"904969401.9","DMSO3":"838166181.1","DMSO4":"879055216.3","DMSO5":"903180195.3","DMSO6":"864995127.9","CID1":"609792992.1","CID2":"674259535.1","CID3":"576768213.4","CID4":"318345626.4","CID5":"593185704.8","CID6":"513855410.6"},{"Metabolite":"C5H10O5(6)","DMSO1":"2215572.792","DMSO2":"1848737.535","DMSO3":"1967521.032","DMSO4":"1788707.808","DMSO5":"1883369.433","DMSO6":"1790386.212","CID1":"1114374.99","CID2":"669982.749","CID3":"756913.173","CID4":"485929.653","CID5":"702056.844","CID6":"689411.256"},{"Metabolite":"L-arabinitol/xylitol/D-ribitol","DMSO1":"3139917.903","DMSO2":"4593532.239","DMSO3":"4456638.888","DMSO4":"4188627.648","DMSO5":"3538677.486","DMSO6":"3697399.698","CID1":"7293277.716","CID2":"7509707.964","CID3":"8185839.87","CID4":"10969158.45","CID5":"8237323.14","CID6":"7708232.079"},{"Metabolite":"L-xylonate/L-lyxonate","DMSO1":"17120316.5","DMSO2":"23484908.95","DMSO3":"21413491.5","DMSO4":"24449020.26","DMSO5":"23052366.39","DMSO6":"20088695.74","CID1":"20682145.31","CID2":"19541615.56","CID3":"17643790.25","CID4":"18334842.77","CID5":"13279833.39","CID6":"13199047.55"},{"Metabolite":"2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-phosphate","DMSO1":"55713.555","DMSO2":"50259.3","DMSO3":"60382.164","DMSO4":"49491.621","DMSO5":"52502.553","DMSO6":"66379.848","CID1":"77858.325","CID2":"76080.213","CID3":"78562.932","CID4":"98431.644","CID5":"73194.399","CID6":"59684.589"},{"Metabolite":"ribose-phosphate","DMSO1":"1917827.958","DMSO2":"2825444.097","DMSO3":"3198317.52","DMSO4":"2442091.161","DMSO5":"2560156.458","DMSO6":"2949311.184","CID1":"3452930.727","CID2":"3208458.582","CID3":"3617658.423","CID4":"3462106.758","CID5":"3920467.692","CID6":"3813963.543"},{"Metabolite":"3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine)","DMSO1":"17488814.44","DMSO2":"25545010.74","DMSO3":"32407650.67","DMSO4":"21333599.32","DMSO5":"18774086.68","DMSO6":"19741600.01","CID1":"37682480.91","CID2":"30729588.17","CID3":"45513679.28","CID4":"200674882.2","CID5":"27389007.49","CID6":"34173446.77"},{"Metabolite":"N-Formimidoyl-L-glutamate","DMSO1":"2798203.836","DMSO2":"4183802.379","DMSO3":"3214468.029","DMSO4":"3234878.979","DMSO5":"3233360.646","DMSO6":"3047615.562","CID1":"2782624.377","CID2":"2842296.621","CID3":"2791011.483","CID4":"5043064.038","CID5":"2161474.953","CID6":"2248801.212"},{"Metabolite":"N-acetyl-L-aspartate/2-Amino-3-oxoadipate","DMSO1":"924250927.1","DMSO2":"901512777","DMSO3":"801283529.1","DMSO4":"972088875.4","DMSO5":"910306188.8","DMSO6":"866151164.4","CID1":"845683843.8","CID2":"873100222.7","CID3":"886648548.7","CID4":"888575150.3","CID5":"780747536.7","CID6":"709000594.3"},{"Metabolite":"C6H12O6(5)","DMSO1":"33133697.9","DMSO2":"26400967.38","DMSO3":"24853766.92","DMSO4":"34229936.56","DMSO5":"33626942.84","DMSO6":"31782389.36","CID1":"28481254.93","CID2":"30897755.63","CID3":"28691876.95","CID4":"23492534.26","CID5":"30141690.15","CID6":"26165636.29"},{"Metabolite":"L-Iditol/D-glucitol/galactitol","DMSO1":"1549.218","DMSO2":"1000","DMSO3":"1000","DMSO4":"22040.526","DMSO5":"8636.04","DMSO6":"10163.043","CID1":"1000","CID2":"1394.91","CID3":"1000","CID4":"1000","CID5":"1000","CID6":"1000"},{"Metabolite":"3-dehydro-L-gulonate/D-glucuronate/L-iduronate","DMSO1":"19463022.72","DMSO2":"17522534.31","DMSO3":"15584130.03","DMSO4":"17418658.76","DMSO5":"16363672.29","DMSO6":"21307849.71","CID1":"15322086.24","CID2":"14185193.19","CID3":"12971707.36","CID4":"15425247.2","CID5":"14749409.27","CID6":"14419855.32"},{"Metabolite":"gulonate","DMSO1":"5050913.235","DMSO2":"5312075.496","DMSO3":"6552403.863","DMSO4":"4527248.037","DMSO5":"5571793.695","DMSO6":"4951055.019","CID1":"12110437.78","CID2":"9811169.625","CID3":"8976669.438","CID4":"10581149.44","CID5":"9301061.241","CID6":"9633348.054"},{"Metabolite":"5-Methylthio-5-deoxy-D-ribulose 1-phosphate/5-Methylthio-5-deoxy-D-ribose 1-phosphate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"Methylisocitric acid/2-methylcitrate","DMSO1":"9282799.752","DMSO2":"9866442.531","DMSO3":"10217847.88","DMSO4":"10662388.45","DMSO5":"10521233.94","DMSO6":"9409083.06","CID1":"28095310.68","CID2":"35745469.55","CID3":"34979652.76","CID4":"51518545.8","CID5":"33852193.63","CID6":"30637848.67"},{"Metabolite":"phenylacetate/(4-hydroxyphenyl)acetaldehyde","DMSO1":"5193400.512","DMSO2":"4760851.947","DMSO3":"3858721.347","DMSO4":"3143186.781","DMSO5":"3223257.96","DMSO6":"3530135.988","CID1":"4999180.374","CID2":"3994683.453","CID3":"7657758.924","CID4":"4364113.02","CID5":"3795045.576","CID6":"3839921.04"},{"Metabolite":"4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde","DMSO1":"4820726.838","DMSO2":"9004284.309","DMSO3":"4250305.227","DMSO4":"4632735.831","DMSO5":"4147653.477","DMSO6":"4866618.492","CID1":"5716685.664","CID2":"4478032.968","CID3":"5361103.686","CID4":"5795575.068","CID5":"4382773.632","CID6":"4552757.688"},{"Metabolite":"N-formylanthranilate/noradrenochrome","DMSO1":"3362844.249","DMSO2":"5284192.626","DMSO3":"5602840.857","DMSO4":"3996616.644","DMSO5":"4782040.956","DMSO6":"4787933.121","CID1":"2837255.664","CID2":"2230174.014","CID3":"2405746.716","CID4":"2476491.06","CID5":"3457911.375","CID6":"2494687.881"},{"Metabolite":"4-hydroxy-2-nonenal/3,4-epoxynonanal","DMSO1":"1888247.895","DMSO2":"3134543.709","DMSO3":"1221631.644","DMSO4":"1496591.931","DMSO5":"1541614.536","DMSO6":"1440549.831","CID1":"1435680.945","CID2":"1387975.032","CID3":"1894118.232","CID4":"1531600.986","CID5":"1468689.759","CID6":"1507378.413"},{"Metabolite":"adrenochrome/N-benzoylglycinate","DMSO1":"218210886.4","DMSO2":"177933556.9","DMSO3":"234281488.9","DMSO4":"192546163.6","DMSO5":"248907029.8","DMSO6":"200048114.8","CID1":"89301102.93","CID2":"46500226.67","CID3":"48981278.04","CID4":"51486394.06","CID5":"40695753.98","CID6":"59500730.64"},{"Metabolite":"4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate","DMSO1":"3864103.5","DMSO2":"4456556.691","DMSO3":"4703869.791","DMSO4":"3665203.023","DMSO5":"3956853.33","DMSO6":"4094636.349","CID1":"5519956.035","CID2":"3612411.09","CID3":"7940517.366","CID4":"4856558.334","CID5":"3675906.813","CID6":"3358867.641"},{"Metabolite":"C14H24O3(4)","DMSO1":"311514.258","DMSO2":"208640.97","DMSO3":"203498.496","DMSO4":"236933.76","DMSO5":"80006.25","DMSO6":"143689.794","CID1":"205714.572","CID2":"173064.531","CID3":"271283.157","CID4":"161707.008","CID5":"183008.238","CID6":"202272.546"},{"Metabolite":"3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate/3-oxo-6(S)-hydroxy-tetradec-8Z-enoate","DMSO1":"696908.037","DMSO2":"703904.934","DMSO3":"660501.135","DMSO4":"638601.405","DMSO5":"551026.74","DMSO6":"516439.686","CID1":"1010796.06","CID2":"476215.881","CID3":"874363.005","CID4":"681487.341","CID5":"589250.481","CID6":"639799.896"},{"Metabolite":"8(R)-hydroxy-hexadeca-2E4E6E10Z-tetraenoate/8(S)-hydroxy-hexadeca-2E4E6E10Z-tetraenoate","DMSO1":"526109.883","DMSO2":"522199.026","DMSO3":"297190.749","DMSO4":"203589.735","DMSO5":"275692.218","DMSO6":"267202.71","CID1":"366930.447","CID2":"298559.82","CID3":"931199.982","CID4":"249930.81","CID5":"304032.765","CID6":"191639.619"},{"Metabolite":"C16H26O3(4)","DMSO1":"472578.57","DMSO2":"444483.993","DMSO3":"423716.838","DMSO4":"445307.427","DMSO5":"393040.8","DMSO6":"455267.322","CID1":"561632.682","CID2":"483429.762","CID3":"734597.595","CID4":"345691.335","CID5":"374916.756","CID6":"381565.995"},{"Metabolite":"3-oxo-8(R)-hydroxy-hexadeca-6E10Z-dienoate/3-oxo-8(S)-hydroxy-hexadeca-6E10Z-dienoate","DMSO1":"360986.664","DMSO2":"417325.896","DMSO3":"434716.269","DMSO4":"348525.099","DMSO5":"270642.687","DMSO6":"413292.492","CID1":"618024.588","CID2":"336349.389","CID3":"829557.906","CID4":"491425.785","CID5":"480387.315","CID6":"361171.026"},{"Metabolite":"linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2)","DMSO1":"58702375.81","DMSO2":"40159833.54","DMSO3":"42104529.28","DMSO4":"29453927.54","DMSO5":"33846757.6","DMSO6":"28243845.36","CID1":"44557005.92","CID2":"47774742.47","CID3":"40944229.29","CID4":"29981820.27","CID5":"33870414.08","CID6":"34119039.58"},{"Metabolite":"oleic acid/elaidate/trans-vaccenate","DMSO1":"258248312.5","DMSO2":"270112753.4","DMSO3":"231095966.9","DMSO4":"159637419","DMSO5":"208660732.8","DMSO6":"185146667.1","CID1":"228350273.7","CID2":"224378868.6","CID3":"209253449","CID4":"154785669.3","CID5":"191488862.7","CID6":"192022020.5"},{"Metabolite":"9(10)-EpOME/12(13)-EpOME","DMSO1":"915444.267","DMSO2":"5311944.873","DMSO3":"587982.708","DMSO4":"539171.226","DMSO5":"1418530.935","DMSO6":"444973.716","CID1":"685575.747","CID2":"420895.377","CID3":"653844.987","CID4":"586478.049","CID5":"542906.415","CID6":"505029.87"},{"Metabolite":"9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate","DMSO1":"2886980.31","DMSO2":"3998555.403","DMSO3":"1722055.809","DMSO4":"2085287.193","DMSO5":"3011212.593","DMSO6":"2309772.039","CID1":"2734753.848","CID2":"1432856.394","CID3":"2876520.345","CID4":"2606340.153","CID5":"1374634.239","CID6":"2066117.976"},{"Metabolite":"pristanic acid","DMSO1":"1142745.735","DMSO2":"1174327.056","DMSO3":"1106890.191","DMSO4":"814677.282","DMSO5":"1122028.692","DMSO6":"1099372.962","CID1":"1139765.628","CID2":"1218444.99","CID3":"1261513.422","CID4":"1037849.211","CID5":"1122804.123","CID6":"1008366.978"},{"Metabolite":"C20H30O2(4)","DMSO1":"101840371.1","DMSO2":"61850385.12","DMSO3":"61341426.46","DMSO4":"61548735.01","DMSO5":"65565858.69","DMSO6":"68194121.86","CID1":"65311604.43","CID2":"71475510.68","CID3":"65566241.37","CID4":"55229344.93","CID5":"69876637.43","CID6":"60900918.59"},{"Metabolite":"arachidonic acid","DMSO1":"27973414.56","DMSO2":"19176470.55","DMSO3":"19057313.8","DMSO4":"19586199.42","DMSO5":"20727787.29","DMSO6":"20638389.09","CID1":"18860369.13","CID2":"19972821.19","CID3":"17379383.24","CID4":"14813224.52","CID5":"19801114.69","CID6":"17257905.8"},{"Metabolite":"phytanic acid/arachidic acid","DMSO1":"2838204.822","DMSO2":"3211252.032","DMSO3":"2837492.847","DMSO4":"2403471.294","DMSO5":"3233544.201","DMSO6":"2986227.213","CID1":"2689383.639","CID2":"3018224.937","CID3":"4004809.281","CID4":"3042286.269","CID5":"3242162.484","CID6":"2811442.083"},{"Metabolite":"C20H30O3(6)","DMSO1":"332360.484","DMSO2":"541309.503","DMSO3":"260051.172","DMSO4":"445588.104","DMSO5":"352991.355","DMSO6":"442055.685","CID1":"388383.306","CID2":"307237.293","CID3":"450315.117","CID4":"274821.435","CID5":"455516.544","CID6":"283809.477"},{"Metabolite":"C20H32O3(12)","DMSO1":"50139.276","DMSO2":"113718.474","DMSO3":"106418.841","DMSO4":"150247.8","DMSO5":"90351.648","DMSO6":"103619.928","CID1":"128424.696","CID2":"129579.948","CID3":"117047.466","CID4":"191648.898","CID5":"186934.599","CID6":"121768.011"},{"Metabolite":"C20H30O4(18)","DMSO1":"110945.724","DMSO2":"443304.822","DMSO3":"126561.786","DMSO4":"172850.952","DMSO5":"76606.668","DMSO6":"138354.906","CID1":"155742.609","CID2":"190858.323","CID3":"113940.192","CID4":"131277.861","CID5":"188656.185","CID6":"149982.12"},{"Metabolite":"C20H32O4(21)","DMSO1":"245818.476","DMSO2":"313284.357","DMSO3":"495009.321","DMSO4":"444643.56","DMSO5":"457622.298","DMSO6":"221019.003","CID1":"410892.372","CID2":"387194.808","CID3":"163902.462","CID4":"242817.279","CID5":"352839.915","CID6":"296320.308"},{"Metabolite":"C20H34O4(4)","DMSO1":"91272.753","DMSO2":"1000","DMSO3":"1000","DMSO4":"38923.473","DMSO5":"1000","DMSO6":"1000","CID1":"1000","CID2":"1788.6","CID3":"1000","CID4":"1000","CID5":"1000","CID6":"4545.315"},{"Metabolite":"docosahexaenoate(DHA)","DMSO1":"355478321.6","DMSO2":"219927781.1","DMSO3":"257642065.3","DMSO4":"262664574.3","DMSO5":"279173246.6","DMSO6":"271564493.4","CID1":"243112757.7","CID2":"254122353.1","CID3":"232109313.3","CID4":"195465752.1","CID5":"258748313.9","CID6":"218940877.2"},{"Metabolite":"clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid","DMSO1":"25340189.15","DMSO2":"17134703.3","DMSO3":"18677352.18","DMSO4":"17021033.63","DMSO5":"19282088.59","DMSO6":"18492182.33","CID1":"19989774.92","CID2":"21477222.73","CID3":"19438732.07","CID4":"13847672.51","CID5":"19862494.74","CID6":"17709952.3"},{"Metabolite":"UDP-D-glucose/UDP-D-galactose","DMSO1":"27332283.21","DMSO2":"26839529.16","DMSO3":"28425055.92","DMSO4":"30351436.77","DMSO5":"30182987.11","DMSO6":"28393871.18","CID1":"24408223.17","CID2":"31063768.22","CID3":"28967443.78","CID4":"26007109.4","CID5":"26935977.61","CID6":"24959609.06"},{"Metabolite":"ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside","DMSO1":"1807468.281","DMSO2":"1824555.75","DMSO3":"1980365.313","DMSO4":"1669776.294","DMSO5":"1940406.135","DMSO6":"1655335.782","CID1":"1577952.516","CID2":"2053162.554","CID3":"2015585.073","CID4":"1743754.167","CID5":"1800185.142","CID6":"1683392.7"},{"Metabolite":"UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alpha-D-galactosamine","DMSO1":"48940381.79","DMSO2":"47705778.16","DMSO3":"48529175.4","DMSO4":"53557479.18","DMSO5":"51239614.09","DMSO6":"47179079.82","CID1":"43489120.29","CID2":"52407987.29","CID3":"46583873.35","CID4":"59176221.83","CID5":"47298162.59","CID6":"46273228.92"},{"Metabolite":"Taurodeoxycholic acid/taurochenodeoxycholate","DMSO1":"2100902.151","DMSO2":"1525220.802","DMSO3":"1360030.92","DMSO4":"1890960.228","DMSO5":"1492835.958","DMSO6":"1847834.259","CID1":"314747.703","CID2":"405141.393","CID3":"311887.8","CID4":"279241.968","CID5":"471502.392","CID6":"309009.51"},{"Metabolite":"C27H46O4(3)","DMSO1":"1000","DMSO2":"1000","DMSO3":"1000","DMSO4":"17482.608","DMSO5":"1000","DMSO6":"2958.669","CID1":"1000","CID2":"1000","CID3":"1000","CID4":"1000","CID5":"1000","CID6":"86266.635"},{"Metabolite":"3alpha-7alpha-12alpha-Trihydroxy-5beta-cholestanoate/3alpha-7alpha-12alpha-25-tetrahydroxy-5beta-cholestane-24-one","DMSO1":"1000","DMSO2":"8992.32","DMSO3":"1000","DMSO4":"7429.56","DMSO5":"8707.908","DMSO6":"3329.844","CID1":"1000","CID2":"1000","CID3":"1000","CID4":"1000","CID5":"6733.8","CID6":"1000"},{"Metabolite":"Ercalcitriol","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"4alpha-5-epoxy-8alpha-hydroperoxytocopherone/7-8-epoxy-8alpha-hydroperoxytocopherone","DMSO1":"1000","DMSO2":"1000","DMSO3":"1000","DMSO4":"1000","DMSO5":"1000","DMSO6":"1000","CID1":"1000","CID2":"1000","CID3":"1000","CID4":"1000","CID5":"3105.933","CID6":"9111.609"},{"Metabolite":"L-isoleucine/L-leucine","DMSO1":"1917663172","DMSO2":"3061144819","DMSO3":"3470673932","DMSO4":"2485956126","DMSO5":"2499572391","DMSO6":"2420581654","CID1":"3690727289","CID2":"3297983285","CID3":"3467240286","CID4":"6321771809","CID5":"3162607987","CID6":"3780573977"},{"Metabolite":"thiosulfate","DMSO1":"163592923.5","DMSO2":"5718597.474","DMSO3":"4489893.291","DMSO4":"5903546.88","DMSO5":"7364818.164","DMSO6":"7065326.148","CID1":"2738258.883","CID2":"5386306.086","CID3":"8999295.063","CID4":"5958439.899","CID5":"10480572.72","CID6":"5532071.331"},{"Metabolite":"Diphosphate","DMSO1":"40923517.87","DMSO2":"73309877.23","DMSO3":"75459468.04","DMSO4":"70870995.98","DMSO5":"80462118.2","DMSO6":"77172275.08","CID1":"70716136.18","CID2":"84073615.18","CID3":"54887999.47","CID4":"63641810.96","CID5":"99941238.23","CID6":"94610464.72"},{"Metabolite":"L-cysteate","DMSO1":"728811.453","DMSO2":"515906.367","DMSO3":"457867.242","DMSO4":"222077.685","DMSO5":"294476.151","DMSO6":"235135.887","CID1":"428920.86","CID2":"343911.639","CID3":"484513.476","CID4":"546550.758","CID5":"267158.997","CID6":"253552.659"},{"Metabolite":"D-Glucuronate 1-phosphate","DMSO1":"881324.097","DMSO2":"618095.202","DMSO3":"531204.048","DMSO4":"673834.689","DMSO5":"652353.504","DMSO6":"779043.12","CID1":"3691890.114","CID2":"5195764.047","CID3":"5101057.962","CID4":"1831621.173","CID5":"4725873.39","CID6":"4294209.648"},{"Metabolite":"N-acetyl-L-cystathionine","DMSO1":"713244.294","DMSO2":"1176862.761","DMSO3":"1544943.312","DMSO4":"963886.26","DMSO5":"993140.043","DMSO6":"750365.559","CID1":"1651696.842","CID2":"1924142.712","CID3":"1537452.759","CID4":"1634990.172","CID5":"1232130.876","CID6":"1237440.435"},{"Metabolite":"dCTP","DMSO1":"99468.105","DMSO2":"57995.73","DMSO3":"87562.542","DMSO4":"74521.269","DMSO5":"119934.27","DMSO6":"72011.268","CID1":"75135.069","CID2":"132768.366","CID3":"95063.223","CID4":"66851.613","CID5":"41661.603","CID6":"25158.174"},{"Metabolite":"L-glutamate","DMSO1":"774213923.1","DMSO2":"887820298","DMSO3":"823373144","DMSO4":"858687817.5","DMSO5":"882921070.5","DMSO6":"844781542.8","CID1":"598096369.7","CID2":"661280555.5","CID3":"565952924.7","CID4":"313196256.1","CID5":"581737155.9","CID6":"504904018.1"},{"Metabolite":"myo-inositol","DMSO1":"31264569.76","DMSO2":"24239033.53","DMSO3":"23265170.44","DMSO4":"32305336.88","DMSO5":"32042280.58","DMSO6":"30463290.98","CID1":"26924246.7","CID2":"29691614","CID3":"27317636.32","CID4":"22332353.55","CID5":"29376510.95","CID6":"25398731.39"},{"Metabolite":"uracil","DMSO1":"2717235.183","DMSO2":"2290628.724","DMSO3":"1959999.06","DMSO4":"2430528.897","DMSO5":"3088320.618","DMSO6":"2782888.155","CID1":"3282854.97","CID2":"3479298.039","CID3":"3288950.373","CID4":"6446931.426","CID5":"3770746.794","CID6":"3606915.741"},{"Metabolite":"aspartate","DMSO1":"208387338.5","DMSO2":"199489459.6","DMSO3":"168049617.3","DMSO4":"233715388.9","DMSO5":"234086072.1","DMSO6":"229568772.5","CID1":"261272115.3","CID2":"281001159.3","CID3":"304921930.8","CID4":"186578303.6","CID5":"260820113.9","CID6":"244857748.3"},{"Metabolite":"5-O-phosphonato-alpha-D-ribofuranosyl diphosphate","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"Hypoxanthine","DMSO1":"857684290","DMSO2":"1114307555","DMSO3":"1048014641","DMSO4":"1142974557","DMSO5":"1018667067","DMSO6":"1086129821","CID1":"910935172.3","CID2":"872054844.9","CID3":"1047828916","CID4":"989184853.5","CID5":"907668091.4","CID6":"781964446.4"},{"Metabolite":"5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxamide","DMSO1":"12508.764","DMSO2":"33075.42","DMSO3":"28749.774","DMSO4":"33293.298","DMSO5":"8093.544","DMSO6":"65221.104","CID1":"34625.142","CID2":"17016.894","CID3":"11578.32","CID4":"1000","CID5":"117431.856","CID6":"69826.83"},{"Metabolite":"IMP","DMSO1":"25376680.14","DMSO2":"82254729.54","DMSO3":"34474269.01","DMSO4":"21744877.51","DMSO5":"97605129.14","DMSO6":"125698607","CID1":"111332941.9","CID2":"54655431.22","CID3":"81108489.97","CID4":"74061179.11","CID5":"412314150.7","CID6":"367075946"},{"Metabolite":"GMP","DMSO1":"7882033.605","DMSO2":"9265959.003","DMSO3":"7461807.624","DMSO4":"8085356.868","DMSO5":"10754840.15","DMSO6":"16570165.38","CID1":"13926952.6","CID2":"11007963.87","CID3":"14656509.4","CID4":"11039041.92","CID5":"27088941.23","CID6":"23331418.83"},{"Metabolite":"GDP","DMSO1":"9982245.144","DMSO2":"9112406.898","DMSO3":"9573674.55","DMSO4":"9780236.961","DMSO5":"12621161.17","DMSO6":"11388476.31","CID1":"10312302.32","CID2":"11905937.94","CID3":"9615934.908","CID4":"9807727.305","CID5":"11989048.59","CID6":"11310577.76"},{"Metabolite":"GTP","DMSO1":"10317117.97","DMSO2":"6521427.594","DMSO3":"9227729.952","DMSO4":"9827239.764","DMSO5":"12671744.22","DMSO6":"7192347.552","CID1":"5416497.999","CID2":"7652311.98","CID3":"5236491.399","CID4":"6016069.113","CID5":"4058680.755","CID6":"4330472.991"},{"Metabolite":"AMP","DMSO1":"71281414.26","DMSO2":"88326781.36","DMSO3":"75358701.18","DMSO4":"103030499.6","DMSO5":"133223027.3","DMSO6":"167737211.6","CID1":"108081944.7","CID2":"104183960.2","CID3":"110447064.8","CID4":"117387798.7","CID5":"225644897.8","CID6":"212335440.9"},{"Metabolite":"ADP","DMSO1":"95309860.04","DMSO2":"120991797.1","DMSO3":"125304928.3","DMSO4":"126245634.1","DMSO5":"147534050.9","DMSO6":"143795343","CID1":"127317590.9","CID2":"138907423.6","CID3":"136761213.2","CID4":"130697198.1","CID5":"110838221.7","CID6":"106285366.8"},{"Metabolite":"ATP","DMSO1":"311280840.5","DMSO2":"189237046.8","DMSO3":"303384204.7","DMSO4":"235170037.9","DMSO5":"335561965.7","DMSO6":"173295465.1","CID1":"168381415.2","CID2":"233434222.1","CID3":"165318114.5","CID4":"164328825.4","CID5":"92448938.52","CID6":"102492748"},{"Metabolite":"orotate","DMSO1":"519374.922","DMSO2":"356705.469","DMSO3":"510978.936","DMSO4":"470381.304","DMSO5":"490733.538","DMSO6":"460011.303","CID1":"441523.2","CID2":"309998.718","CID3":"536158.359","CID4":"350881.233","CID5":"376618.287","CID6":"352165.065"},{"Metabolite":"CMP","DMSO1":"4038905.283","DMSO2":"4883852.202","DMSO3":"4557605.13","DMSO4":"3993163.617","DMSO5":"4615056.408","DMSO6":"6867866.55","CID1":"6771046.089","CID2":"5834748.852","CID3":"8219674.086","CID4":"6774240.978","CID5":"9562893.267","CID6":"9159492.87"},{"Metabolite":"CDP","DMSO1":"4636451.376","DMSO2":"4586292.213","DMSO3":"4925616.192","DMSO4":"5016757.668","DMSO5":"6740488.968","DMSO6":"6275784.648","CID1":"5829386.04","CID2":"5830771.212","CID3":"6256170.186","CID4":"6293417.775","CID5":"8619427.584","CID6":"7793276.538"},{"Metabolite":"CTP","DMSO1":"7061494.617","DMSO2":"4832463.45","DMSO3":"7352272.887","DMSO4":"7375993.839","DMSO5":"9519601.587","DMSO6":"5213368.584","CID1":"4179263.859","CID2":"6313922.343","CID3":"4341164.304","CID4":"5931243.651","CID5":"3218787.891","CID6":"3471421.884"},{"Metabolite":"UMP","DMSO1":"33309851.34","DMSO2":"32892651.44","DMSO3":"29570342.57","DMSO4":"31549954.65","DMSO5":"33286280.96","DMSO6":"40607710.17","CID1":"34789078.58","CID2":"36602416.08","CID3":"37111622.86","CID4":"38185253.54","CID5":"48136412.39","CID6":"43908299.94"},{"Metabolite":"UDP","DMSO1":"14378824.16","DMSO2":"14810950.31","DMSO3":"16734915.95","DMSO4":"17462771.72","DMSO5":"21478210.24","DMSO6":"21302405.23","CID1":"18280136.32","CID2":"19402941.01","CID3":"19887701.18","CID4":"16829916.28","CID5":"26604486.88","CID6":"24112408.61"},{"Metabolite":"UTP","DMSO1":"26831289.13","DMSO2":"17228525.59","DMSO3":"26541264.85","DMSO4":"22582332.64","DMSO5":"31554772.51","DMSO6":"16896267.52","CID1":"15458173.25","CID2":"20599162.61","CID3":"15033172.67","CID4":"16502503.43","CID5":"10416672.54","CID6":"11009465.83"},{"Metabolite":"dUDP","DMSO1":"446472.918","DMSO2":"196483.284","DMSO3":"147062.214","DMSO4":"208672.077","DMSO5":"212951.67","DMSO6":"206483.943","CID1":"116535.21","CID2":"121177.071","CID3":"380759.967","CID4":"220381.215","CID5":"140305.677","CID6":"87090.786"},{"Metabolite":"inosine","DMSO1":"101463240.5","DMSO2":"126116915.3","DMSO3":"132503349.3","DMSO4":"93985298.87","DMSO5":"155019377.1","DMSO6":"96487069.44","CID1":"176976785.9","CID2":"127336954.8","CID3":"152420398.7","CID4":"129632114.8","CID5":"193378336.3","CID6":"167416764.6"},{"Metabolite":"guanosine","DMSO1":"14405001.87","DMSO2":"21130169.93","DMSO3":"17210785.94","DMSO4":"18096023.31","DMSO5":"18014018.5","DMSO6":"17889524.07","CID1":"25399387.54","CID2":"25308355.81","CID3":"30404882.6","CID4":"53135559.87","CID5":"25688139.17","CID6":"26041909.84"},{"Metabolite":"cytidine","DMSO1":"10309588.1","DMSO2":"10457599.31","DMSO3":"10861601.54","DMSO4":"11733020.5","DMSO5":"12079337.56","DMSO6":"11456427.14","CID1":"15607407.29","CID2":"17929592.54","CID3":"15788142.45","CID4":"27523559.55","CID5":"17833553.22","CID6":"19293324.43"},{"Metabolite":"uridine","DMSO1":"40166002.16","DMSO2":"32506806.78","DMSO3":"34230224.54","DMSO4":"48743048.43","DMSO5":"44591319.62","DMSO6":"49957866.57","CID1":"60022990.08","CID2":"62863778.79","CID3":"55230832.3","CID4":"87415153.55","CID5":"57775892.37","CID6":"63847261.91"},{"Metabolite":"Thymidine","DMSO1":"355391.907","DMSO2":"306650.526","DMSO3":"403081.761","DMSO4":"352952.346","DMSO5":"467420.547","DMSO6":"396041.28","CID1":"2757566.28","CID2":"1595564.019","CID3":"4173019.686","CID4":"11900263.68","CID5":"1446656.649","CID6":"1570161.843"},{"Metabolite":"Deoxyinosine","DMSO1":"1579926.303","DMSO2":"1538667.078","DMSO3":"1576302.081","DMSO4":"1677753.411","DMSO5":"1584762.792","DMSO6":"1533505.329","CID1":"2814823.665","CID2":"2880757.989","CID3":"4230593.472","CID4":"13629210.47","CID5":"2584377.597","CID6":"2555832.342"},{"Metabolite":"Deoxyuridine","DMSO1":"223044.678","DMSO2":"358094.28","DMSO3":"481880.169","DMSO4":"314129.307","DMSO5":"350876.451","DMSO6":"202566.186","CID1":"5180392.989","CID2":"1885776.27","CID3":"5469989.634","CID4":"5337677.697","CID5":"1610554.194","CID6":"1857124.167"},{"Metabolite":"alpha-D-glucose","DMSO1":"81965250.54","DMSO2":"86425526.42","DMSO3":"77651457.27","DMSO4":"78845729.52","DMSO5":"78283734.88","DMSO6":"69600233.64","CID1":"57887771.28","CID2":"31626719.44","CID3":"36658987.43","CID4":"23763785.15","CID5":"26803467.01","CID6":"23825599.45"},{"Metabolite":"G6P/F6P","DMSO1":"90462594.15","DMSO2":"93743210.33","DMSO3":"92307199.13","DMSO4":"93407412.91","DMSO5":"107957590.5","DMSO6":"84390187.78","CID1":"80217457.08","CID2":"88229073.06","CID3":"80196955.16","CID4":"59735429.55","CID5":"91511282.14","CID6":"77991040.2"},{"Metabolite":"beta-D-Fructose 1,6-bisphosphate","DMSO1":"20783151.1","DMSO2":"19736362.68","DMSO3":"24033880.58","DMSO4":"27748057.16","DMSO5":"37358635.89","DMSO6":"32846322.26","CID1":"16344786.81","CID2":"24105967.31","CID3":"16024975.13","CID4":"12472367.72","CID5":"29028712.84","CID6":"27625541.8"},{"Metabolite":"Dihydroxyacetone phosphate","DMSO1":"2268848.157","DMSO2":"2298079.107","DMSO3":"2455291.383","DMSO4":"2775262.803","DMSO5":"3373376.181","DMSO6":"2766462.939","CID1":"1906549.026","CID2":"2285720.793","CID3":"1533396.522","CID4":"1920879.072","CID5":"2894796.474","CID6":"2629656.399"},{"Metabolite":"D-Glycerate 3-phosphate/D-Glycerate 2-phosphate","DMSO1":"19927889.67","DMSO2":"28265174.83","DMSO3":"34041866.93","DMSO4":"29004884.88","DMSO5":"33633410.03","DMSO6":"40402292.64","CID1":"26822061.53","CID2":"29799489.95","CID3":"24217762.93","CID4":"18263089.13","CID5":"33554019.65","CID6":"33617721.77"},{"Metabolite":"Phosphoenolpyruvate","DMSO1":"6199116.12","DMSO2":"7813773.336","DMSO3":"8930758.842","DMSO4":"7222811.595","DMSO5":"6854687.745","DMSO6":"8384232.765","CID1":"5779978.347","CID2":"6279782.382","CID3":"6363780.078","CID4":"4432371.114","CID5":"6778697.361","CID6":"6717046.83"},{"Metabolite":"lactate","DMSO1":"833702949.8","DMSO2":"907585357","DMSO3":"912686521.8","DMSO4":"1001747927","DMSO5":"804738591.7","DMSO6":"859552235.1","CID1":"1068913051","CID2":"942874661.7","CID3":"1095784931","CID4":"1267416407","CID5":"1090924249","CID6":"1088816135"},{"Metabolite":"citrate/isocitrate","DMSO1":"803818661.5","DMSO2":"1059814755","DMSO3":"1154572271","DMSO4":"722485083.9","DMSO5":"898641897","DMSO6":"677495862.7","CID1":"1288146299","CID2":"1052638328","CID3":"1131335362","CID4":"989649164.2","CID5":"721886290.7","CID6":"825573211.6"},{"Metabolite":"cis-aconitate","DMSO1":"6633767.955","DMSO2":"9562969.134","DMSO3":"10226775.27","DMSO4":"6353358.444","DMSO5":"7176690.435","DMSO6":"5419180.659","CID1":"11072519.15","CID2":"9194168.676","CID3":"9084001.08","CID4":"8418253.995","CID5":"5475587.616","CID6":"6005721.108"},{"Metabolite":"2-oxoglutarate","DMSO1":"3433163.7","DMSO2":"2893007.172","DMSO3":"3687835.38","DMSO4":"2836470.234","DMSO5":"2801260.614","DMSO6":"1811393.952","CID1":"2146590.048","CID2":"2308671.117","CID3":"2645886.993","CID4":"1590092.931","CID5":"1723633.26","CID6":"1409428.47"},{"Metabolite":"succinate","DMSO1":"53441688.2","DMSO2":"67334531.75","DMSO3":"66618762.78","DMSO4":"60599988.44","DMSO5":"55163680.45","DMSO6":"51057592.08","CID1":"53250488.23","CID2":"57682653.23","CID3":"49970250.62","CID4":"50744807.89","CID5":"48508907.13","CID6":"46475273.08"},{"Metabolite":"fumarate","DMSO1":"42080109.2","DMSO2":"43955200.19","DMSO3":"47876223.32","DMSO4":"44821067.65","DMSO5":"49376690.77","DMSO6":"44530472.25","CID1":"60197740.49","CID2":"64654453.79","CID3":"60234611.34","CID4":"56146898.67","CID5":"67853003.8","CID6":"64225853.95"},{"Metabolite":"malate","DMSO1":"400049986.9","DMSO2":"432982722.4","DMSO3":"481691697.5","DMSO4":"443315037.7","DMSO5":"471837222.3","DMSO6":"437499934.9","CID1":"570374332.1","CID2":"622498313.4","CID3":"572172903.5","CID4":"565697845.5","CID5":"666593132.3","CID6":"636631108.8"},{"Metabolite":"acetoacetate","DMSO1":"25003539.27","DMSO2":"20835050.02","DMSO3":"15421858.53","DMSO4":"15380908.25","DMSO5":"12800018.73","DMSO6":"10409868.51","CID1":"21346737.62","CID2":"16578550.65","CID3":"15868394.82","CID4":"12079638.59","CID5":"10901278.41","CID6":"9907409.919"},{"Metabolite":"2-Hydroxyglutarate","DMSO1":"6468353.637","DMSO2":"7117461.072","DMSO3":"7355781.819","DMSO4":"6427023.024","DMSO5":"6105615.321","DMSO6":"5404609.155","CID1":"6852493.926","CID2":"6045101.718","CID3":"7661630.16","CID4":"11119573.48","CID5":"5532689.985","CID6":"5099459.238"},{"Metabolite":"dUMP","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"dTMP","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"dTTP","DMSO1":"78289.89","DMSO2":"31910.775","DMSO3":"173077.284","DMSO4":"12203.334","DMSO5":"93847.701","DMSO6":"19825.626","CID1":"53381.355","CID2":"60484.182","CID3":"43933.617","CID4":"94812.06","CID5":"1000","CID6":"27399.528"},{"Metabolite":"dATP","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"ADP-ribose","DMSO1":"553582.683","DMSO2":"200301.291","DMSO3":"232530.087","DMSO4":"213639.81","DMSO5":"281520.588","DMSO6":"261922.383","CID1":"152243.688","CID2":"416814.378","CID3":"228150.171","CID4":"169252.977","CID5":"192392.202","CID6":"232394.115"},{"Metabolite":"NADH","DMSO1":"91683.78","DMSO2":"210002.628","DMSO3":"163873.596","DMSO4":"143399.637","DMSO5":"231152.586","DMSO6":"152841.678","CID1":"124199.928","CID2":"205983.807","CID3":"95543.217","CID4":"21453.63","CID5":"216892.257","CID6":"119423.895"},{"Metabolite":"NADPH","DMSO1":"0","DMSO2":"0","DMSO3":"0","DMSO4":"0","DMSO5":"0","DMSO6":"0","CID1":"0","CID2":"0","CID3":"0","CID4":"0","CID5":"0","CID6":"0"},{"Metabolite":"pyruvate","DMSO1":"14997715.33","DMSO2":"14823997.52","DMSO3":"12161094.77","DMSO4":"12328665.29","DMSO5":"12537214.67","DMSO6":"11176975.01","CID1":"13546814.43","CID2":"12699796.49","CID3":"15272399.44","CID4":"13182870.45","CID5":"12997343.96","CID6":"12256222.04"}],

"Metabolites":[{"Metabolite":"oxalate","Chemical formula":"C2H2O4"},{"Metabolite":"Hypotaurine","Chemical formula":"C2H7NO2S"},{"Metabolite":"Taurine","Chemical formula":"C2H7NO3S"},{"Metabolite":"C3H4O2(3)","Chemical formula":"C3H4O2"},{"Metabolite":"Glycerol 3-phosphate","Chemical formula":"C3H9O6P"},{"Metabolite":"O-Phospho-L-serine","Chemical formula":"C3H8NO6P"},{"Metabolite":"L-erythrulose","Chemical formula":"C4H8O4"},{"Metabolite":"L-threonate","Chemical formula":"C4H8O5"},{"Metabolite":"allantoate","Chemical formula":"C4H8N4O4"},{"Metabolite":"D-Erythrose 4-phosphate","Chemical formula":"C4H9O7P"},{"Metabolite":"N-phosphocreatinate","Chemical formula":"C4H10N3O5P"},{"Metabolite":"3-methyl-2-oxobutanoate","Chemical formula":"C5H8O3"},{"Metabolite":"beta-hydroxy-beta-methylbutyrate","Chemical formula":"C5H10O3"},{"Metabolite":"Xanthine","Chemical formula":"C5H4N4O2"},{"Metabolite":"7,9-dihydro-1H-purine-2688(3H)-trione","Chemical formula":"C5H4N4O3"},{"Metabolite":"N-Carbamoyl-L-aspartate","Chemical formula":"C5H8N2O5"},{"Metabolite":"5-Hydroxyisourate","Chemical formula":"C5H4N4O4"},{"Metabolite":"5-Phospho-beta-D-ribosylamine","Chemical formula":"C5H12NO7P"},{"Metabolite":"(R)-2-hydroxy-4-methylpentanoate","Chemical formula":"C6H12O3"},{"Metabolite":"4-nitrophenolate","Chemical formula":"C6H5NO3"},{"Metabolite":"2-methylglutaconic acid","Chemical formula":"C6H8O4"},{"Metabolite":"adipic acid","Chemical formula":"C6H10O4"},{"Metabolite":"lysine","Chemical formula":"C6H14N2O2"},{"Metabolite":"2-aminomuconate","Chemical formula":"C6H7NO4"},{"Metabolite":"2-oxoadipate","Chemical formula":"C6H8O5"},{"Metabolite":"erythro-5-hydroxy-L-lysinium","Chemical formula":"C6H14N2O3"},{"Metabolite":"arginine","Chemical formula":"C6H14N4O2"},{"Metabolite":"4-Nitrophenyl sulfate","Chemical formula":"C6H5NO6S"},{"Metabolite":"L-Fucose 1-phosphate","Chemical formula":"C6H13O8P"},{"Metabolite":"D-Glucosamine 6-phosphate","Chemical formula":"C6H14NO8P"},{"Metabolite":"6-Phosphogluconic acid","Chemical formula":"C6H13O10P"},{"Metabolite":"4-hydroxybenzoate/Gentisate aldehyde","Chemical formula":"C7H6O3"},{"Metabolite":"quinolinate","Chemical formula":"C7H5NO4"},{"Metabolite":"2-acetamido-5-oxopentanoate","Chemical formula":"C7H11NO4"},{"Metabolite":"N-acetyl-L-glutamate","Chemical formula":"C7H11NO5"},{"Metabolite":"L-cystathionine","Chemical formula":"C7H14N2O4S"},{"Metabolite":"N1-(5-Phospho-D-ribosyl)glycinamide","Chemical formula":"C7H15N2O8P"},{"Metabolite":"Sedoheptulose 7-phosphate","Chemical formula":"C7H15O10P"},{"Metabolite":"sedoheptulose 1,7-bisphosphate","Chemical formula":"C7H16O13P2"},{"Metabolite":"fructoseglycine","Chemical formula":"C8H15NO7"},{"Metabolite":"Sulfate derivative of norepinephrine","Chemical formula":"C8H11NO6S"},{"Metabolite":"N2-Formyl-N1-(5-phospho-D-ribosyl)glycinamide","Chemical formula":"C8H15N2O9P"},{"Metabolite":"nonanoate","Chemical formula":"C9H18O2"},{"Metabolite":"4-hydroperoxy-2-nonenal","Chemical formula":"C9H16O3"},{"Metabolite":"Azelaic acid","Chemical formula":"C9H16O4"},{"Metabolite":"(R)-Pantothenate","Chemical formula":"C9H17NO5"},{"Metabolite":"carnosine","Chemical formula":"C9H14N4O3"},{"Metabolite":"gama-L-glutamyl-L-alpha-aminobutyrate","Chemical formula":"C9H16N2O5"},{"Metabolite":"Galactosylglycerol","Chemical formula":"C9H18O8"},{"Metabolite":"S-[2-carboxy-1-(1 H-imidazol-4-yl)ethyl]-L-cysteine","Chemical formula":"C9H13N3O4S"},{"Metabolite":"N-acetyl-seryl-aspartate","Chemical formula":"C9H14N2O7"},{"Metabolite":"3-Deoxy-D-glycero-D-galacto-2-nonulosonic acid","Chemical formula":"C9H16O9"},{"Metabolite":"2-keto-3-deoxy-D-glycero-D-galactononic acid 9-phosphate","Chemical formula":"C9H17O12P"},{"Metabolite":"Perillic acid","Chemical formula":"C10H14O2"},{"Metabolite":"trans-4,5-epoxy-2(E)-decenal","Chemical formula":"C10H16O2"},{"Metabolite":"caprate","Chemical formula":"C10H20O2"},{"Metabolite":"kynurenate","Chemical formula":"C10H7NO3"},{"Metabolite":"N(omega)-(L-Arginino)succinate","Chemical formula":"C10H18N4O6"},{"Metabolite":"dIMP","Chemical formula":"C10H13N4O7P"},{"Metabolite":"L-tryptophan","Chemical formula":"C11H12N2O2"},{"Metabolite":"laurate","Chemical formula":"C12H24O2"},{"Metabolite":"omega hydroxy dodecanoate (n-C12:0)","Chemical formula":"C12H24O3"},{"Metabolite":"Dodecanedioic acid","Chemical formula":"C12H22O4"},{"Metabolite":"fructosyllysine","Chemical formula":"C12H24N2O7"},{"Metabolite":"tetradecenoate (n-C14:1)","Chemical formula":"C14H26O2"},{"Metabolite":"myristate","Chemical formula":"C14H28O2"},{"Metabolite":"6(S)-hydroxy-tetradeca-2E4E8Z-trienoate/6(R)-hydroxy-tetradeca-2E4E8Z-trienoate","Chemical formula":"C14H22O3"},{"Metabolite":"omega hydroxy tetradecanoate (n-C14:0)","Chemical formula":"C14H28O3"},{"Metabolite":"3(S)6(R)-dihydroxy-tetradec-8Z-enoate/3(S)6(S)-dihydroxy-tetradec-8Z-enoate","Chemical formula":"C14H26O4"},{"Metabolite":"pentadecanoate","Chemical formula":"C15H30O2"},{"Metabolite":"palmitoleate","Chemical formula":"C16H30O2"},{"Metabolite":"palmitate","Chemical formula":"C16H32O2"},{"Metabolite":"omega hydroxy hexadecanoate (n-C16:0)","Chemical formula":"C16H32O3"},{"Metabolite":"11'-Carboxy-alpha-chromanol","Chemical formula":"C16H22O4"},{"Metabolite":"Hexadecanedioic acid","Chemical formula":"C16H30O4"},{"Metabolite":"margarate","Chemical formula":"C17H34O2"},{"Metabolite":"stearate","Chemical formula":"C18H36O2"},{"Metabolite":"12,13-epoxy-9-hydroperoxy-10E-octadecenoate","Chemical formula":"C18H32O5"},{"Metabolite":"estrone 3-sulfate","Chemical formula":"C18H22O5S"},{"Metabolite":"8,11,14-Eicosatrienoic acid (DGLA)","Chemical formula":"C20H34O2"},{"Metabolite":"Eicosenoic acid","Chemical formula":"C20H38O2"},{"Metabolite":"15(S)-Hydroxyeicosatrienoic acid","Chemical formula":"C20H34O3"},{"Metabolite":"N-Acetylneuraminate 9-phosphate","Chemical formula":"C11H20NO12P"},{"Metabolite":"fructoselysine 3-phosphate","Chemical formula":"C12H25N2O10P"},{"Metabolite":"(R)-S-lactoylglutathionate","Chemical formula":"C13H21N3O8S"},{"Metabolite":"UDP-alpha-D-xylose","Chemical formula":"C14H22N2O16P2"},{"Metabolite":"UDP-D-glucuronate","Chemical formula":"C15H22N2O18P2"},{"Metabolite":"GDP-D-mannose","Chemical formula":"C16H25N5O16P2"},{"Metabolite":"2-hydroxyamino-MeIQx-N2-(beta-1-glucosiduronyl)-2-hydroxyamino-3-8-dimethylimidazo[4-5-f]quinoxaline","Chemical formula":"C17H19N5O7"},{"Metabolite":"docosanedioicacid","Chemical formula":"C22H42O4"},{"Metabolite":"lithocholate","Chemical formula":"C24H40O3"},{"Metabolite":"glycolithocholate","Chemical formula":"C26H43NO4"},{"Metabolite":"glycochenodeoxycholate","Chemical formula":"C26H43NO5"},{"Metabolite":"taurolithocholate","Chemical formula":"C26H45NO5S"},{"Metabolite":"sulfoglycolithocholate","Chemical formula":"C26H43NO7S"},{"Metabolite":"cholesterol sulfate","Chemical formula":"C27H46O4S"},{"Metabolite":"13-carboxy-alpha-tocopherol","Chemical formula":"C29H48O4"},{"Metabolite":"3-oxopropanoate","Chemical formula":"C3H4O3"},{"Metabolite":"Malonate/3-hydroxypyruvate","Chemical formula":"C3H4O4"},{"Metabolite":"D-glycerate","Chemical formula":"C3H6O4"},{"Metabolite":"1,3-diphosphoglycerate /2,3-diphosphoglycerate /(1,3BPG or2,3BPG)","Chemical formula":"C3H8O10P2"},{"Metabolite":"C4H6O3(3)","Chemical formula":"C4H6O3"},{"Metabolite":"C4H8O3(3)","Chemical formula":"C4H8O3"},{"Metabolite":"5-oxoproline/L-1-Pyrroline-3-hydroxy-5-carboxylate","Chemical formula":"C5H7NO3"},{"Metabolite":"itaconate/Mesaconate","Chemical formula":"C5H6O4"},{"Metabolite":"L-4-hydroxyglutamate semialdehyde","Chemical formula":"C5H9NO4"},{"Metabolite":"C5H10O5(6)","Chemical formula":"C5H10O5"},{"Metabolite":"L-arabinitol/xylitol/D-ribitol","Chemical formula":"C5H12O5"},{"Metabolite":"L-xylonate/L-lyxonate","Chemical formula":"C5H10O6"},{"Metabolite":"2-deoxy-D-ribose 5-phosphate/2-Deoxy-D-ribose 1-phosphate","Chemical formula":"C5H11O7P"},{"Metabolite":"ribose-phosphate","Chemical formula":"C5H11O8P"},{"Metabolite":"3-methyl-2-oxopentanoate/4-methyl-2-oxopentanoate(ketoleucine)","Chemical formula":"C6H10O3"},{"Metabolite":"N-Formimidoyl-L-glutamate","Chemical formula":"C6H10N2O4"},{"Metabolite":"N-acetyl-L-aspartate/2-Amino-3-oxoadipate","Chemical formula":"C6H9NO5"},{"Metabolite":"C6H12O6(5)","Chemical formula":"C6H12O6"},{"Metabolite":"L-Iditol/D-glucitol/galactitol","Chemical formula":"C6H14O6"},{"Metabolite":"3-dehydro-L-gulonate/D-glucuronate/L-iduronate","Chemical formula":"C6H10O7"},{"Metabolite":"gulonate","Chemical formula":"C6H12O7"},{"Metabolite":"5-Methylthio-5-deoxy-D-ribulose 1-phosphate/5-Methylthio-5-deoxy-D-ribose 1-phosphate","Chemical formula":"C6H13O7PS"},{"Metabolite":"Methylisocitric acid/2-methylcitrate","Chemical formula":"C7H10O7"},{"Metabolite":"phenylacetate/(4-hydroxyphenyl)acetaldehyde","Chemical formula":"C8H8O2"},{"Metabolite":"4-Hydroxyphenylacetate/2-Hydroxyphenylacetate/3,4-Dihydroxyphenylacetaldehyde","Chemical formula":"C8H8O3"},{"Metabolite":"N-formylanthranilate/noradrenochrome","Chemical formula":"C8H7NO3"},{"Metabolite":"4-hydroxy-2-nonenal/3,4-epoxynonanal","Chemical formula":"C9H16O2"},{"Metabolite":"adrenochrome/N-benzoylglycinate","Chemical formula":"C9H9NO3"},{"Metabolite":"4(R)-hydroxy-dodec-6Z-enoate/4(S)-hydroxy-dodec-6Z-enoate","Chemical formula":"C12H22O3"},{"Metabolite":"C14H24O3(4)","Chemical formula":"C14H24O3"},{"Metabolite":"3-oxo-6(R)-hydroxy-tetradec-8-cis-enoate/3-oxo-6(S)-hydroxy-tetradec-8Z-enoate","Chemical formula":"C14H24O4"},{"Metabolite":"8(R)-hydroxy-hexadeca-2E4E6E10Z-tetraenoate/8(S)-hydroxy-hexadeca-2E4E6E10Z-tetraenoate","Chemical formula":"C16H24O3"},{"Metabolite":"C16H26O3(4)","Chemical formula":"C16H26O3"},{"Metabolite":"3-oxo-8(R)-hydroxy-hexadeca-6E10Z-dienoate/3-oxo-8(S)-hydroxy-hexadeca-6E10Z-dienoate","Chemical formula":"C16H26O4"},{"Metabolite":"linoleic acid/linoelaidic acid (all trans C18:2)/octadecadienoate (n-C18:2)","Chemical formula":"C18H32O2"},{"Metabolite":"oleic acid/elaidate/trans-vaccenate","Chemical formula":"C18H34O2"},{"Metabolite":"9(10)-EpOME/12(13)-EpOME","Chemical formula":"C18H32O3"},{"Metabolite":"9,10-hydroxyoctadec-12(Z)-enoate/12,13-hydroxyoctadec-9(Z)-enoate","Chemical formula":"C18H34O4"},{"Metabolite":"pristanic acid","Chemical formula":"C19H38O2"},{"Metabolite":"C20H30O2(4)","Chemical formula":"C20H30O2"},{"Metabolite":"arachidonic acid","Chemical formula":"C20H32O2"},{"Metabolite":"phytanic acid/arachidic acid","Chemical formula":"C20H40O2"},{"Metabolite":"C20H30O3(6)","Chemical formula":"C20H30O3"},{"Metabolite":"C20H32O3(12)","Chemical formula":"C20H32O3"},{"Metabolite":"C20H30O4(18)","Chemical formula":"C20H30O4"},{"Metabolite":"C20H32O4(21)","Chemical formula":"C20H32O4"},{"Metabolite":"C20H34O4(4)","Chemical formula":"C20H34O4"},{"Metabolite":"docosahexaenoate(DHA)","Chemical formula":"C22H32O2"},{"Metabolite":"clupanodonic acid/docosa-4,7,10,13,16-pentaenoic acid","Chemical formula":"C22H34O2"},{"Metabolite":"UDP-D-glucose/UDP-D-galactose","Chemical formula":"C15H24N2O17P2"},{"Metabolite":"ADP-mannose/GDP-L-fucose/ADP alpha-D-glucoside","Chemical formula":"C16H25N5O15P2"},{"Metabolite":"UDP-N-acetyl-alpha-D-glucosamine/UDP-N-acetyl-alpha-D-galactosamine","Chemical formula":"C17H27N3O17P2"},{"Metabolite":"Taurodeoxycholic acid/taurochenodeoxycholate","Chemical formula":"C26H45NO6S"},{"Metabolite":"C27H46O4(3)","Chemical formula":"C27H46O4"},{"Metabolite":"3alpha-7alpha-12alpha-Trihydroxy-5beta-cholestanoate/3alpha-7alpha-12alpha-25-tetrahydroxy-5beta-cholestane-24-one","Chemical formula":"C27H46O5"},{"Metabolite":"Ercalcitriol","Chemical formula":"C28H44O3"},{"Metabolite":"4alpha-5-epoxy-8alpha-hydroperoxytocopherone/7-8-epoxy-8alpha-hydroperoxytocopherone","Chemical formula":"C29H50O5"},{"Metabolite":"L-isoleucine/L-leucine","Chemical formula":"C6H13NO2"},{"Metabolite":"thiosulfate","Chemical formula":"H2O3S2"},{"Metabolite":"Diphosphate","Chemical formula":"H4O7P2"},{"Metabolite":"L-cysteate","Chemical formula":"C3H7NO5S"},{"Metabolite":"D-Glucuronate 1-phosphate","Chemical formula":"C6H11O10P"},{"Metabolite":"N-acetyl-L-cystathionine","Chemical formula":"C9H16N2O5S"},{"Metabolite":"dCTP","Chemical formula":"C9H16N3O13P3"},{"Metabolite":"L-glutamate","Chemical formula":"C5H9NO4"},{"Metabolite":"myo-inositol","Chemical formula":"C6H12O6"},{"Metabolite":"uracil","Chemical formula":"C4H4N2O2"},{"Metabolite":"aspartate","Chemical formula":"C4H7NO4"},{"Metabolite":"5-O-phosphonato-alpha-D-ribofuranosyl diphosphate","Chemical formula":"C5H13O14P3"},{"Metabolite":"Hypoxanthine","Chemical formula":"C5H4N4O"},{"Metabolite":"5-Amino-1-(5-Phospho-D-ribosyl)imidazole-4-carboxamide","Chemical formula":"C9H15N4O8P"},{"Metabolite":"IMP","Chemical formula":"C10H13N4O8P"},{"Metabolite":"GMP","Chemical formula":"C10H14N5O8P"},{"Metabolite":"GDP","Chemical formula":"C10H15N5O11P2"},{"Metabolite":"GTP","Chemical formula":"C10H16N5O14P3"},{"Metabolite":"AMP","Chemical formula":"C10H14N5O7P"},{"Metabolite":"ADP","Chemical formula":"C10H15N5O10P2"},{"Metabolite":"ATP","Chemical formula":"C10H16N5O13P3"},{"Metabolite":"orotate","Chemical formula":"C5H4N2O4"},{"Metabolite":"CMP","Chemical formula":"C9H14N3O8P"},{"Metabolite":"CDP","Chemical formula":"C9H15N3O11P2"},{"Metabolite":"CTP","Chemical formula":"C9H16N3O14P3"},{"Metabolite":"UMP","Chemical formula":"C9H13N2O9P"},{"Metabolite":"UDP","Chemical formula":"C9H14N2O12P2"},{"Metabolite":"UTP","Chemical formula":"C9H15N2O15P3"},{"Metabolite":"dUDP","Chemical formula":"C9H14N2O11P2"},{"Metabolite":"inosine","Chemical formula":"C10H12N4O5"},{"Metabolite":"guanosine","Chemical formula":"C10H13N5O5"},{"Metabolite":"cytidine","Chemical formula":"C9H13N3O5"},{"Metabolite":"uridine","Chemical formula":"C9H12N2O6"},{"Metabolite":"Thymidine","Chemical formula":"C10H14N2O5"},{"Metabolite":"Deoxyinosine","Chemical formula":"C10H12N4O4"},{"Metabolite":"Deoxyuridine","Chemical formula":"C9H12N2O5"},{"Metabolite":"alpha-D-glucose","Chemical formula":"C6H12O6"},{"Metabolite":"G6P/F6P","Chemical formula":"C6H13O9P"},{"Metabolite":"beta-D-Fructose 1,6-bisphosphate","Chemical formula":"C6H14O12P2"},{"Metabolite":"Dihydroxyacetone phosphate","Chemical formula":"C3H7O6P"},{"Metabolite":"D-Glycerate 3-phosphate/D-Glycerate 2-phosphate","Chemical formula":"C3H7O7P"},{"Metabolite":"Phosphoenolpyruvate","Chemical formula":"C3H5O6P"},{"Metabolite":"lactate","Chemical formula":"C3H6O3"},{"Metabolite":"citrate/isocitrate","Chemical formula":"C6H8O7"},{"Metabolite":"cis-aconitate","Chemical formula":"C6H6O6"},{"Metabolite":"2-oxoglutarate","Chemical formula":"C5H6O5"},{"Metabolite":"succinate","Chemical formula":"C4H6O4"},{"Metabolite":"fumarate","Chemical formula":"C4H4O4"},{"Metabolite":"malate","Chemical formula":"C4H6O5"},{"Metabolite":"acetoacetate","Chemical formula":"C4H6O3"},{"Metabolite":"2-Hydroxyglutarate","Chemical formula":"C5H8O5"},{"Metabolite":"dUMP","Chemical formula":"C9H13N2O8P"},{"Metabolite":"dTMP","Chemical formula":"C10H14N2O8P"},{"Metabolite":"dTTP","Chemical formula":"C10H17N2O14P3"},{"Metabolite":"dATP","Chemical formula":"C10H16N5O12P3"},{"Metabolite":"ADP-ribose","Chemical formula":"C15H23N5O14P2"},{"Metabolite":"NADH","Chemical formula":"C21H29N7O14P2"},{"Metabolite":"NADPH","Chemical formula":"C21H30N7O17P3"},{"Metabolite":"pyruvate","Chemical formula":"C3H4O3"}]
}

}