{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002836","ANALYSIS_ID":"AN004636","VERSION":"1","CREATED_ON":"August 22, 2023, 12:00 pm"},

"PROJECT":{"PROJECT_TITLE":"Bacterial tryptophan metabolites increased by prebiotic galactooligosaccharide reduce microglial reactivity and are associated with lower anxiety-like behavior","PROJECT_SUMMARY":"Prebiotic galactooligosaccharides (GOS) reduce anxiety-like behaviors in mice and humans. However, the biological pathways behind these behavioral changes are not well understood. To begin to study these pathways, C57BL/6 mice were fed a standard diet with or without GOS supplementation for 3 weeks prior to testing on the open field. After behavioral testing, colonic contents and serum were collected for bacteriome (16S rRNA gene sequencing, colonic contents only) and metabolome (UPLC-MS, colonic contents and serum data) analyses. As expected, GOS significantly reduced anxiety-like behavior (i.e., increased time in the center (p < 0.05)). Time in the center was significantly correlated with serum methyl-indole-3-acetate (mI3A). This metabolite, which is a methylated form of indole-3-acetate, is derived from bacterial metabolism of tryptophan. Sequencing analyses showed that GOS significantly increased Akkermansia, which is known to metabolize both GOS and tryptophan. To test the hypothesis that mI3A can reduce anxiety-like behavior and affect microglial activity, we first tested mI3A effects on LPS-stimulated BV2 microglia. Cells treated with mI3A produced significantly less CCL2 and TNF-α than vehicle-treated cells (p<.05). We then treated mice with an intraperitoneal injection of mI3A or vehicle control, and found that mice given mI3A had lower CCL2 in the prefrontal cortex and hippocampus, as well as a reduction in a composite behavioral score in the open field. Together, these data support a novel pathway through which GOS reduces anxiety-like behaviors in mice, and suggests that the bacterial metabolite mI3A, which is elevated by GOS, reduces microglial CCL2, which in turn reduces anxiety-like behavior.","INSTITUTE":"National Center for Advancing Translational Sciences","LAST_NAME":"Spencer","FIRST_NAME":"Kyle","ADDRESS":"9800 Medical Center Dr, Rockville, MD 20850","EMAIL":"kyle.spencer@nih.gov","PHONE":"989-708-4858"},

"STUDY":{"STUDY_TITLE":"Bacterial tryptophan metabolites increased by prebiotic galactooligosaccharide reduce microglial reactivity and are associated with lower anxiety-like behavior (Intestine)","STUDY_SUMMARY":"Prebiotic galactooligosaccharides (GOS) reduce anxiety-like behaviors in mice and humans. However, the biological pathways behind these behavioral changes are not well understood. To begin to study these pathways, C57BL/6 mice were fed a standard diet with or without GOS supplementation for 3 weeks prior to testing on the open field. After behavioral testing, colonic contents and serum were collected for bacteriome (16S rRNA gene sequencing, colonic contents only) and metabolome (UPLC-MS, colonic contents and serum data) analyses. As expected, GOS significantly reduced anxiety-like behavior (i.e., increased time in the center (p < 0.05)). Time in the center was significantly correlated with serum methyl-indole-3-acetate (mI3A). This metabolite, which is a methylated form of indole-3-acetate, is derived from bacterial metabolism of tryptophan. Sequencing analyses showed that GOS significantly increased Akkermansia, which is known to metabolize both GOS and tryptophan. To test the hypothesis that mI3A can reduce anxiety-like behavior and affect microglial activity, we first tested mI3A effects on LPS-stimulated BV2 microglia. Cells treated with mI3A produced significantly less CCL2 and TNF-α than vehicle-treated cells (p<.05). We then treated mice with an intraperitoneal injection of mI3A or vehicle control, and found that mice given mI3A had lower CCL2 in the prefrontal cortex and hippocampus, as well as a reduction in a composite behavioral score in the open field. Together, these data support a novel pathway through which GOS reduces anxiety-like behaviors in mice, and suggests that the bacterial metabolite mI3A, which is elevated by GOS, reduces microglial CCL2, which in turn reduces anxiety-like behavior.","INSTITUTE":"National Center for Advancing Translational Sciences","LAST_NAME":"Spencer","FIRST_NAME":"Kyle","ADDRESS":"9800 Medical Center Dr, Rockville, MD 20850","EMAIL":"kyle.spencer@nih.gov","PHONE":"989-708-4858"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"NACH-00282",
"Factors":{"GROUP_ID":"GOS"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00283",
"Factors":{"GROUP_ID":"GOS"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00284",
"Factors":{"GROUP_ID":"GOS"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00285",
"Factors":{"GROUP_ID":"GOS"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00286",
"Factors":{"GROUP_ID":"GOS"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00287",
"Factors":{"GROUP_ID":"GOS"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00288",
"Factors":{"GROUP_ID":"CON"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00289",
"Factors":{"GROUP_ID":"CON"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00290",
"Factors":{"GROUP_ID":"CON"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00291",
"Factors":{"GROUP_ID":"CON"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00292",
"Factors":{"GROUP_ID":"CON"}
},
{
"Subject ID":"-",
"Sample ID":"NACH-00293",
"Factors":{"GROUP_ID":"CON"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"After euthanasia the colonic contents of the mice were collected and sent to Metabolon Inc for UPLC-MS Analysis.","SAMPLE_TYPE":"Intestine"},

"TREATMENT":{"TREATMENT_SUMMARY":"The mice were fed either a control diet or a diet supplemented with 10% galactooligosaccharide for 3 weeks. After the 3 weeks had elapsed the mice were euthanized and the colonic contents were collected."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"The colonic contents were sent to Metabolon who then performed the sample preparation prior to UPLC-MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"HILIC (LC/MS Polar Neg)","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)","SOLVENT_A":"-","SOLVENT_B":"-","FLOW_GRADIENT":"-","FLOW_RATE":"-","COLUMN_TEMPERATURE":"-"},

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

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"Other","ION_MODE":"NEGATIVE","MS_COMMENTS":"Metabolon (LC/MS Polar)"},

"MS_METABOLITE_DATA":{
"Units":"Relative Abundance",

"Data":[{"Metabolite":"2,3-dihydroxyisovalerate","NACH-00282":"1.0135","NACH-00283":"1.7091","NACH-00284":"0.752","NACH-00285":"0.6987","NACH-00286":"1.3988","NACH-00287":"2.8288","NACH-00288":"0.3756","NACH-00289":"0.9865","NACH-00290":"1.143","NACH-00291":"0.6164","NACH-00292":"1.3356","NACH-00293":"0.7331"},{"Metabolite":"2-hydroxy-4-(methylthio)butanoic acid","NACH-00282":"0.752","NACH-00283":"0.9066","NACH-00284":"2.4049","NACH-00285":"1","NACH-00286":"0.9732","NACH-00287":"2.2794","NACH-00288":"3.2909","NACH-00289":"8.0785","NACH-00290":"1.1837","NACH-00291":"0.5105","NACH-00292":"0.5105","NACH-00293":"0.8405"},{"Metabolite":"2-hydroxybutyrate/2-hydroxyisobutyrate","NACH-00282":"0.5742","NACH-00283":"2.6007","NACH-00284":"1.2385","NACH-00285":"0.8926","NACH-00286":"4.6774","NACH-00287":"1.0947","NACH-00288":"0.772","NACH-00289":"1.3488","NACH-00290":"0.876","NACH-00291":"0.5818","NACH-00292":"1.7659","NACH-00293":"0.9053"},{"Metabolite":"2-hydroxyheptanoate*","NACH-00282":"0.6229","NACH-00283":"0.6229","NACH-00284":"1.7416","NACH-00285":"0.8903","NACH-00286":"1.5609","NACH-00287":"1","NACH-00288":"0.9243","NACH-00289":"2.5918","NACH-00290":"0.6328","NACH-00291":"1.3119","NACH-00292":"0.7971","NACH-00293":"1.1481"},{"Metabolite":"2-hydroxylignocerate*","NACH-00282":"1.3669","NACH-00283":"0.5955","NACH-00284":"0.7005","NACH-00285":"2.1765","NACH-00286":"0.4367","NACH-00287":"2.6105","NACH-00288":"0.7942","NACH-00289":"0.8515","NACH-00290":"1.1485","NACH-00291":"1.889","NACH-00292":"0.3708","NACH-00293":"1.2574"},{"Metabolite":"2-isopropylmalate","NACH-00282":"0.5073","NACH-00283":"1.2822","NACH-00284":"0.5073","NACH-00285":"0.5073","NACH-00286":"1.3934","NACH-00287":"3.924","NACH-00288":"0.5073","NACH-00289":"0.7178","NACH-00290":"0.5073","NACH-00291":"0.6763","NACH-00292":"1.9832","NACH-00293":"0.6226"},{"Metabolite":"2R,3R-dihydroxybutyrate","NACH-00282":"0.44","NACH-00283":"2.571","NACH-00284":"0.44","NACH-00285":"0.7768","NACH-00286":"4.5544","NACH-00287":"1","NACH-00288":"0.44","NACH-00289":"0.8778","NACH-00290":"0.44","NACH-00291":"0.44","NACH-00292":"2.7856","NACH-00293":"0.44"},{"Metabolite":"2S,3R-dihydroxybutyrate","NACH-00282":"0.8774","NACH-00283":"1.3465","NACH-00284":"1","NACH-00285":"1.5468","NACH-00286":"3.5878","NACH-00287":"1.2719","NACH-00288":"0.5251","NACH-00289":"0.7622","NACH-00290":"1.3371","NACH-00291":"0.6655","NACH-00292":"0.5251","NACH-00293":"0.5327"},{"Metabolite":"3,4-dihydroxybutyrate","NACH-00282":"1.5652","NACH-00283":"0.9724","NACH-00284":"0.9103","NACH-00285":"1","NACH-00286":"1.7438","NACH-00287":"1.7831","NACH-00288":"0.5568","NACH-00289":"0.9111","NACH-00290":"1.2413","NACH-00291":"0.5568","NACH-00292":"0.5568","NACH-00293":"0.5568"},{"Metabolite":"3-hydroxy-3-methylglutarate","NACH-00282":"0.6795","NACH-00283":"1.6665","NACH-00284":"0.5793","NACH-00285":"1.4568","NACH-00286":"3.23","NACH-00287":"2.7987","NACH-00288":"0.3234","NACH-00289":"0.6563","NACH-00290":"0.3234","NACH-00291":"0.3234","NACH-00292":"1.3205","NACH-00293":"0.5479"},{"Metabolite":"3-hydroxybutyrate (BHBA)","NACH-00282":"0.8974","NACH-00283":"3.8078","NACH-00284":"0.4013","NACH-00285":"1.1844","NACH-00286":"9.2352","NACH-00287":"0.3172","NACH-00288":"1","NACH-00289":"1.129","NACH-00290":"0.7348","NACH-00291":"0.3172","NACH-00292":"4.8249","NACH-00293":"0.4225"},{"Metabolite":"3-hydroxyisobutyrate","NACH-00282":"0.0954","NACH-00283":"1.1091","NACH-00284":"0.2854","NACH-00285":"0.0954","NACH-00286":"2.1056","NACH-00287":"0.0954","NACH-00288":"0.0954","NACH-00289":"1.4713","NACH-00290":"0.0954","NACH-00291":"0.0954","NACH-00292":"0.8909","NACH-00293":"0.0954"},{"Metabolite":"3-hydroxysebacate","NACH-00282":"0.2996","NACH-00283":"0.4538","NACH-00284":"1.0432","NACH-00285":"1.7432","NACH-00286":"0.811","NACH-00287":"4.597","NACH-00288":"0.9541","NACH-00289":"0.8354","NACH-00290":"1.5673","NACH-00291":"1.1738","NACH-00292":"0.9568","NACH-00293":"1.3728"},{"Metabolite":"3-hydroxysuberate","NACH-00282":"0.5453","NACH-00283":"0.6974","NACH-00284":"0.8694","NACH-00285":"0.8298","NACH-00286":"0.2269","NACH-00287":"2.5593","NACH-00288":"1.2734","NACH-00289":"1.11","NACH-00290":"1.531","NACH-00291":"1.2377","NACH-00292":"0.89","NACH-00293":"1.8607"},{"Metabolite":"3-hydroxyvalerate","NACH-00282":"0.5097","NACH-00283":"2.391","NACH-00284":"0.5097","NACH-00285":"0.5097","NACH-00286":"3.8952","NACH-00287":"0.5097","NACH-00288":"0.6316","NACH-00289":"1.5431","NACH-00290":"0.7393","NACH-00291":"0.6584","NACH-00292":"1.7896","NACH-00293":"1"},{"Metabolite":"3-methyl-2-oxobutyrate","NACH-00282":"1.3907","NACH-00283":"0.6937","NACH-00284":"0.8356","NACH-00285":"1.2184","NACH-00286":"0.6156","NACH-00287":"2.3118","NACH-00288":"0.7728","NACH-00289":"1.5136","NACH-00290":"1.9612","NACH-00291":"1.001","NACH-00292":"0.7151","NACH-00293":"0.999"},{"Metabolite":"6-oxopiperidine-2-carboxylate","NACH-00282":"0.4946","NACH-00283":"1.0523","NACH-00284":"0.366","NACH-00285":"0.366","NACH-00286":"1.3355","NACH-00287":"1.5318","NACH-00288":"0.366","NACH-00289":"0.4349","NACH-00290":"0.9477","NACH-00291":"1.4302","NACH-00292":"1.2875","NACH-00293":"0.8336"},{"Metabolite":"allantoin","NACH-00282":"0.2129","NACH-00283":"3.6148","NACH-00284":"0.4853","NACH-00285":"18.6256","NACH-00286":"6.7469","NACH-00287":"0.3088","NACH-00288":"0.3411","NACH-00289":"1.5147","NACH-00290":"0.1985","NACH-00291":"2.2336","NACH-00292":"2.4319","NACH-00293":"0.1961"},{"Metabolite":"allo-threonine","NACH-00282":"2.2458","NACH-00283":"0.2881","NACH-00284":"1.173","NACH-00285":"1","NACH-00286":"0.2881","NACH-00287":"2.6492","NACH-00288":"0.2881","NACH-00289":"0.2881","NACH-00290":"0.2881","NACH-00291":"0.9056","NACH-00292":"0.2881","NACH-00293":"0.9288"},{"Metabolite":"alpha-hydroxyisovalerate","NACH-00282":"0.5515","NACH-00283":"2.0107","NACH-00284":"0.9011","NACH-00285":"1.0097","NACH-00286":"4.0832","NACH-00287":"0.9903","NACH-00288":"1.1469","NACH-00289":"1.8037","NACH-00290":"0.8678","NACH-00291":"0.8131","NACH-00292":"2.2399","NACH-00293":"0.9307"},{"Metabolite":"alpha-ketoglutaramate*","NACH-00282":"0.9331","NACH-00283":"0.5434","NACH-00284":"0.8261","NACH-00285":"1.047","NACH-00286":"1.1252","NACH-00287":"1.4586","NACH-00288":"0.6649","NACH-00289":"1.8934","NACH-00290":"1.1193","NACH-00291":"0.9837","NACH-00292":"0.8048","NACH-00293":"1.0163"},{"Metabolite":"alpha-ketoglutarate","NACH-00282":"1.4511","NACH-00283":"0.508","NACH-00284":"0.5878","NACH-00285":"1.188","NACH-00286":"0.7094","NACH-00287":"3.1462","NACH-00288":"0.915","NACH-00289":"0.6267","NACH-00290":"2.3349","NACH-00291":"1.2779","NACH-00292":"0.5","NACH-00293":"1.085"},{"Metabolite":"arabinose","NACH-00282":"0.5085","NACH-00283":"0.5085","NACH-00284":"0.5085","NACH-00285":"4.7183","NACH-00286":"0.5085","NACH-00287":"14.3838","NACH-00288":"0.7828","NACH-00289":"0.5085","NACH-00290":"0.5085","NACH-00291":"1.2172","NACH-00292":"0.5702","NACH-00293":"0.5085"},{"Metabolite":"arabonate/xylonate","NACH-00282":"0.5679","NACH-00283":"2.5626","NACH-00284":"0.6123","NACH-00285":"1.9403","NACH-00286":"7.644","NACH-00287":"1.1714","NACH-00288":"0.4598","NACH-00289":"1.1673","NACH-00290":"0.3887","NACH-00291":"0.8327","NACH-00292":"2.105","NACH-00293":"0.4452"},{"Metabolite":"ascorbic acid 3-sulfate*","NACH-00282":"0.1333","NACH-00283":"1","NACH-00284":"0.1333","NACH-00285":"10.3107","NACH-00286":"3.1906","NACH-00287":"0.2026","NACH-00288":"0.1333","NACH-00289":"0.1333","NACH-00290":"0.1333","NACH-00291":"1.3112","NACH-00292":"0.5534","NACH-00293":"0.1333"},{"Metabolite":"beta-hydroxyisovalerate","NACH-00282":"0.9104","NACH-00283":"1.3766","NACH-00284":"1.5978","NACH-00285":"0.7708","NACH-00286":"2.1193","NACH-00287":"1.0866","NACH-00288":"0.671","NACH-00289":"2.8701","NACH-00290":"0.8153","NACH-00291":"0.5317","NACH-00292":"1.1757","NACH-00293":"0.9134"},{"Metabolite":"dimethylmalonic acid","NACH-00282":"1.4187","NACH-00283":"1.2243","NACH-00284":"1.0842","NACH-00285":"0.9158","NACH-00286":"0.6216","NACH-00287":"1.6094","NACH-00288":"0.6231","NACH-00289":"0.4714","NACH-00290":"0.3693","NACH-00291":"1.5305","NACH-00292":"0.7984","NACH-00293":"1.2702"},{"Metabolite":"erythronate*","NACH-00282":"0.7058","NACH-00283":"2.215","NACH-00284":"0.6341","NACH-00285":"1.9476","NACH-00286":"6.0356","NACH-00287":"1.505","NACH-00288":"0.3947","NACH-00289":"0.7027","NACH-00290":"0.3598","NACH-00291":"1.2942","NACH-00292":"1.6439","NACH-00293":"0.586"},{"Metabolite":"ethylmalonate","NACH-00282":"1.1858","NACH-00283":"1.9682","NACH-00284":"0.6732","NACH-00285":"4.7713","NACH-00286":"4.4255","NACH-00287":"5.1485","NACH-00288":"0.5025","NACH-00289":"0.3496","NACH-00290":"0.5085","NACH-00291":"0.4057","NACH-00292":"1.6308","NACH-00293":"0.8142"},{"Metabolite":"fructose","NACH-00282":"1.3102","NACH-00283":"3.1282","NACH-00284":"0.5628","NACH-00285":"1.1066","NACH-00286":"3.6847","NACH-00287":"1.8446","NACH-00288":"0.5304","NACH-00289":"0.6698","NACH-00290":"0.9911","NACH-00291":"1.0089","NACH-00292":"0.8957","NACH-00293":"0.5813"},{"Metabolite":"fucose","NACH-00282":"0.6382","NACH-00283":"4.2551","NACH-00284":"0.9479","NACH-00285":"2.2451","NACH-00286":"12.2988","NACH-00287":"0.651","NACH-00288":"0.7824","NACH-00289":"1.2256","NACH-00290":"0.6262","NACH-00291":"1.0521","NACH-00292":"6.3151","NACH-00293":"0.5724"},{"Metabolite":"fumarate","NACH-00282":"0.7448","NACH-00283":"2.9546","NACH-00284":"1.2552","NACH-00285":"3.4251","NACH-00286":"8.9181","NACH-00287":"2.3228","NACH-00288":"0.5725","NACH-00289":"0.479","NACH-00290":"0.3284","NACH-00291":"0.4607","NACH-00292":"1.8215","NACH-00293":"0.3981"},{"Metabolite":"galactitol (dulcitol)","NACH-00282":"1.1258","NACH-00283":"2.4907","NACH-00284":"0.3059","NACH-00285":"6.2612","NACH-00286":"4.8613","NACH-00287":"2.092","NACH-00288":"0.3831","NACH-00289":"0.5584","NACH-00290":"0.8708","NACH-00291":"0.8742","NACH-00292":"1.3209","NACH-00293":"0.4757"},{"Metabolite":"galactonate","NACH-00282":"0.089","NACH-00283":"2.4694","NACH-00284":"0.089","NACH-00285":"1.4278","NACH-00286":"6.5931","NACH-00287":"0.8433","NACH-00288":"0.089","NACH-00289":"0.1224","NACH-00290":"0.089","NACH-00291":"0.2911","NACH-00292":"1.1567","NACH-00293":"0.089"},{"Metabolite":"gluconate","NACH-00282":"0.5757","NACH-00283":"5.9376","NACH-00284":"0.1632","NACH-00285":"0.7528","NACH-00286":"30.652","NACH-00287":"2.5345","NACH-00288":"0.1632","NACH-00289":"0.1632","NACH-00290":"0.1632","NACH-00291":"0.3579","NACH-00292":"1.2472","NACH-00293":"0.1632"},{"Metabolite":"glucose","NACH-00282":"2.1993","NACH-00283":"0.7002","NACH-00284":"1.0156","NACH-00285":"1.2303","NACH-00286":"0.5407","NACH-00287":"1.7994","NACH-00288":"0.977","NACH-00289":"0.6565","NACH-00290":"1.3943","NACH-00291":"1.2646","NACH-00292":"0.654","NACH-00293":"0.9844"},{"Metabolite":"glucose 6-phosphate","NACH-00282":"0.0425","NACH-00283":"0.0425","NACH-00284":"0.0425","NACH-00285":"0.0425","NACH-00286":"1.9575","NACH-00287":"0.0425","NACH-00288":"0.0425","NACH-00289":"0.0425","NACH-00290":"0.0425","NACH-00291":"0.0425","NACH-00292":"0.0425","NACH-00293":"0.0425"},{"Metabolite":"glucuronate","NACH-00282":"0.8138","NACH-00283":"2.0929","NACH-00284":"0.715","NACH-00285":"1.9313","NACH-00286":"3.2336","NACH-00287":"1.3823","NACH-00288":"0.6763","NACH-00289":"1.2066","NACH-00290":"0.8128","NACH-00291":"0.7198","NACH-00292":"1.1862","NACH-00293":"0.6685"},{"Metabolite":"glutarate (C5-DC)","NACH-00282":"1.5409","NACH-00283":"1.2545","NACH-00284":"0.8367","NACH-00285":"5.6123","NACH-00286":"3.3564","NACH-00287":"8.9382","NACH-00288":"0.7658","NACH-00289":"0.6367","NACH-00290":"0.9926","NACH-00291":"0.8408","NACH-00292":"1.0074","NACH-00293":"0.5503"},{"Metabolite":"glycerate","NACH-00282":"1.1456","NACH-00283":"2.8604","NACH-00284":"0.6968","NACH-00285":"1.521","NACH-00286":"4.0046","NACH-00287":"3.0453","NACH-00288":"0.3484","NACH-00289":"0.7001","NACH-00290":"0.6923","NACH-00291":"0.8544","NACH-00292":"1.8103","NACH-00293":"0.7418"},{"Metabolite":"glycerophosphoglycerol","NACH-00282":"0.6534","NACH-00283":"3.9729","NACH-00284":"0.9606","NACH-00285":"1.0394","NACH-00286":"3.9679","NACH-00287":"4.0978","NACH-00288":"0.432","NACH-00289":"2.0604","NACH-00290":"0.628","NACH-00291":"0.6913","NACH-00292":"10.2247","NACH-00293":"0.5341"},{"Metabolite":"homoserine","NACH-00282":"5.0184","NACH-00283":"0.5454","NACH-00284":"0.3826","NACH-00285":"0.9454","NACH-00286":"1.8309","NACH-00287":"3.2948","NACH-00288":"1.0546","NACH-00289":"0.3744","NACH-00290":"0.5989","NACH-00291":"0.3744","NACH-00292":"0.3744","NACH-00293":"1.1781"},{"Metabolite":"inositol 1-phosphate (I1P)","NACH-00282":"0.0868","NACH-00283":"0.0868","NACH-00284":"0.0868","NACH-00285":"0.0868","NACH-00286":"1.9132","NACH-00287":"0.0868","NACH-00288":"0.0868","NACH-00289":"0.0868","NACH-00290":"0.0868","NACH-00291":"0.0868","NACH-00292":"0.0868","NACH-00293":"0.0868"},{"Metabolite":"lactate","NACH-00282":"0.6604","NACH-00283":"8.4979","NACH-00284":"1.2019","NACH-00285":"1.3658","NACH-00286":"15.9483","NACH-00287":"0.7714","NACH-00288":"0.512","NACH-00289":"2.8747","NACH-00290":"0.6178","NACH-00291":"0.4943","NACH-00292":"5.7396","NACH-00293":"0.7981"},{"Metabolite":"maltose","NACH-00282":"1.3748","NACH-00283":"0.2755","NACH-00284":"1.5432","NACH-00285":"0.9988","NACH-00286":"0.2755","NACH-00287":"1.5847","NACH-00288":"1.329","NACH-00289":"0.7255","NACH-00290":"0.9673","NACH-00291":"0.7093","NACH-00292":"0.2755","NACH-00293":"1.0012"},{"Metabolite":"mannitol/sorbitol","NACH-00282":"2.8528","NACH-00283":"2.129","NACH-00284":"0.6767","NACH-00285":"1.2986","NACH-00286":"3.7155","NACH-00287":"2.2402","NACH-00288":"0.552","NACH-00289":"0.4951","NACH-00290":"1.0675","NACH-00291":"0.9325","NACH-00292":"0.6673","NACH-00293":"0.5509"},{"Metabolite":"mannose","NACH-00282":"1.3064","NACH-00283":"1.8268","NACH-00284":"0.9512","NACH-00285":"1.1002","NACH-00286":"2.732","NACH-00287":"1.7971","NACH-00288":"0.348","NACH-00289":"0.6908","NACH-00290":"0.6459","NACH-00291":"0.9511","NACH-00292":"1.0488","NACH-00293":"0.6183"},{"Metabolite":"methylmalonate (MMA)","NACH-00282":"1.663","NACH-00283":"3.3306","NACH-00284":"0.8555","NACH-00285":"8.4437","NACH-00286":"6.8266","NACH-00287":"5.8193","NACH-00288":"0.9953","NACH-00289":"0.5165","NACH-00290":"0.7264","NACH-00291":"1.0047","NACH-00292":"0.935","NACH-00293":"0.9189"},{"Metabolite":"methylsuccinate","NACH-00282":"0.8874","NACH-00283":"1.5797","NACH-00284":"0.7069","NACH-00285":"3.9373","NACH-00286":"2.8081","NACH-00287":"4.6206","NACH-00288":"0.7711","NACH-00289":"0.767","NACH-00290":"0.7594","NACH-00291":"1.443","NACH-00292":"1.1126","NACH-00293":"0.7115"},{"Metabolite":"mevalonate","NACH-00282":"0.5809","NACH-00283":"1.2527","NACH-00284":"0.9359","NACH-00285":"1","NACH-00286":"2.2611","NACH-00287":"1.0189","NACH-00288":"0.7193","NACH-00289":"0.5809","NACH-00290":"0.5809","NACH-00291":"0.5809","NACH-00292":"1.4389","NACH-00293":"0.8258"},{"Metabolite":"myo-inositol","NACH-00282":"0.7106","NACH-00283":"10.9189","NACH-00284":"1.0088","NACH-00285":"1.6569","NACH-00286":"7.9812","NACH-00287":"0.8722","NACH-00288":"0.7706","NACH-00289":"6.477","NACH-00290":"0.7565","NACH-00291":"0.9912","NACH-00292":"5.435","NACH-00293":"0.9471"},{"Metabolite":"N-acetylalanine","NACH-00282":"1.2536","NACH-00283":"5.0868","NACH-00284":"0.8347","NACH-00285":"0.8776","NACH-00286":"7.5523","NACH-00287":"1.2014","NACH-00288":"0.5902","NACH-00289":"1.1224","NACH-00290":"0.6853","NACH-00291":"0.8368","NACH-00292":"3.4826","NACH-00293":"0.6033"},{"Metabolite":"N-acetylaspartate (NAA)","NACH-00282":"0.4815","NACH-00283":"1.0039","NACH-00284":"0.2422","NACH-00285":"0.9961","NACH-00286":"2.0137","NACH-00287":"2.1334","NACH-00288":"0.3992","NACH-00289":"0.2632","NACH-00290":"0.5516","NACH-00291":"5.3774","NACH-00292":"2.9918","NACH-00293":"2.561"},{"Metabolite":"N-carbamoylaspartate","NACH-00282":"1.5059","NACH-00283":"2.7519","NACH-00284":"0.6275","NACH-00285":"1.7199","NACH-00286":"11.588","NACH-00287":"6.2427","NACH-00288":"0.2145","NACH-00289":"0.0888","NACH-00290":"0.393","NACH-00291":"0.8377","NACH-00292":"1.1623","NACH-00293":"0.4138"},{"Metabolite":"N-formylanthranilic acid","NACH-00282":"1.3841","NACH-00283":"0.9947","NACH-00284":"0.851","NACH-00285":"2.1937","NACH-00286":"1.2689","NACH-00287":"1.0123","NACH-00288":"0.9547","NACH-00289":"1.3595","NACH-00290":"0.9666","NACH-00291":"1.0053","NACH-00292":"0.9411","NACH-00293":"0.8893"},{"Metabolite":"orotate","NACH-00282":"0.9472","NACH-00283":"5.4108","NACH-00284":"0.6764","NACH-00285":"3.3426","NACH-00286":"8.9319","NACH-00287":"2.4726","NACH-00288":"0.3772","NACH-00289":"0.537","NACH-00290":"0.4687","NACH-00291":"1.0528","NACH-00292":"1.5288","NACH-00293":"0.3674"},{"Metabolite":"orotidine","NACH-00282":"0.146","NACH-00283":"5.3582","NACH-00284":"0.146","NACH-00285":"1.3076","NACH-00286":"6.5653","NACH-00287":"0.196","NACH-00288":"0.1527","NACH-00289":"0.6924","NACH-00290":"0.146","NACH-00291":"0.146","NACH-00292":"9.0091","NACH-00293":"0.146"},{"Metabolite":"pantoate","NACH-00282":"6.3489","NACH-00283":"0.4635","NACH-00284":"1.0598","NACH-00285":"1.2913","NACH-00286":"0.4146","NACH-00287":"0.948","NACH-00288":"1.0248","NACH-00289":"0.9752","NACH-00290":"0.676","NACH-00291":"1.6026","NACH-00292":"0.8246","NACH-00293":"1.1094"},{"Metabolite":"pimelate (C7-DC)","NACH-00282":"0.7625","NACH-00283":"0.7625","NACH-00284":"0.7625","NACH-00285":"0.7625","NACH-00286":"0.7625","NACH-00287":"0.8664","NACH-00288":"1.0066","NACH-00289":"0.8117","NACH-00290":"1.3211","NACH-00291":"1.2989","NACH-00292":"1.5149","NACH-00293":"0.9934"},{"Metabolite":"pyruvate","NACH-00282":"0.9292","NACH-00283":"0.6458","NACH-00284":"1.0708","NACH-00285":"0.4908","NACH-00286":"0.3556","NACH-00287":"1.1543","NACH-00288":"1.2572","NACH-00289":"1.1749","NACH-00290":"1.4095","NACH-00291":"0.6164","NACH-00292":"0.7959","NACH-00293":"1.2114"},{"Metabolite":"quinate","NACH-00282":"0.933","NACH-00283":"0.8667","NACH-00284":"1","NACH-00285":"0.8461","NACH-00286":"0.3643","NACH-00287":"3.108","NACH-00288":"0.4559","NACH-00289":"0.3643","NACH-00290":"1.032","NACH-00291":"1.5818","NACH-00292":"1.773","NACH-00293":"1.5555"},{"Metabolite":"ribonate","NACH-00282":"1.3591","NACH-00283":"1.0503","NACH-00284":"0.4599","NACH-00285":"1.8854","NACH-00286":"5.0351","NACH-00287":"0.8371","NACH-00288":"0.3579","NACH-00289":"0.3579","NACH-00290":"0.3579","NACH-00291":"0.9497","NACH-00292":"0.3579","NACH-00293":"0.3579"},{"Metabolite":"ribose","NACH-00282":"1.8274","NACH-00283":"0.9908","NACH-00284":"0.7689","NACH-00285":"1.6574","NACH-00286":"0.6898","NACH-00287":"3.0821","NACH-00288":"1.0173","NACH-00289":"0.5311","NACH-00290":"1.0092","NACH-00291":"1.3554","NACH-00292":"0.5582","NACH-00293":"0.7816"},{"Metabolite":"ribulonate/xylulonate/lyxonate*","NACH-00282":"0.4113","NACH-00283":"7.2892","NACH-00284":"0.312","NACH-00285":"1.8237","NACH-00286":"13.22","NACH-00287":"0.7815","NACH-00288":"0.2809","NACH-00289":"1.2185","NACH-00290":"0.2809","NACH-00291":"0.5999","NACH-00292":"4.8951","NACH-00293":"0.2809"},{"Metabolite":"ribulose/xylulose","NACH-00282":"1.4899","NACH-00283":"1.5549","NACH-00284":"0.5756","NACH-00285":"1.0124","NACH-00286":"0.7955","NACH-00287":"2.0878","NACH-00288":"0.6567","NACH-00289":"2.8017","NACH-00290":"0.8643","NACH-00291":"0.5876","NACH-00292":"0.9973","NACH-00293":"1.0027"},{"Metabolite":"salicylate","NACH-00282":"0.6728","NACH-00283":"0.6728","NACH-00284":"0.852","NACH-00285":"0.6728","NACH-00286":"1.148","NACH-00287":"0.6728","NACH-00288":"1.2135","NACH-00289":"1.2551","NACH-00290":"0.6728","NACH-00291":"0.7873","NACH-00292":"0.6728","NACH-00293":"0.6728"},{"Metabolite":"sedoheptulose","NACH-00282":"1.1353","NACH-00283":"1.8667","NACH-00284":"0.5287","NACH-00285":"0.8865","NACH-00286":"3.0028","NACH-00287":"1.7371","NACH-00288":"0.4642","NACH-00289":"1.1135","NACH-00290":"0.5666","NACH-00291":"0.6893","NACH-00292":"1.4054","NACH-00293":"0.5175"},{"Metabolite":"suberate (C8-DC)","NACH-00282":"0.1882","NACH-00283":"0.2561","NACH-00284":"0.4475","NACH-00285":"0.4299","NACH-00286":"0.3364","NACH-00287":"0.6013","NACH-00288":"1.3987","NACH-00289":"1.6288","NACH-00290":"1.7735","NACH-00291":"2.1375","NACH-00292":"1.7485","NACH-00293":"1.5239"},{"Metabolite":"succinate","NACH-00282":"2.1406","NACH-00283":"0.2673","NACH-00284":"2.0375","NACH-00285":"14.4029","NACH-00286":"0.5459","NACH-00287":"24.3643","NACH-00288":"1.2633","NACH-00289":"0.3141","NACH-00290":"1.3159","NACH-00291":"0.7367","NACH-00292":"0.3325","NACH-00293":"0.7334"},{"Metabolite":"succinimide","NACH-00282":"1.0447","NACH-00283":"0.4915","NACH-00284":"1.2397","NACH-00285":"1.0286","NACH-00286":"0.6697","NACH-00287":"1.5732","NACH-00288":"0.93","NACH-00289":"1.0099","NACH-00290":"0.9901","NACH-00291":"0.9319","NACH-00292":"0.5249","NACH-00293":"1.39"},{"Metabolite":"succinoyltaurine","NACH-00282":"1.2542","NACH-00283":"0.6977","NACH-00284":"0.66","NACH-00285":"1.6223","NACH-00286":"0.7164","NACH-00287":"3.0546","NACH-00288":"1.0654","NACH-00289":"0.5186","NACH-00290":"1.5422","NACH-00291":"0.8106","NACH-00292":"0.9346","NACH-00293":"1.4666"},{"Metabolite":"sucrose","NACH-00282":"0.9595","NACH-00283":"0.4474","NACH-00284":"1.3088","NACH-00285":"0.5954","NACH-00286":"0.441","NACH-00287":"6.9654","NACH-00288":"0.8413","NACH-00289":"1.0405","NACH-00290":"2.5615","NACH-00291":"0.441","NACH-00292":"0.441","NACH-00293":"1.6215"},{"Metabolite":"threonate","NACH-00282":"0.6337","NACH-00283":"12.792","NACH-00284":"0.6621","NACH-00285":"2.4043","NACH-00286":"25.0327","NACH-00287":"0.9932","NACH-00288":"0.7459","NACH-00289":"5.2472","NACH-00290":"0.5534","NACH-00291":"1.0068","NACH-00292":"10.5204","NACH-00293":"0.6922"},{"Metabolite":"xylose","NACH-00282":"1.7042","NACH-00283":"0.834","NACH-00284":"1.0937","NACH-00285":"7.8987","NACH-00286":"0.2332","NACH-00287":"12.1085","NACH-00288":"0.4935","NACH-00289":"0.4333","NACH-00290":"1.2328","NACH-00291":"3.284","NACH-00292":"0.2077","NACH-00293":"0.9063"}],

"Metabolites":[{"Metabolite":"2,3-dihydroxyisovalerate","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","CHEMICAL_ID":"100002417","RI":"1050","MASS":"133.05063","CAS":"1756-18-9","PUBCHEM":"677","CHEMSPIDER":"657","KEGG":"C04039","HMDB_ID":"HMDB12141"},{"Metabolite":"2-hydroxy-4-(methylthio)butanoic acid","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","CHEMICAL_ID":"100021372","RI":"1065","MASS":"149.02778","CAS":"583-91-5","PUBCHEM":"","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"2-hydroxybutyrate/2-hydroxyisobutyrate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutathione Metabolism","CHEMICAL_ID":"100008928","RI":"1258","MASS":"103.04006","CAS":"","PUBCHEM":"","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"2-hydroxyheptanoate*","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","CHEMICAL_ID":"100019960","RI":"925","MASS":"145.08701","CAS":"","PUBCHEM":"2750949","CHEMSPIDER":"2032206","KEGG":"","HMDB_ID":""},{"Metabolite":"2-hydroxylignocerate*","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","CHEMICAL_ID":"100019894","RI":"710","MASS":"383.35307","CAS":"","PUBCHEM":"102430","CHEMSPIDER":"92507","KEGG":"C17873","HMDB_ID":"HMDB39540"},{"Metabolite":"2-isopropylmalate","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","CHEMICAL_ID":"100000409","RI":"2605","MASS":"175.06119","CAS":"3237-44-3","PUBCHEM":"77","CHEMSPIDER":"76","KEGG":"C02504","HMDB_ID":"HMDB00402"},{"Metabolite":"2R,3R-dihydroxybutyrate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","CHEMICAL_ID":"100002367","RI":"1543","MASS":"119.03498","CAS":"759-06-8","PUBCHEM":"","CHEMSPIDER":"17215960","KEGG":"","HMDB_ID":"HMDB00498"},{"Metabolite":"2S,3R-dihydroxybutyrate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","CHEMICAL_ID":"100002284","RI":"1660","MASS":"119.03498","CAS":"5057-93-2","PUBCHEM":"10964471","CHEMSPIDER":"9139682","KEGG":"","HMDB_ID":"HMDB02453"},{"Metabolite":"3,4-dihydroxybutyrate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","CHEMICAL_ID":"100001730","RI":"2204","MASS":"119.03498","CAS":"51267-44-8","PUBCHEM":"","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"3-hydroxy-3-methylglutarate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Mevalonate Metabolism","CHEMICAL_ID":"112","RI":"2850","MASS":"161.04555","CAS":"503-49-1","PUBCHEM":"1662","CHEMSPIDER":"4573695","KEGG":"C03761","HMDB_ID":"HMDB00355"},{"Metabolite":"3-hydroxybutyrate (BHBA)","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Ketone Bodies","CHEMICAL_ID":"254","RI":"1480","MASS":"103.04007","CAS":"625-72-9","PUBCHEM":"441","CHEMSPIDER":"428","KEGG":"C01089","HMDB_ID":"HMDB00357"},{"Metabolite":"3-hydroxyisobutyrate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","CHEMICAL_ID":"111","RI":"1619","MASS":"103.04007","CAS":"2068-83-9","PUBCHEM":"87","CHEMSPIDER":"10140307","KEGG":"C06001","HMDB_ID":"HMDB00336"},{"Metabolite":"3-hydroxysebacate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","CHEMICAL_ID":"100001145","RI":"2411","MASS":"217.10814","CAS":"73141-46-5","PUBCHEM":"3017884","CHEMSPIDER":"2285525","KEGG":"","HMDB_ID":"HMDB00350"},{"Metabolite":"3-hydroxysuberate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","CHEMICAL_ID":"100001143","RI":"3000","MASS":"189.07684","CAS":"73141-47-6","PUBCHEM":"22328017","CHEMSPIDER":"13498677","KEGG":"","HMDB_ID":"HMDB00325"},{"Metabolite":"3-hydroxyvalerate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","CHEMICAL_ID":"100002459","RI":"1241","MASS":"117.05571","CAS":"10237-77-1","PUBCHEM":"107802","CHEMSPIDER":"96952","KEGG":"","HMDB_ID":"HMDB00531"},{"Metabolite":"3-methyl-2-oxobutyrate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","CHEMICAL_ID":"100000936","RI":"911","MASS":"115.04006","CAS":"3715-29-5","PUBCHEM":"49","CHEMSPIDER":"48","KEGG":"C00141","HMDB_ID":"HMDB00019"},{"Metabolite":"6-oxopiperidine-2-carboxylate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","CHEMICAL_ID":"100004499","RI":"1692","MASS":"142.05096","CAS":"34622-39-4","PUBCHEM":"3014237","CHEMSPIDER":"2282737","KEGG":"","HMDB_ID":"HMDB61705"},{"Metabolite":"allantoin","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, (Hypo)Xanthine/Inosine containing","CHEMICAL_ID":"1002","RI":"1672","MASS":"157.03671","CAS":"97-59-6","PUBCHEM":"204","CHEMSPIDER":"199","KEGG":"C02350","HMDB_ID":"HMDB00462"},{"Metabolite":"allo-threonine","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glycine, Serine and Threonine Metabolism","CHEMICAL_ID":"100000272","RI":"2511.1","MASS":"118.05096","CAS":"28954-12-3","PUBCHEM":"99289","CHEMSPIDER":"89699","KEGG":"C05519","HMDB_ID":"HMDB04041"},{"Metabolite":"alpha-hydroxyisovalerate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","CHEMICAL_ID":"100001300","RI":"1052","MASS":"117.05571","CAS":"600-37-3","PUBCHEM":"99823","CHEMSPIDER":"90190","KEGG":"","HMDB_ID":"HMDB00407"},{"Metabolite":"alpha-ketoglutaramate*","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutamate Metabolism","CHEMICAL_ID":"100002397","RI":"1916","MASS":"144.03023","CAS":"18465-19-5","PUBCHEM":"","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"alpha-ketoglutarate","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","CHEMICAL_ID":"93","RI":"2700","MASS":"145.01425","CAS":"305-72-6;328-50-7;22202-68-2","PUBCHEM":"51","CHEMSPIDER":"50","KEGG":"C00026","HMDB_ID":"HMDB00208"},{"Metabolite":"arabinose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"828","RI":"1804.5","MASS":"195.05103","CAS":"28697-53-2","PUBCHEM":"66308","CHEMSPIDER":"59687","KEGG":"C00216","HMDB_ID":"HMDB00646"},{"Metabolite":"arabonate/xylonate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"100006115","RI":"2700","MASS":"165.04046","CAS":"","PUBCHEM":"","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"ascorbic acid 3-sulfate*","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","CHEMICAL_ID":"100020409","RI":"2025","MASS":"254.98146","CAS":"","PUBCHEM":"11425365","CHEMSPIDER":"9600241","KEGG":"","HMDB_ID":""},{"Metabolite":"beta-hydroxyisovalerate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","CHEMICAL_ID":"1442","RI":"1149.8","MASS":"117.05572","CAS":"625-08-1","PUBCHEM":"69362","CHEMSPIDER":"62571","KEGG":"","HMDB_ID":"HMDB00754"},{"Metabolite":"dimethylmalonic acid","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","CHEMICAL_ID":"100004251","RI":"2702","MASS":"131.03498","CAS":"595-46-0","PUBCHEM":"11686","CHEMSPIDER":"11195","KEGG":"","HMDB_ID":"HMDB02001"},{"Metabolite":"erythronate*","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Aminosugar Metabolism","CHEMICAL_ID":"100001320","RI":"2186","MASS":"135.02989","CAS":"88759-55-1","PUBCHEM":"2781043","CHEMSPIDER":"2061231","KEGG":"","HMDB_ID":"HMDB00613"},{"Metabolite":"ethylmalonate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","CHEMICAL_ID":"2054","RI":"2785","MASS":"131.03498","CAS":"601-75-2","PUBCHEM":"11756","CHEMSPIDER":"11263","KEGG":"","HMDB_ID":"HMDB00622"},{"Metabolite":"fructose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","CHEMICAL_ID":"878","RI":"2065","MASS":"225.06159","CAS":"57-48-7","PUBCHEM":"5984","CHEMSPIDER":"5764","KEGG":"C00095","HMDB_ID":"HMDB00660"},{"Metabolite":"fucose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Aminosugar Metabolism","CHEMICAL_ID":"918","RI":"1626.4","MASS":"209.0667","CAS":"2438-80-4","PUBCHEM":"17106","CHEMSPIDER":"2299091","KEGG":"C01018","HMDB_ID":"HMDB00174"},{"Metabolite":"fumarate","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","CHEMICAL_ID":"330","RI":"3084","MASS":"115.00368","CAS":"100-17-8","PUBCHEM":"444972","CHEMSPIDER":"10197150","KEGG":"C00122","HMDB_ID":"HMDB00134"},{"Metabolite":"galactitol (dulcitol)","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","CHEMICAL_ID":"1003","RI":"2360","MASS":"181.07176","CAS":"608-66-2","PUBCHEM":"11850","CHEMSPIDER":"11357","KEGG":"C01697","HMDB_ID":"HMDB00107"},{"Metabolite":"galactonate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","CHEMICAL_ID":"100001026","RI":"3085","MASS":"195.05102","CAS":"299-28-5","PUBCHEM":"128869","CHEMSPIDER":"114198","KEGG":"C00880","HMDB_ID":"HMDB00565"},{"Metabolite":"gluconate","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","CHEMICAL_ID":"338","RI":"2922","MASS":"195.05102","CAS":"527-07-1","PUBCHEM":"10690","CHEMSPIDER":"10240","KEGG":"C00257","HMDB_ID":"HMDB00625"},{"Metabolite":"glucose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","CHEMICAL_ID":"572","RI":"2342","MASS":"225.06159","CAS":"50-99-7","PUBCHEM":"5793","CHEMSPIDER":"71358","KEGG":"C00031","HMDB_ID":"HMDB00122"},{"Metabolite":"glucose 6-phosphate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","CHEMICAL_ID":"291","RI":"4537","MASS":"259.02244","CAS":"103192-55-8","PUBCHEM":"5958","CHEMSPIDER":"19952394","KEGG":"C00668","HMDB_ID":"HMDB01401"},{"Metabolite":"glucuronate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Aminosugar Metabolism","CHEMICAL_ID":"100000257","RI":"3233.3","MASS":"193.03537","CAS":"207300-70-7","PUBCHEM":"444791","CHEMSPIDER":"58552","KEGG":"C00191","HMDB_ID":"HMDB00127"},{"Metabolite":"glutarate (C5-DC)","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","CHEMICAL_ID":"339","RI":"2900","MASS":"131.03498","CAS":"110-94-1","PUBCHEM":"743","CHEMSPIDER":"3618533","KEGG":"C00489","HMDB_ID":"HMDB00661"},{"Metabolite":"glycerate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","CHEMICAL_ID":"1052","RI":"2070.4","MASS":"105.01933","CAS":"600-19-1","PUBCHEM":"752","CHEMSPIDER":"732","KEGG":"C00258","HMDB_ID":"HMDB00139"},{"Metabolite":"glycerophosphoglycerol","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Glycerolipid Metabolism","CHEMICAL_ID":"100001619","RI":"2430","MASS":"245.04317","CAS":"","PUBCHEM":"439964","CHEMSPIDER":"388990","KEGG":"C03274","HMDB_ID":""},{"Metabolite":"homoserine","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glycine, Serine and Threonine Metabolism","CHEMICAL_ID":"100000458","RI":"2875.8","MASS":"118.05096","CAS":"672-15-1","PUBCHEM":"12647","CHEMSPIDER":"12126","KEGG":"C00263","HMDB_ID":"HMDB00719"},{"Metabolite":"inositol 1-phosphate (I1P)","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Inositol Metabolism","CHEMICAL_ID":"370","RI":"4785","MASS":"259.02244","CAS":"573-35-3;106032-59-1","PUBCHEM":"440194","CHEMSPIDER":"17215924","KEGG":"C01177","HMDB_ID":"HMDB00213"},{"Metabolite":"lactate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","CHEMICAL_ID":"482","RI":"1468.8","MASS":"89.02442","CAS":"79-33-4","PUBCHEM":"612","CHEMSPIDER":"592","KEGG":"C00186","HMDB_ID":"HMDB00190"},{"Metabolite":"maltose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycogen Metabolism","CHEMICAL_ID":"913","RI":"3329.4","MASS":"387.11442","CAS":"6363-53-7","PUBCHEM":"10991489","CHEMSPIDER":"388469","KEGG":"C00208","HMDB_ID":"HMDB00163"},{"Metabolite":"mannitol/sorbitol","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","CHEMICAL_ID":"100001740","RI":"2320","MASS":"181.07176","CAS":"","PUBCHEM":"5780","CHEMSPIDER":"440","KEGG":"C00794","HMDB_ID":"HMDB00247"},{"Metabolite":"mannose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","CHEMICAL_ID":"803","RI":"2200","MASS":"225.06159","CAS":"3458-28-4","PUBCHEM":"18950","CHEMSPIDER":"141983","KEGG":"C00159","HMDB_ID":"HMDB00169"},{"Metabolite":"methylmalonate (MMA)","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (also BCAA Metabolism)","CHEMICAL_ID":"418","RI":"3078.4","MASS":"117.01933","CAS":"516-05-2","PUBCHEM":"487","CHEMSPIDER":"473","KEGG":"C02170","HMDB_ID":"HMDB00202"},{"Metabolite":"methylsuccinate","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","CHEMICAL_ID":"2051","RI":"2800","MASS":"131.03498","CAS":"498-21-5","PUBCHEM":"10349","CHEMSPIDER":"9922","KEGG":"","HMDB_ID":"HMDB01844"},{"Metabolite":"mevalonate","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Mevalonate Metabolism","CHEMICAL_ID":"30","RI":"1462","MASS":"147.06628","CAS":"96949-03-0","PUBCHEM":"439230","CHEMSPIDER":"388367","KEGG":"C02104","HMDB_ID":"HMDB00227"},{"Metabolite":"myo-inositol","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Inositol Metabolism","CHEMICAL_ID":"363","RI":"3506.3","MASS":"225.06159","CAS":"87-89-8","PUBCHEM":"892","CHEMSPIDER":"10239179","KEGG":"C00137","HMDB_ID":"HMDB00211"},{"Metabolite":"N-acetylalanine","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Alanine and Aspartate Metabolism","CHEMICAL_ID":"1110","RI":"1564.8","MASS":"130.05096","CAS":"97-69-8","PUBCHEM":"88064","CHEMSPIDER":"79449","KEGG":"C02847","HMDB_ID":"HMDB00766"},{"Metabolite":"N-acetylaspartate (NAA)","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Alanine and Aspartate Metabolism","CHEMICAL_ID":"100000787","RI":"3143","MASS":"174.04079","CAS":"997-55-7;997-55-7","PUBCHEM":"65065","CHEMSPIDER":"58576","KEGG":"C01042","HMDB_ID":"HMDB00812"},{"Metabolite":"N-carbamoylaspartate","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","CHEMICAL_ID":"1108","RI":"3800","MASS":"175.03604","CAS":"923-37-5","PUBCHEM":"93072","CHEMSPIDER":"4573859","KEGG":"C00438","HMDB_ID":"HMDB00828"},{"Metabolite":"N-formylanthranilic acid","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","CHEMICAL_ID":"100004561","RI":"900","MASS":"164.03531","CAS":"3342-77-6","PUBCHEM":"101399","CHEMSPIDER":"91624","KEGG":"C05653","HMDB_ID":"HMDB04089"},{"Metabolite":"orotate","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","CHEMICAL_ID":"445","RI":"1638.1","MASS":"155.00983","CAS":"50887-69-9","PUBCHEM":"967","CHEMSPIDER":"942","KEGG":"C00295","HMDB_ID":"HMDB00226"},{"Metabolite":"orotidine","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","CHEMICAL_ID":"100001416","RI":"2250","MASS":"287.05209","CAS":"314-50-1","PUBCHEM":"92751","CHEMSPIDER":"83729","KEGG":"","HMDB_ID":"HMDB00788"},{"Metabolite":"pantoate","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Pantothenate and CoA Metabolism","CHEMICAL_ID":"100002613","RI":"1100","MASS":"147.06628","CAS":"470-29-1","PUBCHEM":"439251","CHEMSPIDER":"388387","KEGG":"C00522","HMDB_ID":""},{"Metabolite":"pimelate (C7-DC)","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","CHEMICAL_ID":"100000101","RI":"2745","MASS":"159.06628","CAS":"111-16-0","PUBCHEM":"385","CHEMSPIDER":"376","KEGG":"C02656","HMDB_ID":"HMDB00857"},{"Metabolite":"pyruvate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","CHEMICAL_ID":"823","RI":"1083","MASS":"87.00877","CAS":"127-17-3","PUBCHEM":"1060","CHEMSPIDER":"96901","KEGG":"C00022","HMDB_ID":"HMDB00243"},{"Metabolite":"quinate","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","CHEMICAL_ID":"100000442","RI":"2432.9","MASS":"191.05611","CAS":"77-95-2","PUBCHEM":"6508","CHEMSPIDER":"10246715","KEGG":"C00296","HMDB_ID":"HMDB03072"},{"Metabolite":"ribonate","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"100001007","RI":"2425","MASS":"165.04046","CAS":"8/3/5336","PUBCHEM":"5460677","CHEMSPIDER":"4574162","KEGG":"C01685","HMDB_ID":"HMDB00867"},{"Metabolite":"ribose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"914","RI":"1508.2","MASS":"195.05103","CAS":"50-69-1","PUBCHEM":"5779","CHEMSPIDER":"4470639","KEGG":"C00121","HMDB_ID":"HMDB00283"},{"Metabolite":"ribulonate/xylulonate/lyxonate*","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"100019968","RI":"2350","MASS":"165.04046","CAS":"","PUBCHEM":"","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"ribulose/xylulose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"100006122","RI":"1400","MASS":"195.05102","CAS":"","PUBCHEM":"5289590","CHEMSPIDER":"","KEGG":"","HMDB_ID":""},{"Metabolite":"salicylate","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Drug - Topical Agents","CHEMICAL_ID":"501","RI":"802","MASS":"137.02422","CAS":"69-72-7","PUBCHEM":"338","CHEMSPIDER":"331","KEGG":"C00805","HMDB_ID":"HMDB01895"},{"Metabolite":"sedoheptulose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"100002619","RI":"2255","MASS":"209.06667","CAS":"3019-74-7","PUBCHEM":"5459879","CHEMSPIDER":"4573620","KEGG":"","HMDB_ID":"HMDB03219"},{"Metabolite":"suberate (C8-DC)","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","CHEMICAL_ID":"100000016","RI":"2577.6","MASS":"173.08193","CAS":"505-48-6","PUBCHEM":"10457","CHEMSPIDER":"10025","KEGG":"C08278","HMDB_ID":"HMDB00893"},{"Metabolite":"succinate","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","CHEMICAL_ID":"252","RI":"3149","MASS":"117.01933","CAS":"110-15-6","PUBCHEM":"1110","CHEMSPIDER":"1078","KEGG":"C00042","HMDB_ID":"HMDB00254"},{"Metabolite":"succinimide","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","CHEMICAL_ID":"100003696","RI":"2155","MASS":"116.03532","CAS":"123-56-8","PUBCHEM":"11439","CHEMSPIDER":"10955","KEGG":"C07273","HMDB_ID":""},{"Metabolite":"succinoyltaurine","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","CHEMICAL_ID":"100021220","RI":"2572","MASS":"224.02343","CAS":"","PUBCHEM":"","CHEMSPIDER":"20509456","KEGG":"","HMDB_ID":""},{"Metabolite":"sucrose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Disaccharides and Oligosaccharides","CHEMICAL_ID":"935","RI":"3092","MASS":"387.11442","CAS":"57-50-1","PUBCHEM":"5988","CHEMSPIDER":"5768","KEGG":"C00089","HMDB_ID":"HMDB00258"},{"Metabolite":"threonate","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","CHEMICAL_ID":"100001022","RI":"2384","MASS":"135.02989","CAS":"70753-61-6","PUBCHEM":"151152","CHEMSPIDER":"133224","KEGG":"C01620","HMDB_ID":"HMDB00943"},{"Metabolite":"xylose","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","CHEMICAL_ID":"826","RI":"1727","MASS":"195.05103","CAS":"609-06-3","PUBCHEM":"135191","CHEMSPIDER":"85957","KEGG":"C00181","HMDB_ID":"HMDB00098"}]
}

}