{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003673","ANALYSIS_ID":"AN006033","PROJECT_ID":"PR002278","VERSION":"1","CREATED_ON":"January 17, 2025, 3:41 pm"},

"PROJECT":{"PROJECT_TITLE":"Identification of plasma metabolites responding to oxycodone exposure in rats.","PROJECT_SUMMARY":"Metabolomics studies of prescription opioid medications including oxycodone can provide insights into biochemical mechanisms of the addiction cycle and prognosis prediction. Although oxycodone has an elevated abuse liability profile compared to other opioids, many human and rodent metabolomics studies have not been specifically focused on oxycodone. In this study, we investigated metabolomics changes associated with oxycodone exposure using plasma samples from 16 rats at pre-exposure and intoxication time points.","INSTITUTE":"University of Colorado Anschutz Medical Campus","DEPARTMENT":"Biostatistics and Informatics","LABORATORY":"KechrisLab","LAST_NAME":"Kechris","FIRST_NAME":"Katerina","ADDRESS":"13001 E 17th Pl, Aurora, CO 80045","EMAIL":"katerina.kechris@cuanschutz.edu","PHONE":"(303)724-4363","FUNDING_SOURCE":"DA044451"},

"STUDY":{"STUDY_TITLE":"Identification of plasma metabolites responding to oxycodone exposure in rats","STUDY_SUMMARY":"Metabolomics studies of prescription opioid medications including oxycodone can provide insights into biochemical mechanisms of the addiction cycle and prognosis prediction. Although oxycodone has an elevated abuse liability profile compared to other opioids, many human and rodent metabolomics studies have not been specifically focused on oxycodone. In this study, we investigated metabolomics changes associated with oxycodone exposure using plasma samples from 16 rats at pre-exposure and intoxication time points. Among the 798 metabolites with low levels of missingness, 364 showed significant changes be-tween pre-exposure and intoxication (FDR < 0.01) including succinate, oleamide, and sarcosine. We identified four pathways including tryptophan metabolism that were nominally enriched among the metabolites that change with oxycodone exposure (p < 0.05). Furthermore, we identified sev-eral metabolites that showed nominal correlations with the Addiction Index (composite of ox-ycodone behaviors), 17 at pre-exposure and 8 at intoxication.","INSTITUTE":"University of Colorado Anschutz Medical Campus","LAST_NAME":"Kechris","FIRST_NAME":"Katerina","ADDRESS":"13001 E 17th Pl, Aurora, CO 80045","EMAIL":"katerina.kechris@cuanschutz.edu","PHONE":"(303) 724-4363"},

"SUBJECT":{"SUBJECT_TYPE":"Other organism","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10116"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"F1417",
"Sample ID":"UNCO-05151",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1423",
"Sample ID":"UNCO-05152",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1422",
"Sample ID":"UNCO-05153",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1421",
"Sample ID":"UNCO-05154",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1474",
"Sample ID":"UNCO-05155",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1454",
"Sample ID":"UNCO-05156",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1478",
"Sample ID":"UNCO-05157",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1463",
"Sample ID":"UNCO-05158",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1419",
"Sample ID":"UNCO-05159",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1403",
"Sample ID":"UNCO-05160",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1404",
"Sample ID":"UNCO-05161",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1473",
"Sample ID":"UNCO-05162",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1466",
"Sample ID":"UNCO-05163",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1451",
"Sample ID":"UNCO-05164",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"M1455",
"Sample ID":"UNCO-05165",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1530",
"Sample ID":"UNCO-05166",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"baseline blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 1 Baseline"}
},
{
"Subject ID":"F1417",
"Sample ID":"UNCO-05167",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1423",
"Sample ID":"UNCO-05168",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1422",
"Sample ID":"UNCO-05169",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1421",
"Sample ID":"UNCO-05170",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1474",
"Sample ID":"UNCO-05171",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1478",
"Sample ID":"UNCO-05173",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1463",
"Sample ID":"UNCO-05174",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1419",
"Sample ID":"UNCO-05175",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1403",
"Sample ID":"UNCO-05176",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1404",
"Sample ID":"UNCO-05177",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1473",
"Sample ID":"UNCO-05178",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1466",
"Sample ID":"UNCO-05179",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1451",
"Sample ID":"UNCO-05180",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"M1455",
"Sample ID":"UNCO-05181",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
},
{
"Subject ID":"F1530",
"Sample ID":"UNCO-05182",
"Factors":{"Sample source":"EDTA Plasma","SAMPLE_DESCRIPTION":"Intoxication blood"},
"Additional sample data":{"BOX_NUMBER":"Blood box 2 intox dissection"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"For this study, the Oxycodone Biobank20 provided 32 plasma samples from 16 rats (8 females and 8 males; 2 samples per rat) at pre-exposure and intoxication time points. While the rats were anesthetized for the intravenous catheter surgery, 200- to 400-μl blood (pre-exposure) was collected through retroorbital bleed in EDTA-coated (Ethylene Diamine Tetra Acetic acid)tubes that were immediately inverted five times. Blood samples were processed within 1 hour of collection by centrifugation at 2000 x g at room temperature (RT) for 10 minutes to pellet the erythrocytes. The supernatant plasma was immediately transferred into a fresh tube, scored for quality on a scale from 0 to 5, snap-frozen on dry ice, and stored at –80°C. Samples were shipped on dry ice overnight to the Metabolon facility in North Carolina for metabolite characterization.","SAMPLE_TYPE":"Blood (plasma)"},

"TREATMENT":{"TREATMENT_SUMMARY":"For this study, the Oxycodone Biobank provided 32 plasma samples from 16 rats (8 females and 8 males; 2 samples per rat) at pre-exposure and intoxication time points. While the rats were anesthetized for the intravenous catheter surgery, 200- to 400-μl blood (pre-exposure) was collected through retroorbital bleed in EDTA-coated tubes that were immediately inverted five times. Oxycodone (Sigma-Aldrich) was dissolved in 0.9% sterile saline (Hospira) and administered at 150 mg/kg per infusion intravenously. This dose of oxycodone per infusion was selected based on previous studies and because it produces significant plasma oxycodone concentrations (40 ng/ml). Rats were familiarized and trained to self-administer during short access (ShA) and long access (LgA). There were 4 ShA sessions of 2 h and 14 LgA session of 12 h."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Blood samples were processed within 1 hour of collection by centrifugation at 2000 x g at room temperature (RT) for 10 minutes to pellet the erythrocytes. The supernatant plasma was immediately transferred into a fresh tube, scored for quality on a scale from 0 to 5, snap-frozen on dry ice, and stored at –80°C. Samples were shipped on dry ice overnight to the Metabolon facility in North Carolina for metabolite characterization. Samples were divided into five fractions: 2 for analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion mode electrospray ionization (ESI), 1 for analysis by RP/UPLC-MS/MS with negative ion mode ESI, 1 for analysis by hydrophilic interaction chromatophaphy (HILIC)/UPLC-MS/MS with negative ion mode ESI, and 1 sample was reserved for backup."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"High pH (LC/MS Neg)","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH C18 (100 x 2mm, 1.7um)","SOLVENT_A":"100% water; 6.5 mM ammonium bicarbonate, pH 8","SOLVENT_B":"95% methanol/5% water; 6.5 mM ammonium bicarbonate","FLOW_GRADIENT":"Linear gradient from 0.5 to 70% B over 4.0 minutes, then rapid gradient to 99% B in 0.5 minutes.","FLOW_RATE":"0.35 mL/min","COLUMN_TEMPERATURE":"40-50"},

"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 Neg). These data are normalized across batches to generate the Batch-normalized data and correct for minor instrument technical variation from batch to batch. Essentially, each compound is corrected in instrument batch blocks by registering the medians of each batch to equal one (1.00) and normalizing each data point proportionately (termed the “block correction”). For each metabolite, the raw values in the experimental samples are divided by the median of those samples in each instrument batch, giving each batch and thus the metabolite a median of one. Batch-normalized data simply reflect median-scaled raw data."},

"MS_METABOLITE_DATA":{
"Units":"relativeMedian of peak area",

"Data":[{"Metabolite":"12,13-DiHOME","UNCO-05151":"1.026084787","UNCO-05152":"0.895209549","UNCO-05153":"1.153725934","UNCO-05154":"2.336024296","UNCO-05155":"0.602460532","UNCO-05156":"1.048173418","UNCO-05157":"0.295478395","UNCO-05158":"1.120505536","UNCO-05159":"1.467333348","UNCO-05160":"1.268200228","UNCO-05161":"0.92267917","UNCO-05162":"0.725789455","UNCO-05163":"1.282854669","UNCO-05164":"2.782995214","UNCO-05165":"1.697756407","UNCO-05166":"1","UNCO-05167":"0.214749512","UNCO-05168":"0.453439098","UNCO-05169":"0.356332383","UNCO-05170":"1.084835288","UNCO-05171":"2.096552344","UNCO-05173":"0.855636218","UNCO-05174":"1.013948282","UNCO-05175":"0.174814825","UNCO-05176":"0.596005157","UNCO-05177":"1.018693072","UNCO-05178":"0.628354802","UNCO-05179":"0.329825337","UNCO-05180":"0.467255893","UNCO-05181":"0.856615034","UNCO-05182":"2.791823921"},{"Metabolite":"5-hydroxyindoleacetate","UNCO-05151":"0.958940841","UNCO-05152":"1.091996332","UNCO-05153":"1.026161742","UNCO-05154":"1.030859557","UNCO-05155":"0.932979005","UNCO-05156":"0.682543339","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.848240167","UNCO-05160":"0.895852799","UNCO-05161":"1.032089419","UNCO-05162":"NA","UNCO-05163":"0.675994211","UNCO-05164":"0.843042585","UNCO-05165":"1.02750025","UNCO-05166":"1.138140083","UNCO-05167":"1.428761402","UNCO-05168":"1.268457717","UNCO-05169":"1.287383695","UNCO-05170":"1.15738765","UNCO-05171":"0.8725984","UNCO-05173":"0.724971426","UNCO-05174":"0.667624192","UNCO-05175":"1.64932401","UNCO-05176":"1.319699097","UNCO-05177":"0.973838258","UNCO-05178":"0.777916361","UNCO-05179":"0.624457318","UNCO-05180":"0.802252865","UNCO-05181":"1.179694664","UNCO-05182":"1.106189729"},{"Metabolite":"kynurenate","UNCO-05151":"0.909560876","UNCO-05152":"2.829198859","UNCO-05153":"1.115871909","UNCO-05154":"1.36296745","UNCO-05155":"0.751620947","UNCO-05156":"0.678183408","UNCO-05157":"0.57401079","UNCO-05158":"0.344229408","UNCO-05159":"0.829144292","UNCO-05160":"1.669775735","UNCO-05161":"0.859248489","UNCO-05162":"0.703235805","UNCO-05163":"0.869921485","UNCO-05164":"0.722099194","UNCO-05165":"0.54214384","UNCO-05166":"1.174289279","UNCO-05167":"1.18561787","UNCO-05168":"1.282847229","UNCO-05169":"1","UNCO-05170":"1.183885367","UNCO-05171":"1.151679548","UNCO-05173":"0.735960209","UNCO-05174":"0.757075476","UNCO-05175":"0.749890817","UNCO-05176":"1.046615668","UNCO-05177":"1.086072773","UNCO-05178":"1.102289067","UNCO-05179":"0.356066698","UNCO-05180":"1.201830012","UNCO-05181":"2.014776594","UNCO-05182":"1.695265657"},{"Metabolite":"guanosine-3'',5''-cyclic monophosphate (cGMP)","UNCO-05151":"0.446591328","UNCO-05152":"1.423338656","UNCO-05153":"1.240093355","UNCO-05154":"1.007419236","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.510072473","UNCO-05160":"1.859108218","UNCO-05161":"0.885210662","UNCO-05162":"NA","UNCO-05163":"0.839466896","UNCO-05164":"0.963333743","UNCO-05165":"1.04796708","UNCO-05166":"0.68699177","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"1","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.54165336","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"1.338926422","UNCO-05181":"NA","UNCO-05182":"0.759181919"},{"Metabolite":"cholate","UNCO-05151":"0.943380412","UNCO-05152":"0.034380527","UNCO-05153":"0.022276576","UNCO-05154":"0.33701241","UNCO-05155":"3.864476668","UNCO-05156":"0.334699548","UNCO-05157":"0.448120311","UNCO-05158":"0.032412131","UNCO-05159":"0.58088199","UNCO-05160":"0.002307976","UNCO-05161":"0.699259719","UNCO-05162":"2.562649345","UNCO-05163":"1.019504628","UNCO-05164":"0.016289686","UNCO-05165":"0.687988498","UNCO-05166":"1","UNCO-05167":"6.174464052","UNCO-05168":"6.559909038","UNCO-05169":"7.365145279","UNCO-05170":"6.617479118","UNCO-05171":"7.841944733","UNCO-05173":"0.638931359","UNCO-05174":"2.132260812","UNCO-05175":"2.161785986","UNCO-05176":"0.51012018","UNCO-05177":"0.068423744","UNCO-05178":"9.732406943","UNCO-05179":"1.989344423","UNCO-05180":"3.822329575","UNCO-05181":"7.168312539","UNCO-05182":"1.404076634"},{"Metabolite":"4-hydroxyphenylacetate","UNCO-05151":"NA","UNCO-05152":"1.945605402","UNCO-05153":"0.713941969","UNCO-05154":"2.065607353","UNCO-05155":"NA","UNCO-05156":"1.884138477","UNCO-05157":"0.991345205","UNCO-05158":"NA","UNCO-05159":"1.125448456","UNCO-05160":"1.933693543","UNCO-05161":"1.032044959","UNCO-05162":"NA","UNCO-05163":"0.802836518","UNCO-05164":"0.943302154","UNCO-05165":"0.783944462","UNCO-05166":"NA","UNCO-05167":"0.978604177","UNCO-05168":"1.010958043","UNCO-05169":"1.015689186","UNCO-05170":"1.494174136","UNCO-05171":"NA","UNCO-05173":"0.412075525","UNCO-05174":"0.674347774","UNCO-05175":"1.135691137","UNCO-05176":"0.668359328","UNCO-05177":"0.717507939","UNCO-05178":"0.722271599","UNCO-05179":"NA","UNCO-05180":"0.981893758","UNCO-05181":"1.008654795","UNCO-05182":"1.394001799"},{"Metabolite":"9,10-DiHOME","UNCO-05151":"0.779924921","UNCO-05152":"0.911625841","UNCO-05153":"0.867627367","UNCO-05154":"1.691931733","UNCO-05155":"0.773037353","UNCO-05156":"0.84526721","UNCO-05157":"0.298923692","UNCO-05158":"0.88123896","UNCO-05159":"1.175893639","UNCO-05160":"1.05828366","UNCO-05161":"1.039238834","UNCO-05162":"0.924830771","UNCO-05163":"1.513239707","UNCO-05164":"2.504662204","UNCO-05165":"1.663728548","UNCO-05166":"1.482102788","UNCO-05167":"0.381693557","UNCO-05168":"0.644783351","UNCO-05169":"0.76583586","UNCO-05170":"1.385556535","UNCO-05171":"2.174384164","UNCO-05173":"1.416986702","UNCO-05174":"1.38963193","UNCO-05175":"0.423718246","UNCO-05176":"0.789669776","UNCO-05177":"1.232718578","UNCO-05178":"1","UNCO-05179":"0.354679655","UNCO-05180":"0.811477901","UNCO-05181":"1.358469947","UNCO-05182":"2.147608369"},{"Metabolite":"linoleate (18:2n6)","UNCO-05151":"0.710346958","UNCO-05152":"0.884678632","UNCO-05153":"1.101382973","UNCO-05154":"1.433530279","UNCO-05155":"0.54548851","UNCO-05156":"0.869032989","UNCO-05157":"0.301574304","UNCO-05158":"0.773548192","UNCO-05159":"1.108496138","UNCO-05160":"1.370152468","UNCO-05161":"0.813748781","UNCO-05162":"0.480833927","UNCO-05163":"1.521071456","UNCO-05164":"2.429199066","UNCO-05165":"1.640695012","UNCO-05166":"1.171926027","UNCO-05167":"0.61615181","UNCO-05168":"0.757455237","UNCO-05169":"0.590428537","UNCO-05170":"1.434036125","UNCO-05171":"1.682853113","UNCO-05173":"1","UNCO-05174":"1.089922997","UNCO-05175":"0.374199825","UNCO-05176":"1.192207034","UNCO-05177":"1.617880877","UNCO-05178":"0.936995257","UNCO-05179":"0.365559665","UNCO-05180":"0.826595061","UNCO-05181":"1.150157326","UNCO-05182":"1.109780614"},{"Metabolite":"laurate (12:0)","UNCO-05151":"0.898926717","UNCO-05152":"1.486253018","UNCO-05153":"1.400420263","UNCO-05154":"2.005060683","UNCO-05155":"0.583676374","UNCO-05156":"0.995191836","UNCO-05157":"0.44896185","UNCO-05158":"0.913194477","UNCO-05159":"1.06501026","UNCO-05160":"1.425267262","UNCO-05161":"1.247004728","UNCO-05162":"0.595837831","UNCO-05163":"1.717219889","UNCO-05164":"2.495780617","UNCO-05165":"1.567147203","UNCO-05166":"1.931347487","UNCO-05167":"0.656554039","UNCO-05168":"0.72986213","UNCO-05169":"0.719348934","UNCO-05170":"1.268740503","UNCO-05171":"2.301401132","UNCO-05173":"0.814462258","UNCO-05174":"1.042449654","UNCO-05175":"0.503098509","UNCO-05176":"0.914899371","UNCO-05177":"1.934574384","UNCO-05178":"0.778773588","UNCO-05179":"0.579101179","UNCO-05180":"1","UNCO-05181":"0.84589816","UNCO-05182":"1.958564286"},{"Metabolite":"N-formylkynurenine","UNCO-05151":"0.797556342","UNCO-05152":"1.010801609","UNCO-05153":"0.568511603","UNCO-05154":"0.916127864","UNCO-05155":"0.908291994","UNCO-05156":"0.586666016","UNCO-05157":"0.763669807","UNCO-05158":"0.842486019","UNCO-05159":"1.139970366","UNCO-05160":"1.01443853","UNCO-05161":"0.712135147","UNCO-05162":"1.055603552","UNCO-05163":"0.712780781","UNCO-05164":"0.71227217","UNCO-05165":"1","UNCO-05166":"1.51683063","UNCO-05167":"0.783614812","UNCO-05168":"1.601977779","UNCO-05169":"1.517090742","UNCO-05170":"0.68587314","UNCO-05171":"1.502166825","UNCO-05173":"1.645193505","UNCO-05174":"1.683276666","UNCO-05175":"1.040017743","UNCO-05176":"0.91288111","UNCO-05177":"1.392984876","UNCO-05178":"1.492205934","UNCO-05179":"0.346041655","UNCO-05180":"1.413071549","UNCO-05181":"1.425770581","UNCO-05182":"0.751623377"},{"Metabolite":"N-formylmethionine","UNCO-05151":"0.983277995","UNCO-05152":"1.144089026","UNCO-05153":"1","UNCO-05154":"1.078709011","UNCO-05155":"0.821661292","UNCO-05156":"0.805840645","UNCO-05157":"0.57000067","UNCO-05158":"0.755733956","UNCO-05159":"1.068246754","UNCO-05160":"0.998687194","UNCO-05161":"1.003040886","UNCO-05162":"0.85976136","UNCO-05163":"1.2446507","UNCO-05164":"0.910767494","UNCO-05165":"0.938236898","UNCO-05166":"1.060804333","UNCO-05167":"1.353980997","UNCO-05168":"1.15333799","UNCO-05169":"1.317890325","UNCO-05170":"1.364175334","UNCO-05171":"0.990448669","UNCO-05173":"0.854397229","UNCO-05174":"0.630424174","UNCO-05175":"1.000135873","UNCO-05176":"0.784682659","UNCO-05177":"1.028476016","UNCO-05178":"1.134227674","UNCO-05179":"0.303325072","UNCO-05180":"0.954557024","UNCO-05181":"1.082938312","UNCO-05182":"2.06411888"},{"Metabolite":"S-adenosylhomocysteine (SAH)","UNCO-05151":"1.496344204","UNCO-05152":"NA","UNCO-05153":"1.648596154","UNCO-05154":"0.993562952","UNCO-05155":"1.952825488","UNCO-05156":"2.235165807","UNCO-05157":"0.744658674","UNCO-05158":"0.540971354","UNCO-05159":"1.813015447","UNCO-05160":"1.40153757","UNCO-05161":"0.895685246","UNCO-05162":"2.885083946","UNCO-05163":"1.006437048","UNCO-05164":"1.090398324","UNCO-05165":"1.815939067","UNCO-05166":"0.815115369","UNCO-05167":"0.432248289","UNCO-05168":"5.601141991","UNCO-05169":"0.446185058","UNCO-05170":"0.476351729","UNCO-05171":"1.331096129","UNCO-05173":"1.177557786","UNCO-05174":"0.530009051","UNCO-05175":"0.541474725","UNCO-05176":"0.688077733","UNCO-05177":"0.669386904","UNCO-05178":"0.428017938","UNCO-05179":"0.197372301","UNCO-05180":"1.424804499","UNCO-05181":"0.940449678","UNCO-05182":"1.229227046"},{"Metabolite":"adenosine 3'',5''-cyclic monophosphate (cAMP)","UNCO-05151":"1.384172588","UNCO-05152":"0.911872642","UNCO-05153":"1.257965468","UNCO-05154":"1.54236017","UNCO-05155":"1.058063544","UNCO-05156":"1.061451332","UNCO-05157":"0.778034186","UNCO-05158":"0.716230293","UNCO-05159":"1.351743413","UNCO-05160":"1.596946183","UNCO-05161":"1.022156838","UNCO-05162":"0.620558136","UNCO-05163":"1.243978423","UNCO-05164":"0.977843162","UNCO-05165":"1.300346471","UNCO-05166":"0.439207315","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"0.686256222","UNCO-05170":"NA","UNCO-05171":"0.715871322","UNCO-05173":"0.542296068","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.458312901","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.337326885","UNCO-05181":"NA","UNCO-05182":"2.546286414"},{"Metabolite":"adenosine 5''-diphosphoribose (ADP-ribose)","UNCO-05151":"0.917796003","UNCO-05152":"1.365805881","UNCO-05153":"1.037028003","UNCO-05154":"0.774120032","UNCO-05155":"0.693714843","UNCO-05156":"4.637540206","UNCO-05157":"0.679644507","UNCO-05158":"0.905356789","UNCO-05159":"0.491600482","UNCO-05160":"NA","UNCO-05161":"1.06536685","UNCO-05162":"1.862848519","UNCO-05163":"1.236916721","UNCO-05164":"1.642098203","UNCO-05165":"2.541822284","UNCO-05166":"0.751063278","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"0.453749295","UNCO-05170":"NA","UNCO-05171":"3.842566198","UNCO-05173":"0.739241452","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.962971997","UNCO-05178":"NA","UNCO-05179":"4.29468437","UNCO-05180":"0.588034879","UNCO-05181":"NA","UNCO-05182":"6.463231147"},{"Metabolite":"arachidonate (20:4n6)","UNCO-05151":"0.943256019","UNCO-05152":"1","UNCO-05153":"1.177159428","UNCO-05154":"1.281771978","UNCO-05155":"0.67494434","UNCO-05156":"0.57169961","UNCO-05157":"0.321720451","UNCO-05158":"0.782538259","UNCO-05159":"0.766363005","UNCO-05160":"1.10835612","UNCO-05161":"0.983404509","UNCO-05162":"0.833156201","UNCO-05163":"1.071340039","UNCO-05164":"1.0504978","UNCO-05165":"0.877812394","UNCO-05166":"1.243651104","UNCO-05167":"0.979921863","UNCO-05168":"1.329958182","UNCO-05169":"1.290912812","UNCO-05170":"1.451058074","UNCO-05171":"1.209577276","UNCO-05173":"1.152816736","UNCO-05174":"0.964356568","UNCO-05175":"1.17457525","UNCO-05176":"1.594000153","UNCO-05177":"1.402992101","UNCO-05178":"1.168626807","UNCO-05179":"0.340273","UNCO-05180":"0.880793114","UNCO-05181":"0.987248565","UNCO-05182":"0.717834696"},{"Metabolite":"3-(4-hydroxyphenyl)lactate","UNCO-05151":"0.922126521","UNCO-05152":"2.517501179","UNCO-05153":"1.275540245","UNCO-05154":"1.352163183","UNCO-05155":"0.727348008","UNCO-05156":"1","UNCO-05157":"0.774982077","UNCO-05158":"0.669348798","UNCO-05159":"1.243037703","UNCO-05160":"1.523014464","UNCO-05161":"1.043587077","UNCO-05162":"0.727370928","UNCO-05163":"1.545158984","UNCO-05164":"1.073929446","UNCO-05165":"0.959296351","UNCO-05166":"0.810724638","UNCO-05167":"0.934989004","UNCO-05168":"1.475615388","UNCO-05169":"1.866636718","UNCO-05170":"1.34187","UNCO-05171":"0.970782713","UNCO-05173":"0.663343331","UNCO-05174":"0.668743824","UNCO-05175":"0.959541175","UNCO-05176":"0.863403877","UNCO-05177":"1.316527563","UNCO-05178":"0.73416636","UNCO-05179":"0.329953702","UNCO-05180":"1.030637618","UNCO-05181":"1.156743928","UNCO-05182":"3.405935898"},{"Metabolite":"corticosterone","UNCO-05151":"0.905436909","UNCO-05152":"0.747113994","UNCO-05153":"1","UNCO-05154":"0.501941532","UNCO-05155":"0.927345462","UNCO-05156":"0.984525864","UNCO-05157":"0.312358271","UNCO-05158":"0.245143773","UNCO-05159":"0.618494566","UNCO-05160":"1.702756431","UNCO-05161":"0.255453146","UNCO-05162":"0.900888419","UNCO-05163":"0.620519262","UNCO-05164":"1.297357664","UNCO-05165":"0.729657456","UNCO-05166":"2.754285015","UNCO-05167":"3.285990063","UNCO-05168":"1.998608572","UNCO-05169":"2.435560035","UNCO-05170":"2.627724741","UNCO-05171":"2.27912293","UNCO-05173":"1.739103501","UNCO-05174":"0.65720994","UNCO-05175":"2.152505043","UNCO-05176":"3.176227177","UNCO-05177":"3.561191066","UNCO-05178":"1.657832684","UNCO-05179":"0.295570239","UNCO-05180":"0.991698522","UNCO-05181":"1.117774509","UNCO-05182":"1.637759033"},{"Metabolite":"deoxycholate","UNCO-05151":"1.511323582","UNCO-05152":"0.695099053","UNCO-05153":"0.364406245","UNCO-05154":"1.246555157","UNCO-05155":"NA","UNCO-05156":"0.740229619","UNCO-05157":"0.177723849","UNCO-05158":"1.135577794","UNCO-05159":"1","UNCO-05160":"0.599262268","UNCO-05161":"1.094400858","UNCO-05162":"NA","UNCO-05163":"3.317215908","UNCO-05164":"0.575563388","UNCO-05165":"0.65503195","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"2.307576115","UNCO-05173":"0.764322159","UNCO-05174":"0.835443134","UNCO-05175":"2.429270323","UNCO-05176":"0.632503885","UNCO-05177":"0.519528164","UNCO-05178":"9.558851178","UNCO-05179":"1.283115969","UNCO-05180":"1.612979944","UNCO-05181":"3.270176163","UNCO-05182":"NA"},{"Metabolite":"flavin adenine dinucleotide (FAD)","UNCO-05151":"1.50128655","UNCO-05152":"3.467067669","UNCO-05153":"1.278571429","UNCO-05154":"1.447568922","UNCO-05155":"0.916215539","UNCO-05156":"1.180300752","UNCO-05157":"1.206917293","UNCO-05158":"0.856123642","UNCO-05159":"1","UNCO-05160":"1.149064327","UNCO-05161":"1.839081036","UNCO-05162":"1.012606516","UNCO-05163":"0.784352548","UNCO-05164":"1.058654971","UNCO-05165":"1.259590643","UNCO-05166":"0.777627402","UNCO-05167":"NA","UNCO-05168":"0.819381788","UNCO-05169":"0.705981621","UNCO-05170":"NA","UNCO-05171":"0.873809524","UNCO-05173":"0.535522139","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.754828739","UNCO-05178":"0.328504595","UNCO-05179":"0.275472013","UNCO-05180":"0.582130326","UNCO-05181":"NA","UNCO-05182":"1.807284879"},{"Metabolite":"glycocholate","UNCO-05151":"0.154629512","UNCO-05152":"0.046009561","UNCO-05153":"0.195115497","UNCO-05154":"0.115605497","UNCO-05155":"0.327459239","UNCO-05156":"0.691255302","UNCO-05157":"0.650963531","UNCO-05158":"2.083408934","UNCO-05159":"1.133390847","UNCO-05160":"0.362000502","UNCO-05161":"0.277846907","UNCO-05162":"1.260168217","UNCO-05163":"0.334181863","UNCO-05164":"3.876364993","UNCO-05165":"1.97067411","UNCO-05166":"1.590818242","UNCO-05167":"0.967708293","UNCO-05168":"1.878709562","UNCO-05169":"1.834146789","UNCO-05170":"0.599802855","UNCO-05171":"22.25293873","UNCO-05173":"0.587201076","UNCO-05174":"7.58133985","UNCO-05175":"1.492813566","UNCO-05176":"1.043800837","UNCO-05177":"1","UNCO-05178":"1.310287677","UNCO-05179":"0.539130283","UNCO-05180":"0.799786914","UNCO-05181":"1.61829151","UNCO-05182":"1.096617173"},{"Metabolite":"histidine","UNCO-05151":"0.987227846","UNCO-05152":"0.919230924","UNCO-05153":"0.882210158","UNCO-05154":"1.088758948","UNCO-05155":"1.055253938","UNCO-05156":"0.940787598","UNCO-05157":"1.065722411","UNCO-05158":"0.868674935","UNCO-05159":"0.789702955","UNCO-05160":"0.955064763","UNCO-05161":"1.107243468","UNCO-05162":"1.042418132","UNCO-05163":"1.122121779","UNCO-05164":"0.730762226","UNCO-05165":"0.820137553","UNCO-05166":"0.773977152","UNCO-05167":"1.030132193","UNCO-05168":"0.946756451","UNCO-05169":"0.990101986","UNCO-05170":"1.099475062","UNCO-05171":"1.005346175","UNCO-05173":"1.053111733","UNCO-05174":"1.144978391","UNCO-05175":"1.192158838","UNCO-05176":"0.808516904","UNCO-05177":"1","UNCO-05178":"1.206047879","UNCO-05179":"0.572602966","UNCO-05180":"1.118585698","UNCO-05181":"1.178974441","UNCO-05182":"0.948524692"},{"Metabolite":"inosine","UNCO-05151":"1.374860738","UNCO-05152":"0.782912239","UNCO-05153":"11.98345606","UNCO-05154":"1.561041786","UNCO-05155":"3.30882902","UNCO-05156":"3.368490674","UNCO-05157":"0.675100313","UNCO-05158":"7.407634081","UNCO-05159":"1.59611094","UNCO-05160":"0.886164881","UNCO-05161":"1.082728515","UNCO-05162":"7.123462234","UNCO-05163":"1.475858724","UNCO-05164":"2.036306715","UNCO-05165":"4.406226024","UNCO-05166":"1.321342799","UNCO-05167":"0.442168232","UNCO-05168":"0.42362832","UNCO-05169":"0.397730647","UNCO-05170":"0.216132399","UNCO-05171":"1.043326425","UNCO-05173":"0.387065861","UNCO-05174":"0.37247968","UNCO-05175":"0.332151623","UNCO-05176":"0.215788468","UNCO-05177":"0.451330893","UNCO-05178":"NA","UNCO-05179":"0.966862149","UNCO-05180":"0.541731705","UNCO-05181":"0.099466467","UNCO-05182":"1.033137851"},{"Metabolite":"lithocholate","UNCO-05151":"1.173819163","UNCO-05152":"NA","UNCO-05153":"0.391149886","UNCO-05154":"0.732321203","UNCO-05155":"0.60532974","UNCO-05156":"0.505946343","UNCO-05157":"0.295159216","UNCO-05158":"1.008548329","UNCO-05159":"2.264552113","UNCO-05160":"0.991451671","UNCO-05161":"0.779596339","UNCO-05162":"1.122089813","UNCO-05163":"1.655684531","UNCO-05164":"0.231370568","UNCO-05165":"0.547887171","UNCO-05166":"3.649127498","UNCO-05167":"4.742695559","UNCO-05168":"5.4647284","UNCO-05169":"14.35315806","UNCO-05170":"29.47208222","UNCO-05171":"0.988103284","UNCO-05173":"0.623943384","UNCO-05174":"0.638199557","UNCO-05175":"4.65666943","UNCO-05176":"1.907098392","UNCO-05177":"1.366657754","UNCO-05178":"1.314674453","UNCO-05179":"0.525626848","UNCO-05180":"0.84962895","UNCO-05181":"1.200479953","UNCO-05182":"0.387646979"},{"Metabolite":"malate","UNCO-05151":"0.794109455","UNCO-05152":"1.885784039","UNCO-05153":"1.325785379","UNCO-05154":"1.266947892","UNCO-05155":"1.427033907","UNCO-05156":"1.93951864","UNCO-05157":"1","UNCO-05158":"0.755356462","UNCO-05159":"2.184008144","UNCO-05160":"1.463289054","UNCO-05161":"0.97674776","UNCO-05162":"1.742744227","UNCO-05163":"1.161209355","UNCO-05164":"1.467282654","UNCO-05165":"1.753590322","UNCO-05166":"0.422048403","UNCO-05167":"1.429696453","UNCO-05168":"1.190880144","UNCO-05169":"1.016853138","UNCO-05170":"0.840165063","UNCO-05171":"0.456225851","UNCO-05173":"0.745793113","UNCO-05174":"0.755258497","UNCO-05175":"0.867487093","UNCO-05176":"0.502280596","UNCO-05177":"0.584931454","UNCO-05178":"1.755877956","UNCO-05179":"0.293950841","UNCO-05180":"0.788693256","UNCO-05181":"0.723838487","UNCO-05182":"0.661193992"},{"Metabolite":"palmitate (16:0)","UNCO-05151":"0.873277285","UNCO-05152":"1.151650417","UNCO-05153":"1.17409039","UNCO-05154":"1.67042085","UNCO-05155":"0.685189582","UNCO-05156":"0.920397028","UNCO-05157":"0.586375993","UNCO-05158":"0.906999298","UNCO-05159":"1.199695315","UNCO-05160":"1.360230097","UNCO-05161":"1","UNCO-05162":"0.603881725","UNCO-05163":"1.305674866","UNCO-05164":"1.982056865","UNCO-05165":"1.45516209","UNCO-05166":"0.996760366","UNCO-05167":"0.828438216","UNCO-05168":"0.81018243","UNCO-05169":"0.776100796","UNCO-05170":"1.374044457","UNCO-05171":"1.432800001","UNCO-05173":"1.00664156","UNCO-05174":"0.965782122","UNCO-05175":"0.597317142","UNCO-05176":"1.12735048","UNCO-05177":"1.383424795","UNCO-05178":"1.003439401","UNCO-05179":"0.541403787","UNCO-05180":"0.889816323","UNCO-05181":"0.982550168","UNCO-05182":"1.330896961"},{"Metabolite":"pelargonate (9:0)","UNCO-05151":"0.859019586","UNCO-05152":"0.882723337","UNCO-05153":"0.981556527","UNCO-05154":"0.763620764","UNCO-05155":"0.844495026","UNCO-05156":"0.761816125","UNCO-05157":"0.738210465","UNCO-05158":"0.933796843","UNCO-05159":"1.014043559","UNCO-05160":"1","UNCO-05161":"0.919565374","UNCO-05162":"0.876980877","UNCO-05163":"0.852726398","UNCO-05164":"0.900792174","UNCO-05165":"0.926222563","UNCO-05166":"1.385494113","UNCO-05167":"1.009928464","UNCO-05168":"1.092385183","UNCO-05169":"1.256869621","UNCO-05170":"1.088766452","UNCO-05171":"1.274192729","UNCO-05173":"0.996047996","UNCO-05174":"1.024059479","UNCO-05175":"1.041478314","UNCO-05176":"1.063402245","UNCO-05177":"1.118755119","UNCO-05178":"1.203329658","UNCO-05179":"1.115996752","UNCO-05180":"1.094270185","UNCO-05181":"1.403552313","UNCO-05182":"0.81578627"},{"Metabolite":"stearate (18:0)","UNCO-05151":"0.931733247","UNCO-05152":"1.074602989","UNCO-05153":"1.057155795","UNCO-05154":"1.276136857","UNCO-05155":"0.92733851","UNCO-05156":"0.944769925","UNCO-05157":"0.766323698","UNCO-05158":"0.880517692","UNCO-05159":"1","UNCO-05160":"1.275063681","UNCO-05161":"0.984901577","UNCO-05162":"0.868954949","UNCO-05163":"1.125928181","UNCO-05164":"1.204030743","UNCO-05165":"1.107637002","UNCO-05166":"0.942717149","UNCO-05167":"1.057224912","UNCO-05168":"0.935760642","UNCO-05169":"0.95316762","UNCO-05170":"1.303746552","UNCO-05171":"1.200871797","UNCO-05173":"0.958443462","UNCO-05174":"0.982220349","UNCO-05175":"0.89965632","UNCO-05176":"1.05144771","UNCO-05177":"1.174948936","UNCO-05178":"1.069782075","UNCO-05179":"0.658665579","UNCO-05180":"0.975868318","UNCO-05181":"1.025579374","UNCO-05182":"1.011077584"},{"Metabolite":"palmitoleate (16:1n7)","UNCO-05151":"1.02955926","UNCO-05152":"1.058617347","UNCO-05153":"1.712856746","UNCO-05154":"2.921891167","UNCO-05155":"0.266925249","UNCO-05156":"0.833667154","UNCO-05157":"0.200524343","UNCO-05158":"1","UNCO-05159":"1.543599703","UNCO-05160":"1.621822953","UNCO-05161":"1.018893427","UNCO-05162":"0.224273018","UNCO-05163":"1.874371531","UNCO-05164":"4.817305285","UNCO-05165":"1.542155372","UNCO-05166":"1.715349493","UNCO-05167":"0.433549467","UNCO-05168":"0.455639926","UNCO-05169":"0.3562148","UNCO-05170":"1.147734397","UNCO-05171":"2.41810296","UNCO-05173":"0.927291805","UNCO-05174":"0.958949572","UNCO-05175":"0.22137143","UNCO-05176":"0.653214644","UNCO-05177":"1.63045464","UNCO-05178":"0.589723943","UNCO-05179":"0.39159498","UNCO-05180":"0.598850454","UNCO-05181":"0.5070155","UNCO-05182":"2.608655165"},{"Metabolite":"phosphoenolpyruvate (PEP)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"1","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"pyridoxal","UNCO-05151":"1","UNCO-05152":"0.854538161","UNCO-05153":"0.470644934","UNCO-05154":"0.629392117","UNCO-05155":"0.619676739","UNCO-05156":"0.442416712","UNCO-05157":"1.068503511","UNCO-05158":"0.459461455","UNCO-05159":"1.211942881","UNCO-05160":"1.411535044","UNCO-05161":"0.850100427","UNCO-05162":"1.056339441","UNCO-05163":"1.322753902","UNCO-05164":"0.420775447","UNCO-05165":"0.488540729","UNCO-05166":"1.138029401","UNCO-05167":"2.03971535","UNCO-05168":"0.560903927","UNCO-05169":"1.333962453","UNCO-05170":"1.665421891","UNCO-05171":"0.709591689","UNCO-05173":"0.982452426","UNCO-05174":"1.451620901","UNCO-05175":"1.082093897","UNCO-05176":"1.780259745","UNCO-05177":"0.58308981","UNCO-05178":"2.424157374","UNCO-05179":"0.26232077","UNCO-05180":"0.806661894","UNCO-05181":"1.267127619","UNCO-05182":"1.377944212"},{"Metabolite":"riboflavin (vitamin B2)","UNCO-05151":"1.55165427","UNCO-05152":"2.289933083","UNCO-05153":"2.013967315","UNCO-05154":"1.772841185","UNCO-05155":"1.036879149","UNCO-05156":"1.675811139","UNCO-05157":"0.587762937","UNCO-05158":"0.628193234","UNCO-05159":"2.518174305","UNCO-05160":"1.593012344","UNCO-05161":"1.426089738","UNCO-05162":"1.020579061","UNCO-05163":"2.554525581","UNCO-05164":"1.137534992","UNCO-05165":"1.271825429","UNCO-05166":"0.714095284","UNCO-05167":"0.654202991","UNCO-05168":"1.011439921","UNCO-05169":"0.902628702","UNCO-05170":"1","UNCO-05171":"0.71729185","UNCO-05173":"0.896803434","UNCO-05174":"0.675952438","UNCO-05175":"0.778671785","UNCO-05176":"0.636129995","UNCO-05177":"0.466162788","UNCO-05178":"0.862395692","UNCO-05179":"0.331978992","UNCO-05180":"0.665322989","UNCO-05181":"0.742168546","UNCO-05182":"2.82940361"},{"Metabolite":"myristate (14:0)","UNCO-05151":"0.995545862","UNCO-05152":"1.278635846","UNCO-05153":"1.491218316","UNCO-05154":"2.27297133","UNCO-05155":"0.536073584","UNCO-05156":"1.058873946","UNCO-05157":"0.327647371","UNCO-05158":"0.966795412","UNCO-05159":"1.125050474","UNCO-05160":"1.747890101","UNCO-05161":"1.233208113","UNCO-05162":"0.483799366","UNCO-05163":"1.76117816","UNCO-05164":"3.042129963","UNCO-05165":"1.917828054","UNCO-05166":"1.332772754","UNCO-05167":"0.569439645","UNCO-05168":"0.678066831","UNCO-05169":"0.584210072","UNCO-05170":"1.496298839","UNCO-05171":"2.21669976","UNCO-05173":"0.870528202","UNCO-05174":"1","UNCO-05175":"0.336207024","UNCO-05176":"0.943908375","UNCO-05177":"1.631083444","UNCO-05178":"0.776448142","UNCO-05179":"0.468744443","UNCO-05180":"0.817919714","UNCO-05181":"0.798786381","UNCO-05182":"2.162204804"},{"Metabolite":"uridine","UNCO-05151":"1.244974582","UNCO-05152":"0.564215503","UNCO-05153":"1.455793776","UNCO-05154":"1.25601093","UNCO-05155":"2.043995523","UNCO-05156":"1.231211105","UNCO-05157":"0.502469552","UNCO-05158":"1.552157654","UNCO-05159":"1.531821688","UNCO-05160":"1","UNCO-05161":"0.738466646","UNCO-05162":"3.285099817","UNCO-05163":"0.705543132","UNCO-05164":"1.320625032","UNCO-05165":"1.471392512","UNCO-05166":"0.700560833","UNCO-05167":"0.959818952","UNCO-05168":"1.799240294","UNCO-05169":"0.812265804","UNCO-05170":"0.7989303","UNCO-05171":"0.783777893","UNCO-05173":"1.138291207","UNCO-05174":"0.805115733","UNCO-05175":"1.338200399","UNCO-05176":"0.684449398","UNCO-05177":"0.742619942","UNCO-05178":"1.036963606","UNCO-05179":"0.44796142","UNCO-05180":"1.044504981","UNCO-05181":"0.912398463","UNCO-05182":"0.534094602"},{"Metabolite":"2''-deoxyuridine","UNCO-05151":"0.876068684","UNCO-05152":"0.990008419","UNCO-05153":"0.9019072","UNCO-05154":"1.38813381","UNCO-05155":"1.005745363","UNCO-05156":"0.958897097","UNCO-05157":"1.314797941","UNCO-05158":"0.874659162","UNCO-05159":"1.239246626","UNCO-05160":"1.036845143","UNCO-05161":"0.755931398","UNCO-05162":"1.262001304","UNCO-05163":"1.49984995","UNCO-05164":"0.786966677","UNCO-05165":"1.040136064","UNCO-05166":"1.079544961","UNCO-05167":"0.743342115","UNCO-05168":"0.903347954","UNCO-05169":"0.862378127","UNCO-05170":"0.875213873","UNCO-05171":"1.606667391","UNCO-05173":"1.140063415","UNCO-05174":"1.098915021","UNCO-05175":"0.883575949","UNCO-05176":"1","UNCO-05177":"1.402846881","UNCO-05178":"1.216051981","UNCO-05179":"0.68037465","UNCO-05180":"0.733903886","UNCO-05181":"0.893399826","UNCO-05182":"1.962801798"},{"Metabolite":"pseudouridine","UNCO-05151":"1.108846637","UNCO-05152":"1.318213801","UNCO-05153":"1.299427733","UNCO-05154":"1.428069351","UNCO-05155":"0.853068173","UNCO-05156":"0.7446093","UNCO-05157":"0.696086077","UNCO-05158":"0.789218005","UNCO-05159":"1.122937738","UNCO-05160":"1.26561267","UNCO-05161":"1.239384115","UNCO-05162":"0.62740082","UNCO-05163":"1.002777181","UNCO-05164":"0.952988901","UNCO-05165":"0.937605127","UNCO-05166":"0.930886708","UNCO-05167":"0.990387355","UNCO-05168":"1.193511311","UNCO-05169":"1.1884227","UNCO-05170":"1.134730961","UNCO-05171":"1","UNCO-05173":"0.900117691","UNCO-05174":"0.915477109","UNCO-05175":"1.275588084","UNCO-05176":"1.109139984","UNCO-05177":"1.192849825","UNCO-05178":"0.879791372","UNCO-05179":"0.414117796","UNCO-05180":"0.976304884","UNCO-05181":"0.981646506","UNCO-05182":"1.587216108"},{"Metabolite":"pyruvate","UNCO-05151":"1.093710032","UNCO-05152":"1.286573911","UNCO-05153":"0.961664171","UNCO-05154":"0.83452272","UNCO-05155":"1.248897876","UNCO-05156":"1.289245054","UNCO-05157":"1.073792159","UNCO-05158":"1.168845786","UNCO-05159":"1.135425038","UNCO-05160":"1.208673672","UNCO-05161":"0.911784811","UNCO-05162":"0.799899783","UNCO-05163":"1.059624141","UNCO-05164":"1.206864223","UNCO-05165":"0.828724197","UNCO-05166":"0.778932628","UNCO-05167":"1.511648463","UNCO-05168":"1.661198602","UNCO-05169":"0.995289884","UNCO-05170":"1.30620415","UNCO-05171":"0.832733461","UNCO-05173":"0.687566379","UNCO-05174":"0.652457675","UNCO-05175":"1.45308081","UNCO-05176":"1","UNCO-05177":"0.739679406","UNCO-05178":"1.211446318","UNCO-05179":"0.124843925","UNCO-05180":"0.713796567","UNCO-05181":"0.697521724","UNCO-05182":"0.519759554"},{"Metabolite":"thymidine","UNCO-05151":"1.003890933","UNCO-05152":"1.125077526","UNCO-05153":"1.136431538","UNCO-05154":"0.782723531","UNCO-05155":"1.008824157","UNCO-05156":"0.474780103","UNCO-05157":"0.907452189","UNCO-05158":"0.842122705","UNCO-05159":"1.181063304","UNCO-05160":"1.046128012","UNCO-05161":"0.524718721","UNCO-05162":"0.957393215","UNCO-05163":"0.768414727","UNCO-05164":"0.599939581","UNCO-05165":"0.694075616","UNCO-05166":"2.221464623","UNCO-05167":"1.196380118","UNCO-05168":"1.503055453","UNCO-05169":"1.973703866","UNCO-05170":"1.177529025","UNCO-05171":"1.022320784","UNCO-05173":"0.727093623","UNCO-05174":"0.817533941","UNCO-05175":"1.690742603","UNCO-05176":"1.918159439","UNCO-05177":"1.351543826","UNCO-05178":"0.844836796","UNCO-05179":"0.231866418","UNCO-05180":"0.840671496","UNCO-05181":"0.839173122","UNCO-05182":"1"},{"Metabolite":"thymine","UNCO-05151":"1.556864188","UNCO-05152":"3.027965571","UNCO-05153":"1.56622694","UNCO-05154":"1.126422977","UNCO-05155":"1.079372459","UNCO-05156":"0.813526271","UNCO-05157":"1.257815745","UNCO-05158":"1.537652252","UNCO-05159":"2.354282221","UNCO-05160":"2.770771857","UNCO-05161":"0.859965519","UNCO-05162":"0.66841438","UNCO-05163":"1.455449444","UNCO-05164":"1.261453228","UNCO-05165":"1.108214039","UNCO-05166":"0.847959673","UNCO-05167":"1.336940683","UNCO-05168":"1.416732852","UNCO-05169":"0.634760131","UNCO-05170":"NA","UNCO-05171":"0.920627541","UNCO-05173":"0.53208841","UNCO-05174":"0.495175492","UNCO-05175":"0.788408268","UNCO-05176":"0.746402874","UNCO-05177":"0.82187311","UNCO-05178":"0.716403326","UNCO-05179":"0.446110369","UNCO-05180":"0.458637085","UNCO-05181":"0.699007979","UNCO-05182":"2.734263582"},{"Metabolite":"caprate (10:0)","UNCO-05151":"0.620301534","UNCO-05152":"1.409453501","UNCO-05153":"1.053272567","UNCO-05154":"1.980601523","UNCO-05155":"0.577431472","UNCO-05156":"0.86215113","UNCO-05157":"0.386048945","UNCO-05158":"1.109453879","UNCO-05159":"1.387445748","UNCO-05160":"1.354450606","UNCO-05161":"0.859574829","UNCO-05162":"0.822979028","UNCO-05163":"1.587842626","UNCO-05164":"2.398984507","UNCO-05165":"1.551296016","UNCO-05166":"1.262918399","UNCO-05167":"0.41871759","UNCO-05168":"0.611611518","UNCO-05169":"0.508869211","UNCO-05170":"0.851922144","UNCO-05171":"1.208006859","UNCO-05173":"0.865515025","UNCO-05174":"1.188905148","UNCO-05175":"0.479827713","UNCO-05176":"0.66089963","UNCO-05177":"1.30559332","UNCO-05178":"0.962818233","UNCO-05179":"0.477480609","UNCO-05180":"1.348498518","UNCO-05181":"1.018196276","UNCO-05182":"1"},{"Metabolite":"margarate (17:0)","UNCO-05151":"0.71014653","UNCO-05152":"0.939311842","UNCO-05153":"0.986536127","UNCO-05154":"1.236175861","UNCO-05155":"0.640672885","UNCO-05156":"0.854138257","UNCO-05157":"0.487353222","UNCO-05158":"0.751450288","UNCO-05159":"1.011799442","UNCO-05160":"1.123409771","UNCO-05161":"0.818030553","UNCO-05162":"0.57836528","UNCO-05163":"1.481676001","UNCO-05164":"1.477175464","UNCO-05165":"1.453944051","UNCO-05166":"1.178854435","UNCO-05167":"0.980006878","UNCO-05168":"0.977697875","UNCO-05169":"0.979173052","UNCO-05170":"1.84445085","UNCO-05171":"1.477747852","UNCO-05173":"1.068984997","UNCO-05174":"1.044819636","UNCO-05175":"0.71246627","UNCO-05176":"1.139671729","UNCO-05177":"1.301915704","UNCO-05178":"1.160556468","UNCO-05179":"0.462133305","UNCO-05180":"0.860748792","UNCO-05181":"1.204409046","UNCO-05182":"1"},{"Metabolite":"nonadecanoate (19:0)","UNCO-05151":"0.776857819","UNCO-05152":"0.971856799","UNCO-05153":"1.068352355","UNCO-05154":"1.090950625","UNCO-05155":"0.838215896","UNCO-05156":"0.819596007","UNCO-05157":"0.5714079","UNCO-05158":"0.751972145","UNCO-05159":"0.95999484","UNCO-05160":"1.21830755","UNCO-05161":"0.766317034","UNCO-05162":"0.675732044","UNCO-05163":"1.255863387","UNCO-05164":"1.120688982","UNCO-05165":"1.068052265","UNCO-05166":"1.010870454","UNCO-05167":"0.890083293","UNCO-05168":"1","UNCO-05169":"0.907659601","UNCO-05170":"1.535653299","UNCO-05171":"1.266813411","UNCO-05173":"1.094432558","UNCO-05174":"1.083281872","UNCO-05175":"0.813832084","UNCO-05176":"1.146608517","UNCO-05177":"0.943212014","UNCO-05178":"1.311701666","UNCO-05179":"0.418238228","UNCO-05180":"1.022381221","UNCO-05181":"1.241120923","UNCO-05182":"0.942621138"},{"Metabolite":"arachidate (20:0)","UNCO-05151":"0.977015764","UNCO-05152":"0.940401754","UNCO-05153":"1.026163659","UNCO-05154":"1.122164264","UNCO-05155":"1.141158327","UNCO-05156":"0.886765711","UNCO-05157":"1.061608077","UNCO-05158":"0.768256318","UNCO-05159":"1.002207435","UNCO-05160":"1.134735314","UNCO-05161":"0.86705603","UNCO-05162":"1.020377754","UNCO-05163":"1.046128655","UNCO-05164":"0.884325742","UNCO-05165":"0.928976544","UNCO-05166":"0.921893938","UNCO-05167":"1.053670931","UNCO-05168":"0.948044392","UNCO-05169":"0.907334361","UNCO-05170":"1.239771193","UNCO-05171":"1","UNCO-05173":"1.094861219","UNCO-05174":"1.157972376","UNCO-05175":"0.907382328","UNCO-05176":"1.062977087","UNCO-05177":"0.811518788","UNCO-05178":"1.192577949","UNCO-05179":"0.739125858","UNCO-05180":"0.930174233","UNCO-05181":"1.262363005","UNCO-05182":"0.96805803"},{"Metabolite":"heptanoate (7:0)","UNCO-05151":"NA","UNCO-05152":"0.915710145","UNCO-05153":"0.622538551","UNCO-05154":"0.808795064","UNCO-05155":"0.927865553","UNCO-05156":"0.691162223","UNCO-05157":"0.528916494","UNCO-05158":"NA","UNCO-05159":"0.790205667","UNCO-05160":"0.719544287","UNCO-05161":"0.847699036","UNCO-05162":"0.587576648","UNCO-05163":"1.026333938","UNCO-05164":"1.660156974","UNCO-05165":"0.799010732","UNCO-05166":"1.270942242","UNCO-05167":"1.72368846","UNCO-05168":"1.424028703","UNCO-05169":"0.945233993","UNCO-05170":"1.192725924","UNCO-05171":"1.395650806","UNCO-05173":"1.089448715","UNCO-05174":"1.026617301","UNCO-05175":"1.041039606","UNCO-05176":"0.973666062","UNCO-05177":"1.093915837","UNCO-05178":"1.029042548","UNCO-05179":"0.784250892","UNCO-05180":"1.554337839","UNCO-05181":"1.534398303","UNCO-05182":"NA"},{"Metabolite":"caproate (6:0)","UNCO-05151":"0.583363142","UNCO-05152":"1","UNCO-05153":"0.964930958","UNCO-05154":"1.19750469","UNCO-05155":"0.79333588","UNCO-05156":"0.763068828","UNCO-05157":"0.605588212","UNCO-05158":"0.776678616","UNCO-05159":"1.403450364","UNCO-05160":"0.848104802","UNCO-05161":"0.829651727","UNCO-05162":"0.7256161","UNCO-05163":"1.30895252","UNCO-05164":"1.589694943","UNCO-05165":"0.984195398","UNCO-05166":"0.576765947","UNCO-05167":"1.208886263","UNCO-05168":"1.06870605","UNCO-05169":"1.068905247","UNCO-05170":"0.912114534","UNCO-05171":"1.293718788","UNCO-05173":"1.538339703","UNCO-05174":"1.522579434","UNCO-05175":"0.674245677","UNCO-05176":"1.564810468","UNCO-05177":"1.6034268","UNCO-05178":"1.531370835","UNCO-05179":"0.788957184","UNCO-05180":"1.792069641","UNCO-05181":"1.648360965","UNCO-05182":"0.520758116"},{"Metabolite":"caprylate (8:0)","UNCO-05151":"0.630037678","UNCO-05152":"1.432525899","UNCO-05153":"1.021766918","UNCO-05154":"1.760027673","UNCO-05155":"0.664677361","UNCO-05156":"1.363714999","UNCO-05157":"0.50491136","UNCO-05158":"1.180484728","UNCO-05159":"2.215991909","UNCO-05160":"1.404461465","UNCO-05161":"1","UNCO-05162":"0.929602172","UNCO-05163":"1.268072733","UNCO-05164":"2.917046458","UNCO-05165":"1.531579599","UNCO-05166":"0.826288782","UNCO-05167":"0.47511193","UNCO-05168":"0.476399374","UNCO-05169":"0.657091565","UNCO-05170":"0.792126767","UNCO-05171":"0.803855974","UNCO-05173":"1.277252985","UNCO-05174":"1.443271329","UNCO-05175":"0.4817014","UNCO-05176":"0.734158335","UNCO-05177":"0.890269468","UNCO-05178":"1.345828816","UNCO-05179":"0.636051605","UNCO-05180":"1.978551806","UNCO-05181":"1.488311784","UNCO-05182":"0.396415569"},{"Metabolite":"pentadecanoate (15:0)","UNCO-05151":"0.774532478","UNCO-05152":"0.926747099","UNCO-05153":"1","UNCO-05154":"1.193243614","UNCO-05155":"0.721394546","UNCO-05156":"0.895008056","UNCO-05157":"0.500157267","UNCO-05158":"0.850196931","UNCO-05159":"1.11983782","UNCO-05160":"0.961955942","UNCO-05161":"0.77124006","UNCO-05162":"0.607535729","UNCO-05163":"1.486919302","UNCO-05164":"1.755350808","UNCO-05165":"1.427189765","UNCO-05166":"1.232102689","UNCO-05167":"0.945829905","UNCO-05168":"0.892074017","UNCO-05169":"0.913641579","UNCO-05170":"1.893711932","UNCO-05171":"1.411743492","UNCO-05173":"1.183604599","UNCO-05174":"1.178563118","UNCO-05175":"0.630192614","UNCO-05176":"1.221823048","UNCO-05177":"1.397502297","UNCO-05178":"1.304536551","UNCO-05179":"0.559044449","UNCO-05180":"0.912579795","UNCO-05181":"1.288563892","UNCO-05182":"1.185279853"},{"Metabolite":"5-oxoproline","UNCO-05151":"0.960860038","UNCO-05152":"1.809989997","UNCO-05153":"1.109178536","UNCO-05154":"1.256734244","UNCO-05155":"1.020913507","UNCO-05156":"1.109750706","UNCO-05157":"1.021580212","UNCO-05158":"0.907141616","UNCO-05159":"1.362452309","UNCO-05160":"1.285583407","UNCO-05161":"1.353752521","UNCO-05162":"1.024379551","UNCO-05163":"1.421965395","UNCO-05164":"0.926395273","UNCO-05165":"0.980500095","UNCO-05166":"0.846289855","UNCO-05167":"0.716985887","UNCO-05168":"1.463335209","UNCO-05169":"0.748503834","UNCO-05170":"0.805613477","UNCO-05171":"0.902475088","UNCO-05173":"1","UNCO-05174":"1.12419469","UNCO-05175":"1.283865659","UNCO-05176":"0.836336021","UNCO-05177":"0.750426031","UNCO-05178":"0.814027902","UNCO-05179":"0.64930803","UNCO-05180":"0.995920194","UNCO-05181":"1.001201928","UNCO-05182":"0.936492872"},{"Metabolite":"pantothenate","UNCO-05151":"0.897270717","UNCO-05152":"1.213946676","UNCO-05153":"0.966062879","UNCO-05154":"1.029438932","UNCO-05155":"1.469231985","UNCO-05156":"1.69020405","UNCO-05157":"0.493646267","UNCO-05158":"1","UNCO-05159":"0.939160615","UNCO-05160":"0.981677901","UNCO-05161":"1.155658324","UNCO-05162":"2.011010656","UNCO-05163":"0.922194235","UNCO-05164":"0.967033362","UNCO-05165":"1.428490622","UNCO-05166":"0.742057351","UNCO-05167":"0.999261424","UNCO-05168":"0.939138736","UNCO-05169":"1.006843475","UNCO-05170":"0.926359865","UNCO-05171":"1.061431726","UNCO-05173":"1.440430654","UNCO-05174":"1.194753744","UNCO-05175":"1.305340355","UNCO-05176":"0.615665741","UNCO-05177":"0.735821906","UNCO-05178":"1.546399923","UNCO-05179":"0.943044051","UNCO-05180":"1.499991493","UNCO-05181":"1.416516673","UNCO-05182":"0.983458025"},{"Metabolite":"N-acetylleucine","UNCO-05151":"1","UNCO-05152":"0.77839846","UNCO-05153":"0.94231208","UNCO-05154":"0.72214592","UNCO-05155":"0.979397249","UNCO-05156":"0.772638469","UNCO-05157":"0.702841639","UNCO-05158":"0.595857501","UNCO-05159":"0.568944947","UNCO-05160":"0.945504469","UNCO-05161":"0.664894808","UNCO-05162":"0.793706279","UNCO-05163":"0.759685281","UNCO-05164":"0.518583875","UNCO-05165":"0.923966168","UNCO-05166":"2.764470605","UNCO-05167":"4.683095118","UNCO-05168":"1.768298646","UNCO-05169":"3.989913225","UNCO-05170":"1.845354955","UNCO-05171":"2.279272075","UNCO-05173":"2.572024331","UNCO-05174":"1.748808559","UNCO-05175":"2.36035201","UNCO-05176":"1.189207162","UNCO-05177":"1.555072508","UNCO-05178":"3.376813783","UNCO-05179":"0.324488164","UNCO-05180":"1.66799375","UNCO-05181":"2.266509039","UNCO-05182":"7.043267841"},{"Metabolite":"N-acetylmethionine","UNCO-05151":"1.007333481","UNCO-05152":"0.284141262","UNCO-05153":"0.96759783","UNCO-05154":"0.636806636","UNCO-05155":"0.835053065","UNCO-05156":"0.774614975","UNCO-05157":"0.661414877","UNCO-05158":"0.616303696","UNCO-05159":"1.057620693","UNCO-05160":"1.081023522","UNCO-05161":"0.836702088","UNCO-05162":"0.692815343","UNCO-05163":"0.906909736","UNCO-05164":"0.802160986","UNCO-05165":"1.036504946","UNCO-05166":"1.773535829","UNCO-05167":"1.997147249","UNCO-05168":"0.978263871","UNCO-05169":"1.89642215","UNCO-05170":"1.461206287","UNCO-05171":"1.191731988","UNCO-05173":"1.039233116","UNCO-05174":"0.764874038","UNCO-05175":"1.143241951","UNCO-05176":"0.907073039","UNCO-05177":"1.101993643","UNCO-05178":"1.007926928","UNCO-05179":"0.270917089","UNCO-05180":"1","UNCO-05181":"1.191774918","UNCO-05182":"2.677810831"},{"Metabolite":"N-acetylvaline","UNCO-05151":"0.991900418","UNCO-05152":"1","UNCO-05153":"0.708801983","UNCO-05154":"0.702519068","UNCO-05155":"0.724843747","UNCO-05156":"0.600300373","UNCO-05157":"0.745804285","UNCO-05158":"0.480164221","UNCO-05159":"0.718764141","UNCO-05160":"1.609219751","UNCO-05161":"0.777100809","UNCO-05162":"NA","UNCO-05163":"0.7886173","UNCO-05164":"0.594535569","UNCO-05165":"0.89547276","UNCO-05166":"1.382897093","UNCO-05167":"2.397273031","UNCO-05168":"1.157669681","UNCO-05169":"2.904411813","UNCO-05170":"1.562432367","UNCO-05171":"1.588318238","UNCO-05173":"1.538350046","UNCO-05174":"1.02761728","UNCO-05175":"1.251264125","UNCO-05176":"1.395777724","UNCO-05177":"0.958846252","UNCO-05178":"2.153144409","UNCO-05179":"NA","UNCO-05180":"0.984450114","UNCO-05181":"1.579490677","UNCO-05182":"4.113925379"},{"Metabolite":"erucate (22:1n9)","UNCO-05151":"1.084407194","UNCO-05152":"1.783392739","UNCO-05153":"2.736107947","UNCO-05154":"1.781410432","UNCO-05155":"1.190853732","UNCO-05156":"1.037801367","UNCO-05157":"0.99175407","UNCO-05158":"0.458239595","UNCO-05159":"1.188109302","UNCO-05160":"2.602958942","UNCO-05161":"0.72151205","UNCO-05162":"0.763356623","UNCO-05163":"1.264897385","UNCO-05164":"1.293453438","UNCO-05165":"1","UNCO-05166":"0.617879612","UNCO-05167":"0.632910735","UNCO-05168":"0.80237828","UNCO-05169":"0.670299498","UNCO-05170":"1.285485552","UNCO-05171":"0.967034973","UNCO-05173":"0.821394089","UNCO-05174":"1.091323974","UNCO-05175":"0.747892398","UNCO-05176":"1.017754949","UNCO-05177":"0.641359728","UNCO-05178":"0.873381616","UNCO-05179":"0.412843331","UNCO-05180":"0.807091104","UNCO-05181":"1.137985664","UNCO-05182":"1.035398597"},{"Metabolite":"thyroxine","UNCO-05151":"0.79275095","UNCO-05152":"0.802066252","UNCO-05153":"0.861673865","UNCO-05154":"1","UNCO-05155":"0.783008814","UNCO-05156":"0.58545312","UNCO-05157":"0.435573384","UNCO-05158":"1.219582209","UNCO-05159":"0.530257376","UNCO-05160":"0.809965028","UNCO-05161":"0.786354068","UNCO-05162":"1.166063783","UNCO-05163":"0.960113998","UNCO-05164":"0.791507972","UNCO-05165":"0.966478047","UNCO-05166":"1.579636919","UNCO-05167":"0.949896246","UNCO-05168":"1.479737108","UNCO-05169":"1.368638296","UNCO-05170":"1.2170728","UNCO-05171":"1.738551466","UNCO-05173":"1.618594206","UNCO-05174":"1.79817315","UNCO-05175":"0.907829169","UNCO-05176":"1.867058541","UNCO-05177":"1.221843023","UNCO-05178":"1.83967737","UNCO-05179":"0.499027194","UNCO-05180":"1.361288307","UNCO-05181":"1.559153574","UNCO-05182":"1.430348184"},{"Metabolite":"guanosine","UNCO-05151":"0.694947562","UNCO-05152":"1.437056526","UNCO-05153":"1.358497677","UNCO-05154":"0.932921659","UNCO-05155":"0.678502316","UNCO-05156":"0.920933806","UNCO-05157":"0.458031644","UNCO-05158":"0.738579287","UNCO-05159":"1.214737666","UNCO-05160":"0.577199887","UNCO-05161":"1","UNCO-05162":"2.083443862","UNCO-05163":"0.707239822","UNCO-05164":"0.696491343","UNCO-05165":"1.036731824","UNCO-05166":"2.988164351","UNCO-05167":"NA","UNCO-05168":"2.375261827","UNCO-05169":"0.563798714","UNCO-05170":"NA","UNCO-05171":"3.547251999","UNCO-05173":"0.623440818","UNCO-05174":"NA","UNCO-05175":"0.390561922","UNCO-05176":"NA","UNCO-05177":"1.756046473","UNCO-05178":"NA","UNCO-05179":"3.272705529","UNCO-05180":"4.117022896","UNCO-05181":"NA","UNCO-05182":"1.775398085"},{"Metabolite":"gamma-glutamyltyrosine","UNCO-05151":"0.855802659","UNCO-05152":"1.65921716","UNCO-05153":"1.084205165","UNCO-05154":"1.148106377","UNCO-05155":"0.69008348","UNCO-05156":"0.854510965","UNCO-05157":"0.723868291","UNCO-05158":"0.700663562","UNCO-05159":"1.134728855","UNCO-05160":"1.399493656","UNCO-05161":"1.015475233","UNCO-05162":"0.851787335","UNCO-05163":"1.388049985","UNCO-05164":"0.979421469","UNCO-05165":"1.104078063","UNCO-05166":"0.632190492","UNCO-05167":"0.842566854","UNCO-05168":"1.429660248","UNCO-05169":"2.045869162","UNCO-05170":"1.439295547","UNCO-05171":"0.928106524","UNCO-05173":"0.90319233","UNCO-05174":"1","UNCO-05175":"1.15248485","UNCO-05176":"0.610399982","UNCO-05177":"0.775140426","UNCO-05178":"0.988331943","UNCO-05179":"0.27794008","UNCO-05180":"1.018234291","UNCO-05181":"1.520961611","UNCO-05182":"2.254385486"},{"Metabolite":"chenodeoxycholate","UNCO-05151":"0.498132712","UNCO-05152":"NA","UNCO-05153":"0.074223565","UNCO-05154":"0.112156282","UNCO-05155":"4.333110627","UNCO-05156":"0.602030362","UNCO-05157":"0.336238018","UNCO-05158":"NA","UNCO-05159":"0.723042474","UNCO-05160":"0.044770258","UNCO-05161":"0.472782579","UNCO-05162":"2.807906979","UNCO-05163":"0.341799555","UNCO-05164":"NA","UNCO-05165":"0.783859183","UNCO-05166":"2.081118861","UNCO-05167":"8.230962021","UNCO-05168":"8.8941948","UNCO-05169":"22.11045094","UNCO-05170":"44.89069302","UNCO-05171":"1.752872012","UNCO-05173":"0.231017931","UNCO-05174":"0.793158604","UNCO-05175":"1.671388432","UNCO-05176":"0.329236244","UNCO-05177":"0.098643012","UNCO-05178":"5.323168656","UNCO-05179":"1.536874054","UNCO-05180":"1.206841396","UNCO-05181":"1.950999674","UNCO-05182":"1.221970264"},{"Metabolite":"citrate","UNCO-05151":"1.241139479","UNCO-05152":"1.369930849","UNCO-05153":"1.017112122","UNCO-05154":"1.262870833","UNCO-05155":"0.800091923","UNCO-05156":"0.760738425","UNCO-05157":"0.773435844","UNCO-05158":"0.590363782","UNCO-05159":"1.234952731","UNCO-05160":"1.232987699","UNCO-05161":"1.254722008","UNCO-05162":"0.711755761","UNCO-05163":"1.067302848","UNCO-05164":"0.951050763","UNCO-05165":"0.829991254","UNCO-05166":"0.985067304","UNCO-05167":"1.063448302","UNCO-05168":"0.780545592","UNCO-05169":"1.304658282","UNCO-05170":"1.010669553","UNCO-05171":"1.328954554","UNCO-05173":"0.928725156","UNCO-05174":"0.897657603","UNCO-05175":"0.88835243","UNCO-05176":"1","UNCO-05177":"1.292221897","UNCO-05178":"0.984945357","UNCO-05179":"0.652544543","UNCO-05180":"0.976459735","UNCO-05181":"1.090554015","UNCO-05182":"1.560859219"},{"Metabolite":"5,6-dihydrouracil","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"1.049575167","UNCO-05154":"NA","UNCO-05155":"0.831330832","UNCO-05156":"1.663309634","UNCO-05157":"NA","UNCO-05158":"0.663779757","UNCO-05159":"0.930401203","UNCO-05160":"NA","UNCO-05161":"2.159392177","UNCO-05162":"0.950424833","UNCO-05163":"NA","UNCO-05164":"0.604558119","UNCO-05165":"1.055125644","UNCO-05166":"1.294245619","UNCO-05167":"NA","UNCO-05168":"0.703984184","UNCO-05169":"0.778379332","UNCO-05170":"1.110371231","UNCO-05171":"1.505632508","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.864300062","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.601369283"},{"Metabolite":"urate","UNCO-05151":"1.004659762","UNCO-05152":"1.024248321","UNCO-05153":"2.430063299","UNCO-05154":"1.1111558","UNCO-05155":"1.432367451","UNCO-05156":"1.665560389","UNCO-05157":"0.471690356","UNCO-05158":"1.254982243","UNCO-05159":"1.775828219","UNCO-05160":"1.167512033","UNCO-05161":"1.366867491","UNCO-05162":"1.483001649","UNCO-05163":"1.284798343","UNCO-05164":"1.110628502","UNCO-05165":"1.91097483","UNCO-05166":"0.281824185","UNCO-05167":"0.145526976","UNCO-05168":"1","UNCO-05169":"0.245919864","UNCO-05170":"0.173463486","UNCO-05171":"0.310890332","UNCO-05173":"0.416301186","UNCO-05174":"0.191497025","UNCO-05175":"0.299177084","UNCO-05176":"0.187365841","UNCO-05177":"0.203603789","UNCO-05178":"0.165178907","UNCO-05179":"0.199560442","UNCO-05180":"0.28035039","UNCO-05181":"0.22733441","UNCO-05182":"1.010701094"},{"Metabolite":"ursodeoxycholate","UNCO-05151":"1.15838328","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"3.915985098","UNCO-05156":"0.488965555","UNCO-05157":"NA","UNCO-05158":"0.175448056","UNCO-05159":"0.471790513","UNCO-05160":"NA","UNCO-05161":"0.12041575","UNCO-05162":"2.275291847","UNCO-05163":"0.2197504","UNCO-05164":"NA","UNCO-05165":"0.864787426","UNCO-05166":"0.399902265","UNCO-05167":"1","UNCO-05168":"5.986511739","UNCO-05169":"4.695038906","UNCO-05170":"12.64285052","UNCO-05171":"3.052140354","UNCO-05173":"0.444866199","UNCO-05174":"0.955163038","UNCO-05175":"0.266125226","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"6.916415716","UNCO-05179":"1.847259871","UNCO-05180":"2.808818702","UNCO-05181":"2.332450516","UNCO-05182":"0.345275099"},{"Metabolite":"valerate (5:0)","UNCO-05151":"NA","UNCO-05152":"0.874237322","UNCO-05153":"NA","UNCO-05154":"1.084115549","UNCO-05155":"0.63158134","UNCO-05156":"0.607658752","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.344271566","UNCO-05160":"NA","UNCO-05161":"0.489293377","UNCO-05162":"0.570140813","UNCO-05163":"0.915884451","UNCO-05164":"0.625252568","UNCO-05165":"NA","UNCO-05166":"0.514915384","UNCO-05167":"1.386796823","UNCO-05168":"1.482518436","UNCO-05169":"0.618221862","UNCO-05170":"0.627653921","UNCO-05171":"1.715938446","UNCO-05173":"2.666044304","UNCO-05174":"1.841590292","UNCO-05175":"0.856137659","UNCO-05176":"1.289290535","UNCO-05177":"1.255540873","UNCO-05178":"2.227554457","UNCO-05179":"0.81105759","UNCO-05180":"4.841959731","UNCO-05181":"2.432192336","UNCO-05182":"NA"},{"Metabolite":"oleoyl ethanolamide","UNCO-05151":"1.163734928","UNCO-05152":"1","UNCO-05153":"1.068211527","UNCO-05154":"1.799816343","UNCO-05155":"0.933251206","UNCO-05156":"0.735329809","UNCO-05157":"0.806069547","UNCO-05158":"0.928960857","UNCO-05159":"1.178695951","UNCO-05160":"1.40788086","UNCO-05161":"0.977899268","UNCO-05162":"0.92797483","UNCO-05163":"1.677894334","UNCO-05164":"1.271712886","UNCO-05165":"1.374592605","UNCO-05166":"1.083906007","UNCO-05167":"1.359542095","UNCO-05168":"0.996656372","UNCO-05169":"0.933296368","UNCO-05170":"2.089897441","UNCO-05171":"0.884521877","UNCO-05173":"1.289000566","UNCO-05174":"0.778621351","UNCO-05175":"0.649470146","UNCO-05176":"0.910723112","UNCO-05177":"0.916602479","UNCO-05178":"1.294828081","UNCO-05179":"0.14947391","UNCO-05180":"0.796677614","UNCO-05181":"1.053460421","UNCO-05182":"1.789186649"},{"Metabolite":"4-hydroxyphenylpyruvate","UNCO-05151":"0.230480733","UNCO-05152":"14.62264145","UNCO-05153":"0.470111501","UNCO-05154":"0.336795006","UNCO-05155":"0.659899469","UNCO-05156":"0.302236039","UNCO-05157":"0.233589483","UNCO-05158":"0.550921391","UNCO-05159":"0.901180797","UNCO-05160":"0.486341029","UNCO-05161":"0.28325313","UNCO-05162":"1","UNCO-05163":"0.659240126","UNCO-05164":"0.775283011","UNCO-05165":"1.163008953","UNCO-05166":"1.385460094","UNCO-05167":"3.256145179","UNCO-05168":"1.514628161","UNCO-05169":"1.994340518","UNCO-05170":"2.023383912","UNCO-05171":"1.364656283","UNCO-05173":"0.787741508","UNCO-05174":"1.05979462","UNCO-05175":"1.269091208","UNCO-05176":"1.281041615","UNCO-05177":"0.79200007","UNCO-05178":"1.282411697","UNCO-05179":"0.26500152","UNCO-05180":"1.106516922","UNCO-05181":"1.536921001","UNCO-05182":"5.080403124"},{"Metabolite":"butyrate/isobutyrate (4:0)","UNCO-05151":"0.722190853","UNCO-05152":"2.591351367","UNCO-05153":"0.853176966","UNCO-05154":"0.99326977","UNCO-05155":"0.60984428","UNCO-05156":"0.534553418","UNCO-05157":"1.135085646","UNCO-05158":"0.35703791","UNCO-05159":"1.057246831","UNCO-05160":"0.783586092","UNCO-05161":"0.600058908","UNCO-05162":"0.521802508","UNCO-05163":"1.01826783","UNCO-05164":"0.935297096","UNCO-05165":"0.624358135","UNCO-05166":"0.557554446","UNCO-05167":"1.214853324","UNCO-05168":"1.672702352","UNCO-05169":"1.023792038","UNCO-05170":"0.755421848","UNCO-05171":"1.107133195","UNCO-05173":"1.925155019","UNCO-05174":"1.118568328","UNCO-05175":"0.880178061","UNCO-05176":"1.288529583","UNCO-05177":"1.29848259","UNCO-05178":"2.212656932","UNCO-05179":"0.634735586","UNCO-05180":"2.59777291","UNCO-05181":"1.907364368","UNCO-05182":"1"},{"Metabolite":"dihomo-linoleate (20:2n6)","UNCO-05151":"0.858112759","UNCO-05152":"0.966257069","UNCO-05153":"0.920847473","UNCO-05154":"1.169451083","UNCO-05155":"0.543920477","UNCO-05156":"0.63700996","UNCO-05157":"0.361781215","UNCO-05158":"0.600205076","UNCO-05159":"1","UNCO-05160":"1.482152323","UNCO-05161":"0.900498413","UNCO-05162":"0.482494145","UNCO-05163":"1.683063894","UNCO-05164":"1.162870219","UNCO-05165":"1.198300158","UNCO-05166":"0.974303099","UNCO-05167":"0.791411654","UNCO-05168":"0.850862449","UNCO-05169":"0.909643238","UNCO-05170":"1.611632221","UNCO-05171":"1.431651366","UNCO-05173":"1.479974508","UNCO-05174":"1.372021583","UNCO-05175":"0.552306755","UNCO-05176":"1.195504511","UNCO-05177":"1.236012767","UNCO-05178":"1.446319017","UNCO-05179":"0.346316167","UNCO-05180":"1.044012953","UNCO-05181":"1.7158232","UNCO-05182":"1.15836875"},{"Metabolite":"2-hydroxystearate","UNCO-05151":"0.797554669","UNCO-05152":"0.598523855","UNCO-05153":"0.879887861","UNCO-05154":"0.998581719","UNCO-05155":"1","UNCO-05156":"0.899664829","UNCO-05157":"0.54239702","UNCO-05158":"0.936454253","UNCO-05159":"0.926769047","UNCO-05160":"0.852009839","UNCO-05161":"0.944434533","UNCO-05162":"0.866556092","UNCO-05163":"0.984179048","UNCO-05164":"1.177696217","UNCO-05165":"0.940358348","UNCO-05166":"1.134759643","UNCO-05167":"1.341495063","UNCO-05168":"1.029337512","UNCO-05169":"1.723455228","UNCO-05170":"1.975325441","UNCO-05171":"1.319795119","UNCO-05173":"1.082305202","UNCO-05174":"1.130192411","UNCO-05175":"1.185658528","UNCO-05176":"1.307316201","UNCO-05177":"1.474547275","UNCO-05178":"1.368526973","UNCO-05179":"0.385471526","UNCO-05180":"1.273012159","UNCO-05181":"1.180457964","UNCO-05182":"0.877247494"},{"Metabolite":"glycerol","UNCO-05151":"1.922605955","UNCO-05152":"2.234396451","UNCO-05153":"1.799581861","UNCO-05154":"2.923102953","UNCO-05155":"1.224915797","UNCO-05156":"1.662614802","UNCO-05157":"0.819493327","UNCO-05158":"1.0109213","UNCO-05159":"1.944177613","UNCO-05160":"2.08665385","UNCO-05161":"1.606572521","UNCO-05162":"1.442513166","UNCO-05163":"2.948806343","UNCO-05164":"2.648778876","UNCO-05165":"1.493131172","UNCO-05166":"0.677937385","UNCO-05167":"0.385314722","UNCO-05168":"0.506713434","UNCO-05169":"0.611319489","UNCO-05170":"0.972906315","UNCO-05171":"1","UNCO-05173":"0.687240595","UNCO-05174":"0.546524212","UNCO-05175":"0.329431307","UNCO-05176":"0.827255797","UNCO-05177":"0.873714119","UNCO-05178":"0.503020798","UNCO-05179":"0.212916639","UNCO-05180":"0.671009959","UNCO-05181":"0.481121945","UNCO-05182":"3.58308822"},{"Metabolite":"cinnamate","UNCO-05151":"0.23539908","UNCO-05152":"0.380639069","UNCO-05153":"0.242465183","UNCO-05154":"0.541285654","UNCO-05155":"0.208800849","UNCO-05156":"0.36708071","UNCO-05157":"0.196490264","UNCO-05158":"0.196483876","UNCO-05159":"1","UNCO-05160":"0.288378352","UNCO-05161":"0.321972419","UNCO-05162":"0.188903546","UNCO-05163":"0.2555519","UNCO-05164":"1.480015927","UNCO-05165":"0.35042634","UNCO-05166":"2.46125035","UNCO-05167":"5.067849283","UNCO-05168":"2.987003778","UNCO-05169":"2.353205085","UNCO-05170":"3.206871698","UNCO-05171":"2.693898366","UNCO-05173":"2.028930886","UNCO-05174":"1.402939295","UNCO-05175":"1.637521785","UNCO-05176":"1.709101614","UNCO-05177":"5.033499313","UNCO-05178":"1.910787386","UNCO-05179":"0.651173833","UNCO-05180":"3.599273055","UNCO-05181":"3.252345165","UNCO-05182":"0.490603903"},{"Metabolite":"12-HHTrE","UNCO-05151":"0.396729604","UNCO-05152":"0.342666412","UNCO-05153":"1.374880992","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"1.130428786","UNCO-05157":"NA","UNCO-05158":"0.24967078","UNCO-05159":"0.265604563","UNCO-05160":"0.240125637","UNCO-05161":"0.257536459","UNCO-05162":"0.923205086","UNCO-05163":"0.533284544","UNCO-05164":"0.481975228","UNCO-05165":"0.606146618","UNCO-05166":"1.901251924","UNCO-05167":"1.076794914","UNCO-05168":"3.622487476","UNCO-05169":"NA","UNCO-05170":"0.827175296","UNCO-05171":"6.289668734","UNCO-05173":"8.763491329","UNCO-05174":"0.549540872","UNCO-05175":"3.289206047","UNCO-05176":"6.332549583","UNCO-05177":"0.557395428","UNCO-05178":"NA","UNCO-05179":"2.361253971","UNCO-05180":"5.196762081","UNCO-05181":"4.002111009","UNCO-05182":"1.284699298"},{"Metabolite":"beta-hydroxyisovalerate","UNCO-05151":"0.970692765","UNCO-05152":"1.496282794","UNCO-05153":"0.86653942","UNCO-05154":"0.657915883","UNCO-05155":"1.077458175","UNCO-05156":"0.902672189","UNCO-05157":"1.186951128","UNCO-05158":"0.633414771","UNCO-05159":"0.493898819","UNCO-05160":"1.193542846","UNCO-05161":"1","UNCO-05162":"0.644935724","UNCO-05163":"0.973374498","UNCO-05164":"0.644169379","UNCO-05165":"0.656056803","UNCO-05166":"1.154776061","UNCO-05167":"3.199455064","UNCO-05168":"1.752708932","UNCO-05169":"0.922956014","UNCO-05170":"1.584352424","UNCO-05171":"0.980084556","UNCO-05173":"1.926391686","UNCO-05174":"0.878232156","UNCO-05175":"1.364232748","UNCO-05176":"1.883017283","UNCO-05177":"2.679165513","UNCO-05178":"1.700934312","UNCO-05179":"0.60481853","UNCO-05180":"2.071319775","UNCO-05181":"0.979398376","UNCO-05182":"1.498494985"},{"Metabolite":"palmitoyl ethanolamide","UNCO-05151":"1.07427374","UNCO-05152":"1.075466472","UNCO-05153":"0.803113286","UNCO-05154":"1.556314036","UNCO-05155":"1.05229696","UNCO-05156":"0.865657539","UNCO-05157":"0.899866722","UNCO-05158":"0.860595585","UNCO-05159":"0.999025406","UNCO-05160":"1.301674302","UNCO-05161":"1.016526447","UNCO-05162":"1.008515202","UNCO-05163":"1.414732924","UNCO-05164":"1.16510152","UNCO-05165":"0.91407955","UNCO-05166":"0.849946377","UNCO-05167":"1.067860267","UNCO-05168":"1.052181903","UNCO-05169":"0.873155456","UNCO-05170":"1.343239796","UNCO-05171":"1.032894107","UNCO-05173":"1","UNCO-05174":"0.777171491","UNCO-05175":"0.672224594","UNCO-05176":"0.814347147","UNCO-05177":"0.883936381","UNCO-05178":"1.145881924","UNCO-05179":"0.413353811","UNCO-05180":"0.836267701","UNCO-05181":"0.995116618","UNCO-05182":"1.578964494"},{"Metabolite":"linoleamide (18:2n6)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.023983737","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"2.023951061","UNCO-05167":"1.836517085","UNCO-05168":"0.821869223","UNCO-05169":"5.816166125","UNCO-05170":"0.782704453","UNCO-05171":"2.126620185","UNCO-05173":"1.651154826","UNCO-05174":"0.510565994","UNCO-05175":"0.231504878","UNCO-05176":"0.699763261","UNCO-05177":"1.86683492","UNCO-05178":"1","UNCO-05179":"NA","UNCO-05180":"0.781120281","UNCO-05181":"2.075697954","UNCO-05182":"NA"},{"Metabolite":"oleamide","UNCO-05151":"0.257260049","UNCO-05152":"0.132703509","UNCO-05153":"0.140660315","UNCO-05154":"0.195837868","UNCO-05155":"0.282130608","UNCO-05156":"0.166460955","UNCO-05157":"0.417485313","UNCO-05158":"0.195629118","UNCO-05159":"0.273205474","UNCO-05160":"0.247728325","UNCO-05161":"0.129634813","UNCO-05162":"0.265468856","UNCO-05163":"0.155471555","UNCO-05164":"0.20433192","UNCO-05165":"1","UNCO-05166":"38.51351209","UNCO-05167":"34.93841196","UNCO-05168":"21.6925774","UNCO-05169":"59.62959317","UNCO-05170":"18.65742948","UNCO-05171":"40.40757255","UNCO-05173":"36.85436329","UNCO-05174":"11.29511028","UNCO-05175":"7.363687869","UNCO-05176":"16.01988487","UNCO-05177":"36.74904677","UNCO-05178":"22.13631588","UNCO-05179":"11.27115944","UNCO-05180":"17.55643309","UNCO-05181":"49.3752499","UNCO-05182":"0.070893139"},{"Metabolite":"biopterin","UNCO-05151":"1","UNCO-05152":"1.038281587","UNCO-05153":"1.171996151","UNCO-05154":"1.372711788","UNCO-05155":"1.255837361","UNCO-05156":"1.626834718","UNCO-05157":"0.593303764","UNCO-05158":"1.303675519","UNCO-05159":"3.48457012","UNCO-05160":"1.370571514","UNCO-05161":"1.068709974","UNCO-05162":"1.371893285","UNCO-05163":"1.554198144","UNCO-05164":"1.368901326","UNCO-05165":"1.592324879","UNCO-05166":"0.754310965","UNCO-05167":"0.789379376","UNCO-05168":"1.092911104","UNCO-05169":"0.885005918","UNCO-05170":"0.65485737","UNCO-05171":"0.800368326","UNCO-05173":"0.903267374","UNCO-05174":"0.795291398","UNCO-05175":"0.800528708","UNCO-05176":"0.649459678","UNCO-05177":"0.599508898","UNCO-05178":"0.836725326","UNCO-05179":"0.352934995","UNCO-05180":"0.798145096","UNCO-05181":"0.817219525","UNCO-05182":"1.672012742"},{"Metabolite":"glycochenodeoxycholate","UNCO-05151":"0.236693124","UNCO-05152":"0.127169151","UNCO-05153":"0.342804852","UNCO-05154":"0.226102847","UNCO-05155":"0.334872171","UNCO-05156":"1","UNCO-05157":"0.147133312","UNCO-05158":"0.718256452","UNCO-05159":"1.777523015","UNCO-05160":"0.205872833","UNCO-05161":"0.239209866","UNCO-05162":"2.668646416","UNCO-05163":"0.257854091","UNCO-05164":"2.059550139","UNCO-05165":"2.073665535","UNCO-05166":"6.353707623","UNCO-05167":"1.376492625","UNCO-05168":"4.267463044","UNCO-05169":"11.50885384","UNCO-05170":"6.446106","UNCO-05171":"19.68909751","UNCO-05173":"0.349378417","UNCO-05174":"5.29871523","UNCO-05175":"1.763445865","UNCO-05176":"0.175897674","UNCO-05177":"0.13556171","UNCO-05178":"1.98257217","UNCO-05179":"0.766929939","UNCO-05180":"0.339490551","UNCO-05181":"1.494404494","UNCO-05182":"2.662124156"},{"Metabolite":"taurochenodeoxycholate","UNCO-05151":"0.844294895","UNCO-05152":"0.882004633","UNCO-05153":"1.130091715","UNCO-05154":"1","UNCO-05155":"2.01947455","UNCO-05156":"0.279390952","UNCO-05157":"0.717290873","UNCO-05158":"0.460017724","UNCO-05159":"6.298081642","UNCO-05160":"1.142300363","UNCO-05161":"0.773502547","UNCO-05162":"1.304459085","UNCO-05163":"0.418582058","UNCO-05164":"0.922261568","UNCO-05165":"0.429202122","UNCO-05166":"3.799682759","UNCO-05167":"4.518883994","UNCO-05168":"1.138257559","UNCO-05169":"1.327712073","UNCO-05170":"1.008027779","UNCO-05171":"2.298054197","UNCO-05173":"0.862991325","UNCO-05174":"0.804448093","UNCO-05175":"2.065554989","UNCO-05176":"1.87942299","UNCO-05177":"1.220636002","UNCO-05178":"0.625082247","UNCO-05179":"0.40241252","UNCO-05180":"0.753292585","UNCO-05181":"0.288978891","UNCO-05182":"1.918680146"},{"Metabolite":"taurocholate","UNCO-05151":"1.302454428","UNCO-05152":"0.557466526","UNCO-05153":"0.817246503","UNCO-05154":"0.825675311","UNCO-05155":"2.198478916","UNCO-05156":"0.25512483","UNCO-05157":"2.606606158","UNCO-05158":"0.460444415","UNCO-05159":"4.909084749","UNCO-05160":"1","UNCO-05161":"1.596162984","UNCO-05162":"0.580329376","UNCO-05163":"0.886913298","UNCO-05164":"1.04083636","UNCO-05165":"0.367720392","UNCO-05166":"0.716426317","UNCO-05167":"1.904075356","UNCO-05168":"0.696345181","UNCO-05169":"0.33076635","UNCO-05170":"0.121365019","UNCO-05171":"3.672902656","UNCO-05173":"1.098152684","UNCO-05174":"1.337346175","UNCO-05175":"1.399979834","UNCO-05176":"1.55123478","UNCO-05177":"1.440322925","UNCO-05178":"0.514859621","UNCO-05179":"0.417049463","UNCO-05180":"1.224939295","UNCO-05181":"0.404188161","UNCO-05182":"1.172991551"},{"Metabolite":"taurodeoxycholate","UNCO-05151":"0.885869851","UNCO-05152":"NA","UNCO-05153":"0.24326034","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"0.381553908","UNCO-05157":"0.586238492","UNCO-05158":"1.808491649","UNCO-05159":"NA","UNCO-05160":"0.447910088","UNCO-05161":"1.04527062","UNCO-05162":"NA","UNCO-05163":"1.64937853","UNCO-05164":"2.46972797","UNCO-05165":"0.400248277","UNCO-05166":"0.9119695","UNCO-05167":"NA","UNCO-05168":"0.12844933","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"3.461538644","UNCO-05173":"1.576267317","UNCO-05174":"1.094367516","UNCO-05175":"1.784513223","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"2.278590133","UNCO-05179":"0.95472938","UNCO-05180":"1.572033316","UNCO-05181":"0.769978965","UNCO-05182":"NA"},{"Metabolite":"2-hydroxyhippurate (salicylurate)","UNCO-05151":"1.748594633","UNCO-05152":"2.067505064","UNCO-05153":"2.420291368","UNCO-05154":"2.812665145","UNCO-05155":"4.952371691","UNCO-05156":"6.623465956","UNCO-05157":"0.534158132","UNCO-05158":"0.728950327","UNCO-05159":"4.326652403","UNCO-05160":"4.149393498","UNCO-05161":"2.620757214","UNCO-05162":"5.412231557","UNCO-05163":"1.057253592","UNCO-05164":"2.51482692","UNCO-05165":"5.12115807","UNCO-05166":"0.282245172","UNCO-05167":"0.859425329","UNCO-05168":"0.893723405","UNCO-05169":"0.840559016","UNCO-05170":"1.232752527","UNCO-05171":"0.303620985","UNCO-05173":"0.17893823","UNCO-05174":"0.210783732","UNCO-05175":"0.942746408","UNCO-05176":"0.514547033","UNCO-05177":"0.476776455","UNCO-05178":"0.38082249","UNCO-05179":"NA","UNCO-05180":"0.316481577","UNCO-05181":"0.630320827","UNCO-05182":"3.12536587"},{"Metabolite":"azelate (C9-DC)","UNCO-05151":"0.854182719","UNCO-05152":"2.976529046","UNCO-05153":"1","UNCO-05154":"1.54187522","UNCO-05155":"1.496335751","UNCO-05156":"1.090862809","UNCO-05157":"0.817135416","UNCO-05158":"0.192285763","UNCO-05159":"3.220910199","UNCO-05160":"1.836642627","UNCO-05161":"0.822542764","UNCO-05162":"0.5966513","UNCO-05163":"1.218834672","UNCO-05164":"3.189143998","UNCO-05165":"1.235971323","UNCO-05166":"0.569456061","UNCO-05167":"0.872776013","UNCO-05168":"0.936468969","UNCO-05169":"1.359289888","UNCO-05170":"1.262374088","UNCO-05171":"1.116999357","UNCO-05173":"0.498492927","UNCO-05174":"0.594717114","UNCO-05175":"1.18709866","UNCO-05176":"0.7905275","UNCO-05177":"1.235483488","UNCO-05178":"0.798520166","UNCO-05179":"0.274301679","UNCO-05180":"0.750813229","UNCO-05181":"0.657177105","UNCO-05182":"4.634287298"},{"Metabolite":"eicosapentaenoate (EPA; 20:5n3)","UNCO-05151":"0.763360418","UNCO-05152":"0.758135864","UNCO-05153":"0.944724935","UNCO-05154":"1","UNCO-05155":"0.644392161","UNCO-05156":"0.465478874","UNCO-05157":"0.46522995","UNCO-05158":"1.220041707","UNCO-05159":"0.856260327","UNCO-05160":"0.834418006","UNCO-05161":"0.889348782","UNCO-05162":"0.72482033","UNCO-05163":"1.153085621","UNCO-05164":"2.665821061","UNCO-05165":"0.898029201","UNCO-05166":"2.185848338","UNCO-05167":"1.387899088","UNCO-05168":"1.354282576","UNCO-05169":"0.855404273","UNCO-05170":"2.229659259","UNCO-05171":"2.801361625","UNCO-05173":"1.411124846","UNCO-05174":"1.780752773","UNCO-05175":"0.74750691","UNCO-05176":"2.002694179","UNCO-05177":"3.313069253","UNCO-05178":"2.009698434","UNCO-05179":"0.660612764","UNCO-05180":"1.723140278","UNCO-05181":"1.398164779","UNCO-05182":"0.886511113"},{"Metabolite":"benzoate","UNCO-05151":"0.901774481","UNCO-05152":"0.661445084","UNCO-05153":"1.225307051","UNCO-05154":"0.578982783","UNCO-05155":"0.750088975","UNCO-05156":"0.623939627","UNCO-05157":"1.625239435","UNCO-05158":"0.626671475","UNCO-05159":"0.82301185","UNCO-05160":"0.759406609","UNCO-05161":"0.757206032","UNCO-05162":"0.587887311","UNCO-05163":"1.321036583","UNCO-05164":"0.667160112","UNCO-05165":"0.71269418","UNCO-05166":"1","UNCO-05167":"1.644843932","UNCO-05168":"3.063388138","UNCO-05169":"0.901434993","UNCO-05170":"1.080085885","UNCO-05171":"1.820085407","UNCO-05173":"1.424628732","UNCO-05174":"2.187652014","UNCO-05175":"1.853206591","UNCO-05176":"3.509378357","UNCO-05177":"1.867783945","UNCO-05178":"1.829990111","UNCO-05179":"0.636322501","UNCO-05180":"1.716925589","UNCO-05181":"1.618637237","UNCO-05182":"0.538678894"},{"Metabolite":"3-phenylpropionate (hydrocinnamate)","UNCO-05151":"0.396815184","UNCO-05152":"0.425455677","UNCO-05153":"0.226330143","UNCO-05154":"0.325179185","UNCO-05155":"0.818900353","UNCO-05156":"0.210043831","UNCO-05157":"0.561958028","UNCO-05158":"0.373338201","UNCO-05159":"1","UNCO-05160":"0.414354348","UNCO-05161":"0.562083544","UNCO-05162":"0.72096545","UNCO-05163":"0.313729174","UNCO-05164":"0.549868682","UNCO-05165":"0.346345","UNCO-05166":"6.62581438","UNCO-05167":"6.472565067","UNCO-05168":"4.377859563","UNCO-05169":"5.793863759","UNCO-05170":"5.528373102","UNCO-05171":"6.024888327","UNCO-05173":"7.099512408","UNCO-05174":"3.583426511","UNCO-05175":"5.239933086","UNCO-05176":"7.472263422","UNCO-05177":"6.147873372","UNCO-05178":"5.583786185","UNCO-05179":"1.777458067","UNCO-05180":"8.484246936","UNCO-05181":"7.36261035","UNCO-05182":"0.753594569"},{"Metabolite":"phenylacetate","UNCO-05151":"NA","UNCO-05152":"1.141649507","UNCO-05153":"NA","UNCO-05154":"0.675210065","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"0.453849948","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.314502912","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"1.014299206","UNCO-05167":"0.936837984","UNCO-05168":"0.942699221","UNCO-05169":"1.36800384","UNCO-05170":"1.949606634","UNCO-05171":"0.485098082","UNCO-05173":"0.577590611","UNCO-05174":"1.448919874","UNCO-05175":"2.685636431","UNCO-05176":"0.985700794","UNCO-05177":"0.855793667","UNCO-05178":"1.518352307","UNCO-05179":"NA","UNCO-05180":"1.405825406","UNCO-05181":"1.817279811","UNCO-05182":"NA"},{"Metabolite":"hippurate","UNCO-05151":"1.316328516","UNCO-05152":"1.088078262","UNCO-05153":"1.414440603","UNCO-05154":"1.000843042","UNCO-05155":"1.303169767","UNCO-05156":"0.869764067","UNCO-05157":"1.428376473","UNCO-05158":"0.886635498","UNCO-05159":"1.644769208","UNCO-05160":"1.656702516","UNCO-05161":"1.325206905","UNCO-05162":"0.940773685","UNCO-05163":"1.095270165","UNCO-05164":"1.617415463","UNCO-05165":"0.940404599","UNCO-05166":"0.604440261","UNCO-05167":"0.801822113","UNCO-05168":"1.193094303","UNCO-05169":"0.737351725","UNCO-05170":"0.895846132","UNCO-05171":"0.743480116","UNCO-05173":"0.52128556","UNCO-05174":"0.822607841","UNCO-05175":"1","UNCO-05176":"1.699567259","UNCO-05177":"0.974034824","UNCO-05178":"0.349143684","UNCO-05179":"0.209530174","UNCO-05180":"0.759388787","UNCO-05181":"1.045777767","UNCO-05182":"1.22593103"},{"Metabolite":"suberate (C8-DC)","UNCO-05151":"0.708750104","UNCO-05152":"1.398451358","UNCO-05153":"1.117803845","UNCO-05154":"1.456288243","UNCO-05155":"1","UNCO-05156":"4.541910238","UNCO-05157":"NA","UNCO-05158":"1.23466263","UNCO-05159":"1.677118308","UNCO-05160":"1.304240769","UNCO-05161":"0.361296872","UNCO-05162":"1.07387705","UNCO-05163":"0.536153129","UNCO-05164":"5.530008398","UNCO-05165":"2.819528762","UNCO-05166":"NA","UNCO-05167":"0.305124916","UNCO-05168":"NA","UNCO-05169":"0.609284468","UNCO-05170":"0.693961404","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.432154163","UNCO-05176":"NA","UNCO-05177":"0.547623047","UNCO-05178":"NA","UNCO-05179":"0.290838279","UNCO-05180":"0.683478999","UNCO-05181":"0.777015865","UNCO-05182":"2.001299456"},{"Metabolite":"3-methyl-2-oxovalerate","UNCO-05151":"0.471208504","UNCO-05152":"0.601640495","UNCO-05153":"0.591706859","UNCO-05154":"0.611166416","UNCO-05155":"0.400819333","UNCO-05156":"0.241702149","UNCO-05157":"0.409271853","UNCO-05158":"0.436838465","UNCO-05159":"0.267153482","UNCO-05160":"0.604116237","UNCO-05161":"0.434695261","UNCO-05162":"0.436256798","UNCO-05163":"1","UNCO-05164":"0.697967672","UNCO-05165":"0.299752121","UNCO-05166":"1.569063501","UNCO-05167":"2.691627871","UNCO-05168":"2.414912191","UNCO-05169":"2.936653203","UNCO-05170":"2.617896738","UNCO-05171":"1.396104235","UNCO-05173":"1.698554156","UNCO-05174":"1.148438234","UNCO-05175":"1.639916238","UNCO-05176":"1.958745685","UNCO-05177":"1.292883515","UNCO-05178":"2.42433446","UNCO-05179":"0.310761474","UNCO-05180":"1.832171717","UNCO-05181":"1.634645447","UNCO-05182":"1.024911127"},{"Metabolite":"3-methylhistidine","UNCO-05151":"1.565553183","UNCO-05152":"1.967081579","UNCO-05153":"1","UNCO-05154":"1.61616721","UNCO-05155":"1.385137316","UNCO-05156":"1.528080495","UNCO-05157":"1.893858684","UNCO-05158":"1.56396216","UNCO-05159":"1.059092789","UNCO-05160":"1.594792117","UNCO-05161":"1.610397075","UNCO-05162":"1.751543965","UNCO-05163":"2.427571307","UNCO-05164":"1.803592228","UNCO-05165":"1.583390728","UNCO-05166":"0.40682118","UNCO-05167":"0.409573044","UNCO-05168":"0.534421443","UNCO-05169":"0.567522419","UNCO-05170":"0.521373128","UNCO-05171":"0.599795783","UNCO-05173":"0.629310296","UNCO-05174":"0.79475709","UNCO-05175":"0.761932567","UNCO-05176":"0.626190265","UNCO-05177":"0.728220163","UNCO-05178":"0.956409536","UNCO-05179":"0.348598366","UNCO-05180":"0.821114013","UNCO-05181":"0.952357514","UNCO-05182":"1.670990046"},{"Metabolite":"flavin mononucleotide (FMN)","UNCO-05151":"2.713800356","UNCO-05152":"3.363101979","UNCO-05153":"2.421088821","UNCO-05154":"2.493757752","UNCO-05155":"1.252238041","UNCO-05156":"1","UNCO-05157":"1.526344173","UNCO-05158":"0.969206709","UNCO-05159":"2.061222564","UNCO-05160":"3.43372162","UNCO-05161":"1.986922289","UNCO-05162":"1.09762444","UNCO-05163":"2.111538047","UNCO-05164":"0.947379065","UNCO-05165":"0.780456237","UNCO-05166":"1.194305129","UNCO-05167":"0.739834439","UNCO-05168":"0.462533031","UNCO-05169":"1.498179906","UNCO-05170":"NA","UNCO-05171":"0.724680472","UNCO-05173":"0.61701181","UNCO-05174":"0.674567222","UNCO-05175":"1.140713477","UNCO-05176":"0.822089198","UNCO-05177":"0.918149706","UNCO-05178":"0.75978806","UNCO-05179":"NA","UNCO-05180":"0.59650542","UNCO-05181":"0.885118374","UNCO-05182":"0.502993043"},{"Metabolite":"xanthosine","UNCO-05151":"2.609519326","UNCO-05152":"0.871758795","UNCO-05153":"24.37919119","UNCO-05154":"1.06036977","UNCO-05155":"4.860282338","UNCO-05156":"4.598330722","UNCO-05157":"0.30278908","UNCO-05158":"12.93271369","UNCO-05159":"1.947158797","UNCO-05160":"0.97478327","UNCO-05161":"1.65242153","UNCO-05162":"8.560135049","UNCO-05163":"1.947492383","UNCO-05164":"2.775535185","UNCO-05165":"8.697572754","UNCO-05166":"0.518097749","UNCO-05167":"NA","UNCO-05168":"1.759204234","UNCO-05169":"0.864581302","UNCO-05170":"0.367892284","UNCO-05171":"1.02521673","UNCO-05173":"1.575271544","UNCO-05174":"0.547474897","UNCO-05175":"0.60531183","UNCO-05176":"0.540189795","UNCO-05177":"0.751495423","UNCO-05178":"0.266925824","UNCO-05179":"0.821441014","UNCO-05180":"0.271275902","UNCO-05181":"0.502863061","UNCO-05182":"0.713106055"},{"Metabolite":"glycodeoxycholate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"1.354660141","UNCO-05157":"NA","UNCO-05158":"0.954636463","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"0.083977081","UNCO-05162":"NA","UNCO-05163":"0.413541074","UNCO-05164":"1.449790292","UNCO-05165":"1.472985231","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.391244509","UNCO-05169":"NA","UNCO-05170":"0.441653565","UNCO-05171":"9.062734713","UNCO-05173":"0.306190598","UNCO-05174":"3.872569298","UNCO-05175":"0.702254292","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"5.292096049","UNCO-05179":"1.045363537","UNCO-05180":"0.272292647","UNCO-05181":"3.024249135","UNCO-05182":"NA"},{"Metabolite":"indolelactate","UNCO-05151":"0.563973365","UNCO-05152":"0.95848231","UNCO-05153":"0.7190574","UNCO-05154":"0.62628741","UNCO-05155":"0.656374687","UNCO-05156":"1.208704021","UNCO-05157":"1.238305493","UNCO-05158":"0.376997161","UNCO-05159":"1.114992107","UNCO-05160":"0.660966274","UNCO-05161":"0.826857661","UNCO-05162":"0.479677646","UNCO-05163":"0.676624255","UNCO-05164":"0.45672633","UNCO-05165":"0.436594078","UNCO-05166":"0.773991733","UNCO-05167":"1.609251506","UNCO-05168":"2.421742464","UNCO-05169":"2.068579616","UNCO-05170":"2.215913572","UNCO-05171":"1.291217918","UNCO-05173":"1","UNCO-05174":"1.136572654","UNCO-05175":"1.624162225","UNCO-05176":"1.640001635","UNCO-05177":"1.368830575","UNCO-05178":"0.988346491","UNCO-05179":"0.300149113","UNCO-05180":"1.139176043","UNCO-05181":"1.024005101","UNCO-05182":"1.106445228"},{"Metabolite":"3-indoxyl sulfate","UNCO-05151":"1.730234749","UNCO-05152":"0.530797824","UNCO-05153":"0.876452584","UNCO-05154":"1","UNCO-05155":"1.120183119","UNCO-05156":"0.825736818","UNCO-05157":"0.478482218","UNCO-05158":"0.736034245","UNCO-05159":"2.202757352","UNCO-05160":"0.546249794","UNCO-05161":"0.433228529","UNCO-05162":"0.96646439","UNCO-05163":"0.729952892","UNCO-05164":"0.877884627","UNCO-05165":"0.948145092","UNCO-05166":"1.586268775","UNCO-05167":"2.048514725","UNCO-05168":"2.435302968","UNCO-05169":"2.582326397","UNCO-05170":"3.162759121","UNCO-05171":"1.204962953","UNCO-05173":"0.911792731","UNCO-05174":"1.551203272","UNCO-05175":"1.761337732","UNCO-05176":"1.508807003","UNCO-05177":"0.590686237","UNCO-05178":"1.959045013","UNCO-05179":"0.297727418","UNCO-05180":"1.025616509","UNCO-05181":"2.44258484","UNCO-05182":"0.669572149"},{"Metabolite":"gamma-glutamylphenylalanine","UNCO-05151":"1.106713434","UNCO-05152":"1.658289121","UNCO-05153":"1.049835048","UNCO-05154":"1.323136869","UNCO-05155":"1.156974953","UNCO-05156":"0.906780505","UNCO-05157":"0.824096897","UNCO-05158":"0.744669119","UNCO-05159":"1.379440366","UNCO-05160":"1.613581112","UNCO-05161":"1.253882384","UNCO-05162":"1.165354064","UNCO-05163":"1.246982768","UNCO-05164":"0.890826376","UNCO-05165":"1.031936439","UNCO-05166":"0.661647341","UNCO-05167":"0.739169153","UNCO-05168":"0.861676085","UNCO-05169":"0.990153605","UNCO-05170":"1.096973187","UNCO-05171":"0.83270991","UNCO-05173":"0.813975268","UNCO-05174":"1","UNCO-05175":"0.878067957","UNCO-05176":"0.588392112","UNCO-05177":"0.665281734","UNCO-05178":"1.080346474","UNCO-05179":"0.229195943","UNCO-05180":"0.815275346","UNCO-05181":"1.074345828","UNCO-05182":"1.304536556"},{"Metabolite":"4-methyl-2-oxopentanoate","UNCO-05151":"0.448430191","UNCO-05152":"0.524888129","UNCO-05153":"0.618120661","UNCO-05154":"0.601285551","UNCO-05155":"0.389350971","UNCO-05156":"0.229045753","UNCO-05157":"0.474333138","UNCO-05158":"0.413117263","UNCO-05159":"0.194946775","UNCO-05160":"0.60974851","UNCO-05161":"0.399960339","UNCO-05162":"0.413384808","UNCO-05163":"1.056704761","UNCO-05164":"0.775439946","UNCO-05165":"0.362620246","UNCO-05166":"1.393708427","UNCO-05167":"2.817991648","UNCO-05168":"2.576274743","UNCO-05169":"2.419111177","UNCO-05170":"2.392433687","UNCO-05171":"1.361827981","UNCO-05173":"1.302377632","UNCO-05174":"1","UNCO-05175":"1.485950731","UNCO-05176":"2.03211708","UNCO-05177":"1.220181854","UNCO-05178":"2.237263627","UNCO-05179":"0.292794073","UNCO-05180":"1.630903433","UNCO-05181":"1.614706243","UNCO-05182":"1.065103907"},{"Metabolite":"1,5-anhydroglucitol (1,5-AG)","UNCO-05151":"0.738772136","UNCO-05152":"0.508109395","UNCO-05153":"0.675106908","UNCO-05154":"0.821724668","UNCO-05155":"1.987353851","UNCO-05156":"2.130045612","UNCO-05157":"1.889758242","UNCO-05158":"0.867957798","UNCO-05159":"0.545740161","UNCO-05160":"0.131570619","UNCO-05161":"0.275369244","UNCO-05162":"1.132018705","UNCO-05163":"1.070117905","UNCO-05164":"0.813659751","UNCO-05165":"0.851891904","UNCO-05166":"1.948413732","UNCO-05167":"1","UNCO-05168":"1.188699549","UNCO-05169":"1.079217408","UNCO-05170":"1.43974687","UNCO-05171":"1.142202657","UNCO-05173":"1.094063884","UNCO-05174":"2.356683203","UNCO-05175":"1.361185169","UNCO-05176":"0.513611917","UNCO-05177":"0.465612874","UNCO-05178":"1.084983995","UNCO-05179":"0.484050828","UNCO-05180":"0.720783551","UNCO-05181":"1.941603342","UNCO-05182":"0.839375222"},{"Metabolite":"1-oleoyl-GPS (18:1)","UNCO-05151":"0.658998945","UNCO-05152":"0.727558283","UNCO-05153":"0.907347108","UNCO-05154":"1.225845175","UNCO-05155":"0.686073556","UNCO-05156":"2.516688424","UNCO-05157":"0.972800344","UNCO-05158":"0.451010109","UNCO-05159":"1.238439646","UNCO-05160":"0.717129581","UNCO-05161":"0.888755508","UNCO-05162":"1.586308139","UNCO-05163":"1.839092878","UNCO-05164":"0.978427342","UNCO-05165":"2.162547704","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"7.723196735","UNCO-05169":"NA","UNCO-05170":"0.53394455","UNCO-05171":"NA","UNCO-05173":"1.54546364","UNCO-05174":"1","UNCO-05175":"3.102361338","UNCO-05176":"0.771869013","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"0.956059401","UNCO-05180":"1.000485172","UNCO-05181":"2.186286132","UNCO-05182":"1.898724047"},{"Metabolite":"1-stearoyl-GPI (18:0)","UNCO-05151":"0.717551622","UNCO-05152":"0.572225701","UNCO-05153":"1.113791228","UNCO-05154":"0.930218545","UNCO-05155":"0.930368603","UNCO-05156":"0.651284398","UNCO-05157":"1.980856057","UNCO-05158":"1.376396415","UNCO-05159":"0.625529362","UNCO-05160":"1.28510082","UNCO-05161":"1.041612772","UNCO-05162":"1.154046629","UNCO-05163":"0.830818995","UNCO-05164":"1.165007672","UNCO-05165":"1.024026683","UNCO-05166":"1.753576776","UNCO-05167":"1.757458317","UNCO-05168":"0.88918079","UNCO-05169":"0.862273029","UNCO-05170":"1.534907802","UNCO-05171":"0.666646186","UNCO-05173":"1.110464997","UNCO-05174":"0.894708923","UNCO-05175":"1.749178846","UNCO-05176":"2.072351524","UNCO-05177":"0.912574931","UNCO-05178":"1.030196538","UNCO-05179":"0.110610525","UNCO-05180":"1","UNCO-05181":"0.869545549","UNCO-05182":"0.247191014"},{"Metabolite":"docosahexaenoate (DHA; 22:6n3)","UNCO-05151":"1.181597964","UNCO-05152":"0.996631496","UNCO-05153":"1.229228835","UNCO-05154":"1.379895431","UNCO-05155":"0.539569683","UNCO-05156":"0.433604866","UNCO-05157":"0.21734562","UNCO-05158":"0.695898527","UNCO-05159":"0.986644782","UNCO-05160":"1.527071656","UNCO-05161":"1.300208362","UNCO-05162":"0.508969959","UNCO-05163":"1.195850173","UNCO-05164":"1.059242934","UNCO-05165":"0.939901528","UNCO-05166":"1.155114442","UNCO-05167":"0.815235025","UNCO-05168":"0.824904954","UNCO-05169":"1.01788403","UNCO-05170":"1.518634682","UNCO-05171":"1.337097781","UNCO-05173":"1","UNCO-05174":"0.821204637","UNCO-05175":"0.634454398","UNCO-05176":"1.330159561","UNCO-05177":"1.321134704","UNCO-05178":"1.202106226","UNCO-05179":"0.301567816","UNCO-05180":"0.609149057","UNCO-05181":"0.895067812","UNCO-05182":"1.053886151"},{"Metabolite":"alpha-hydroxyisocaproate","UNCO-05151":"0.913546005","UNCO-05152":"1.479450675","UNCO-05153":"1.103317791","UNCO-05154":"1.21981459","UNCO-05155":"1.024628965","UNCO-05156":"1.069830221","UNCO-05157":"5.155198189","UNCO-05158":"0.549909103","UNCO-05159":"2.297772977","UNCO-05160":"0.975371035","UNCO-05161":"0.768323562","UNCO-05162":"0.875619502","UNCO-05163":"1.804953648","UNCO-05164":"0.962720965","UNCO-05165":"0.5223006","UNCO-05166":"0.858272698","UNCO-05167":"1.702224059","UNCO-05168":"1.595316304","UNCO-05169":"1.864239181","UNCO-05170":"1.886570154","UNCO-05171":"0.694601126","UNCO-05173":"0.628357906","UNCO-05174":"0.494766178","UNCO-05175":"0.959120629","UNCO-05176":"1.253032505","UNCO-05177":"1.474490212","UNCO-05178":"0.887030938","UNCO-05179":"NA","UNCO-05180":"0.743183438","UNCO-05181":"0.543176622","UNCO-05182":"3.017606088"},{"Metabolite":"isovalerate (i5:0)","UNCO-05151":"0.514323714","UNCO-05152":"3.032213508","UNCO-05153":"0.62945692","UNCO-05154":"1.163352534","UNCO-05155":"0.414096923","UNCO-05156":"0.299615907","UNCO-05157":"0.478786368","UNCO-05158":"0.526749479","UNCO-05159":"0.827042421","UNCO-05160":"1.033493042","UNCO-05161":"0.795131715","UNCO-05162":"0.692907205","UNCO-05163":"1.272033721","UNCO-05164":"0.763390268","UNCO-05165":"0.706584553","UNCO-05166":"0.91426657","UNCO-05167":"1.346509893","UNCO-05168":"0.7815685","UNCO-05169":"1.47220857","UNCO-05170":"1.574703273","UNCO-05171":"1.066883597","UNCO-05173":"1.119758317","UNCO-05174":"1.230748566","UNCO-05175":"1.199556822","UNCO-05176":"1","UNCO-05177":"1.035428648","UNCO-05178":"1.337694463","UNCO-05179":"0.217511446","UNCO-05180":"1.882092659","UNCO-05181":"1.063815201","UNCO-05182":"0.778969059"},{"Metabolite":"4-acetylphenol sulfate","UNCO-05151":"0.898004347","UNCO-05152":"0.486994746","UNCO-05153":"0.141298914","UNCO-05154":"0.139106955","UNCO-05155":"1.623542586","UNCO-05156":"0.763430552","UNCO-05157":"1.564243426","UNCO-05158":"1.477748967","UNCO-05159":"1","UNCO-05160":"0.208509816","UNCO-05161":"0.101222882","UNCO-05162":"1.586928456","UNCO-05163":"0.657724868","UNCO-05164":"1.884793998","UNCO-05165":"1.386040136","UNCO-05166":"0.631165913","UNCO-05167":"1.988988018","UNCO-05168":"1.255274343","UNCO-05169":"0.47112548","UNCO-05170":"0.809111002","UNCO-05171":"0.511377308","UNCO-05173":"1.040483476","UNCO-05174":"0.874426602","UNCO-05175":"1.056274","UNCO-05176":"1.203088519","UNCO-05177":"1.265085051","UNCO-05178":"1.092318623","UNCO-05179":"0.560518745","UNCO-05180":"1.897384483","UNCO-05181":"2.68752598","UNCO-05182":"0.520667952"},{"Metabolite":"3-hydroxyoctanoate","UNCO-05151":"0.527270476","UNCO-05152":"1.869118226","UNCO-05153":"1.368807071","UNCO-05154":"2.478358882","UNCO-05155":"0.505911937","UNCO-05156":"1","UNCO-05157":"0.378624316","UNCO-05158":"0.677640686","UNCO-05159":"1.874245926","UNCO-05160":"1.897988925","UNCO-05161":"0.827972796","UNCO-05162":"0.646674456","UNCO-05163":"1.316250524","UNCO-05164":"3.585288104","UNCO-05165":"1.538052934","UNCO-05166":"0.701107456","UNCO-05167":"1.061748308","UNCO-05168":"0.630107063","UNCO-05169":"0.68094591","UNCO-05170":"0.929199634","UNCO-05171":"0.94251578","UNCO-05173":"0.764544889","UNCO-05174":"1.45306646","UNCO-05175":"0.768666099","UNCO-05176":"0.834472117","UNCO-05177":"1.153570657","UNCO-05178":"1.41567711","UNCO-05179":"0.305302963","UNCO-05180":"1.448202289","UNCO-05181":"1.505540456","UNCO-05182":"2.076051893"},{"Metabolite":"phenyllactate (PLA)","UNCO-05151":"0.721039279","UNCO-05152":"1","UNCO-05153":"0.600517671","UNCO-05154":"0.840996796","UNCO-05155":"0.757123487","UNCO-05156":"0.944262208","UNCO-05157":"6.462685515","UNCO-05158":"0.400124276","UNCO-05159":"3.567765127","UNCO-05160":"0.563371385","UNCO-05161":"0.754135567","UNCO-05162":"0.84812873","UNCO-05163":"1.17139852","UNCO-05164":"0.642762813","UNCO-05165":"0.590068763","UNCO-05166":"0.467099822","UNCO-05167":"2.867617787","UNCO-05168":"2.012078015","UNCO-05169":"2.73959406","UNCO-05170":"5.974169324","UNCO-05171":"0.870768765","UNCO-05173":"1.159128068","UNCO-05174":"1.586305217","UNCO-05175":"0.705639884","UNCO-05176":"1.323165492","UNCO-05177":"1.883738456","UNCO-05178":"2.099116992","UNCO-05179":"0.363467163","UNCO-05180":"1.495009115","UNCO-05181":"1.664276134","UNCO-05182":"2.088931033"},{"Metabolite":"hyodeoxycholate","UNCO-05151":"0.162852774","UNCO-05152":"0.312278671","UNCO-05153":"0.429517762","UNCO-05154":"1.018529491","UNCO-05155":"1.380626695","UNCO-05156":"1.502947721","UNCO-05157":"0.727554711","UNCO-05158":"0.14298867","UNCO-05159":"1","UNCO-05160":"0.371783297","UNCO-05161":"1.343638892","UNCO-05162":"0.159440592","UNCO-05163":"0.268721996","UNCO-05164":"0.221317827","UNCO-05165":"1.361243282","UNCO-05166":"0.780215474","UNCO-05167":"1.228227","UNCO-05168":"0.545536003","UNCO-05169":"4.079586957","UNCO-05170":"3.377706745","UNCO-05171":"0.536881722","UNCO-05173":"1.053704669","UNCO-05174":"0.633047558","UNCO-05175":"1.083119164","UNCO-05176":"0.324314566","UNCO-05177":"0.487863263","UNCO-05178":"2.459994755","UNCO-05179":"1.679606077","UNCO-05180":"1.971434464","UNCO-05181":"4.375618934","UNCO-05182":"3.180672121"},{"Metabolite":"indoleacrylate","UNCO-05151":"0.852480785","UNCO-05152":"2.337040266","UNCO-05153":"0.764701308","UNCO-05154":"1.255837686","UNCO-05155":"0.718452004","UNCO-05156":"0.922825557","UNCO-05157":"2.607979259","UNCO-05158":"0.760959462","UNCO-05159":"2.601427426","UNCO-05160":"0.757402987","UNCO-05161":"2.379453421","UNCO-05162":"0.751660854","UNCO-05163":"1.274949048","UNCO-05164":"1.007828491","UNCO-05165":"0.8908708","UNCO-05166":"0.652474728","UNCO-05167":"0.763106826","UNCO-05168":"1.765483077","UNCO-05169":"1.087617405","UNCO-05170":"1.099226111","UNCO-05171":"0.884279129","UNCO-05173":"1.091776376","UNCO-05174":"1.26995965","UNCO-05175":"0.859244231","UNCO-05176":"1.236873549","UNCO-05177":"1.271037265","UNCO-05178":"0.99948747","UNCO-05179":"0.268746351","UNCO-05180":"1.277432244","UNCO-05181":"0.890982671","UNCO-05182":"1"},{"Metabolite":"isocaproate (i6:0)","UNCO-05151":"0.61863539","UNCO-05152":"0.769632296","UNCO-05153":"1.348871664","UNCO-05154":"0.449714033","UNCO-05155":"0.633325115","UNCO-05156":"0.478141135","UNCO-05157":"0.220049809","UNCO-05158":"NA","UNCO-05159":"0.580384052","UNCO-05160":"1.344285933","UNCO-05161":"0.280190027","UNCO-05162":"0.558445048","UNCO-05163":"0.448685915","UNCO-05164":"1.434346472","UNCO-05165":"0.681123259","UNCO-05166":"3.733598639","UNCO-05167":"3.369251007","UNCO-05168":"2.514671949","UNCO-05169":"1.493608943","UNCO-05170":"2.711439907","UNCO-05171":"2.740409044","UNCO-05173":"1.722114495","UNCO-05174":"0.132645823","UNCO-05175":"1.857785222","UNCO-05176":"4.516059092","UNCO-05177":"3.171227627","UNCO-05178":"1.893269268","UNCO-05179":"0.287647959","UNCO-05180":"0.676634279","UNCO-05181":"0.48179783","UNCO-05182":"1.230367704"},{"Metabolite":"tartronate (hydroxymalonate)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"1.077185137","UNCO-05154":"0.626643644","UNCO-05155":"1.305557401","UNCO-05156":"1.576773456","UNCO-05157":"0.483545425","UNCO-05158":"1.605843739","UNCO-05159":"0.711794236","UNCO-05160":"NA","UNCO-05161":"0.783041795","UNCO-05162":"2.2850098","UNCO-05163":"0.766063217","UNCO-05164":"1.386913313","UNCO-05165":"2.048677141","UNCO-05166":"1.830853074","UNCO-05167":"NA","UNCO-05168":"0.478232199","UNCO-05169":"0.691212567","UNCO-05170":"0.441743907","UNCO-05171":"1.245772136","UNCO-05173":"1.196468958","UNCO-05174":"1.00780085","UNCO-05175":"0.545930636","UNCO-05176":"0.694825102","UNCO-05177":"0.609830346","UNCO-05178":"0.99219915","UNCO-05179":"0.571198819","UNCO-05180":"1.569352749","UNCO-05181":"1.269919792","UNCO-05182":"NA"},{"Metabolite":"oxalate (ethanedioate)","UNCO-05151":"0.801174958","UNCO-05152":"0.582404979","UNCO-05153":"1.151125677","UNCO-05154":"0.893069343","UNCO-05155":"1.895742644","UNCO-05156":"2.072377211","UNCO-05157":"0.736578342","UNCO-05158":"1.933125638","UNCO-05159":"0.956706642","UNCO-05160":"0.885631274","UNCO-05161":"1.082096736","UNCO-05162":"2.557416118","UNCO-05163":"0.999226043","UNCO-05164":"1.763988846","UNCO-05165":"1.631995001","UNCO-05166":"0.920979539","UNCO-05167":"0.509495735","UNCO-05168":"0.743254021","UNCO-05169":"0.4940049","UNCO-05170":"0.824641307","UNCO-05171":"1.196319644","UNCO-05173":"1.468603376","UNCO-05174":"1.749839223","UNCO-05175":"1.000773957","UNCO-05176":"0.667197012","UNCO-05177":"0.461693019","UNCO-05178":"1.68389834","UNCO-05179":"0.827801816","UNCO-05180":"1.604588644","UNCO-05181":"1.733178615","UNCO-05182":"NA"},{"Metabolite":"3-hydroxymyristate","UNCO-05151":"1.563750164","UNCO-05152":"2.318719625","UNCO-05153":"1.716780883","UNCO-05154":"2.980130172","UNCO-05155":"0.991931259","UNCO-05156":"1.112571641","UNCO-05157":"0.473710627","UNCO-05158":"1.446391095","UNCO-05159":"1.578844764","UNCO-05160":"1.932862387","UNCO-05161":"1.382850937","UNCO-05162":"0.913496572","UNCO-05163":"1.526529877","UNCO-05164":"3.461320131","UNCO-05165":"1.679624033","UNCO-05166":"0.820917102","UNCO-05167":"0.878210774","UNCO-05168":"0.64501339","UNCO-05169":"1.172961893","UNCO-05170":"0.891408528","UNCO-05171":"1.418888571","UNCO-05173":"0.845160969","UNCO-05174":"0.933500246","UNCO-05175":"0.547629413","UNCO-05176":"0.81749044","UNCO-05177":"1","UNCO-05178":"0.747127979","UNCO-05179":"0.48814297","UNCO-05180":"0.899922028","UNCO-05181":"0.797755503","UNCO-05182":"3.269604489"},{"Metabolite":"1-oleoylglycerol (18:1)","UNCO-05151":"1","UNCO-05152":"1.310341337","UNCO-05153":"0.839192532","UNCO-05154":"1.775526451","UNCO-05155":"0.889194088","UNCO-05156":"NA","UNCO-05157":"1.350353618","UNCO-05158":"0.197071749","UNCO-05159":"2.923393297","UNCO-05160":"4.538661085","UNCO-05161":"0.777704797","UNCO-05162":"0.44705408","UNCO-05163":"1.690574537","UNCO-05164":"1.846761698","UNCO-05165":"0.44857837","UNCO-05166":"0.489372367","UNCO-05167":"2.723479047","UNCO-05168":"0.725608571","UNCO-05169":"1.357658478","UNCO-05170":"2.23080085","UNCO-05171":"0.186282918","UNCO-05173":"1.19977525","UNCO-05174":"0.86792416","UNCO-05175":"0.386255533","UNCO-05176":"1.566914583","UNCO-05177":"0.639571218","UNCO-05178":"1.090088939","UNCO-05179":"NA","UNCO-05180":"0.656055699","UNCO-05181":"1.093439166","UNCO-05182":"0.79081291"},{"Metabolite":"3-methyl-2-oxobutyrate","UNCO-05151":"0.584589621","UNCO-05152":"0.662899567","UNCO-05153":"0.62645915","UNCO-05154":"0.633420361","UNCO-05155":"0.417686089","UNCO-05156":"0.239282985","UNCO-05157":"0.577384525","UNCO-05158":"0.536961202","UNCO-05159":"0.242874681","UNCO-05160":"0.719985065","UNCO-05161":"0.477038101","UNCO-05162":"0.401485014","UNCO-05163":"1","UNCO-05164":"0.875949446","UNCO-05165":"0.433153669","UNCO-05166":"1.608638979","UNCO-05167":"2.296838229","UNCO-05168":"2.090789472","UNCO-05169":"2.663484082","UNCO-05170":"2.52810795","UNCO-05171":"1.358420706","UNCO-05173":"1.464645939","UNCO-05174":"1.123179115","UNCO-05175":"1.615537104","UNCO-05176":"2.079541511","UNCO-05177":"1.502918437","UNCO-05178":"2.153651334","UNCO-05179":"0.616252758","UNCO-05180":"1.653999229","UNCO-05181":"1.537663429","UNCO-05182":"1.023247075"},{"Metabolite":"2-oleoylglycerol (18:1)","UNCO-05151":"1.315580166","UNCO-05152":"1","UNCO-05153":"0.846288653","UNCO-05154":"1.114811424","UNCO-05155":"0.951677367","UNCO-05156":"NA","UNCO-05157":"1.248345094","UNCO-05158":"NA","UNCO-05159":"2.049390431","UNCO-05160":"3.03882294","UNCO-05161":"0.751346069","UNCO-05162":"NA","UNCO-05163":"0.515868897","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"1.788071451","UNCO-05168":"0.842019271","UNCO-05169":"NA","UNCO-05170":"1.685248533","UNCO-05171":"NA","UNCO-05173":"0.812136312","UNCO-05174":"0.714807257","UNCO-05175":"NA","UNCO-05176":"1.711432688","UNCO-05177":"NA","UNCO-05178":"0.805909752","UNCO-05179":"NA","UNCO-05180":"0.689793242","UNCO-05181":"NA","UNCO-05182":"3.310089019"},{"Metabolite":"3-hydroxydecanoate","UNCO-05151":"0.720636725","UNCO-05152":"1.687310232","UNCO-05153":"1.415309811","UNCO-05154":"2.519230668","UNCO-05155":"0.507909596","UNCO-05156":"1","UNCO-05157":"0.403565659","UNCO-05158":"1.311435262","UNCO-05159":"1.4851159","UNCO-05160":"1.612972347","UNCO-05161":"0.932903939","UNCO-05162":"0.99610598","UNCO-05163":"1.890655932","UNCO-05164":"4.513622227","UNCO-05165":"2.189378799","UNCO-05166":"0.641599705","UNCO-05167":"0.393019181","UNCO-05168":"0.406885047","UNCO-05169":"0.528215329","UNCO-05170":"0.662500066","UNCO-05171":"0.939201726","UNCO-05173":"1.141453943","UNCO-05174":"1.95593759","UNCO-05175":"0.423318862","UNCO-05176":"0.544039782","UNCO-05177":"0.676965822","UNCO-05178":"1.00837109","UNCO-05179":"0.420566738","UNCO-05180":"2.871354224","UNCO-05181":"1.723969795","UNCO-05182":"2.427381272"},{"Metabolite":"EDTA","UNCO-05151":"1.855945885","UNCO-05152":"1.403706096","UNCO-05153":"0.781889425","UNCO-05154":"0.960116858","UNCO-05155":"0.807808117","UNCO-05156":"1.243330986","UNCO-05157":"1.025688955","UNCO-05158":"1.010151333","UNCO-05159":"0.089000311","UNCO-05160":"0.670299438","UNCO-05161":"1.092323819","UNCO-05162":"0.999828543","UNCO-05163":"0.541297282","UNCO-05164":"1.066804481","UNCO-05165":"0.856132582","UNCO-05166":"0.504328538","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"1","UNCO-05170":"NA","UNCO-05171":"1.629525496","UNCO-05173":"0.181630915","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"1.236529613","UNCO-05178":"NA","UNCO-05179":"1.295169476","UNCO-05180":"0.328815223","UNCO-05181":"NA","UNCO-05182":"5.243429243"},{"Metabolite":"indoleacetate","UNCO-05151":"0.712294969","UNCO-05152":"1.228225457","UNCO-05153":"0.368011028","UNCO-05154":"0.628107046","UNCO-05155":"0.598689377","UNCO-05156":"0.882937891","UNCO-05157":"0.350720986","UNCO-05158":"0.544824248","UNCO-05159":"2.060480004","UNCO-05160":"1.216271934","UNCO-05161":"1.347399173","UNCO-05162":"0.529929065","UNCO-05163":"0.724588713","UNCO-05164":"0.786326843","UNCO-05165":"0.65280102","UNCO-05166":"1.199969545","UNCO-05167":"2.078465928","UNCO-05168":"1","UNCO-05169":"1.720039655","UNCO-05170":"3.390367114","UNCO-05171":"1.357330538","UNCO-05173":"1.17872357","UNCO-05174":"1.111776704","UNCO-05175":"1.133781921","UNCO-05176":"0.987438977","UNCO-05177":"0.750324115","UNCO-05178":"1.111433289","UNCO-05179":"0.481072479","UNCO-05180":"1.164338984","UNCO-05181":"1.291491653","UNCO-05182":"0.667644558"},{"Metabolite":"1-linoleoylglycerol (18:2)","UNCO-05151":"0.919252736","UNCO-05152":"1.080033422","UNCO-05153":"1.052325586","UNCO-05154":"1.139857746","UNCO-05155":"0.728910325","UNCO-05156":"0.380266646","UNCO-05157":"1.105550788","UNCO-05158":"0.19486933","UNCO-05159":"3.731115963","UNCO-05160":"4.494562367","UNCO-05161":"0.910018798","UNCO-05162":"0.759089782","UNCO-05163":"0.947674414","UNCO-05164":"1.37854156","UNCO-05165":"0.470384989","UNCO-05166":"0.454204696","UNCO-05167":"1.382543924","UNCO-05168":"0.938382887","UNCO-05169":"0.385508565","UNCO-05170":"2.589078092","UNCO-05171":"0.625751374","UNCO-05173":"1.502834081","UNCO-05174":"1.273449207","UNCO-05175":"0.343280638","UNCO-05176":"1.873209996","UNCO-05177":"1.126310263","UNCO-05178":"1.574158158","UNCO-05179":"NA","UNCO-05180":"0.672133821","UNCO-05181":"1.40183974","UNCO-05182":"0.586483804"},{"Metabolite":"1-methylhistidine","UNCO-05151":"0.82127461","UNCO-05152":"1.175670745","UNCO-05153":"1.007550602","UNCO-05154":"1.623421202","UNCO-05155":"1.04779268","UNCO-05156":"1.23259869","UNCO-05157":"1.408803736","UNCO-05158":"0.915676687","UNCO-05159":"1.00461585","UNCO-05160":"1.152200543","UNCO-05161":"0.98693175","UNCO-05162":"1.199177435","UNCO-05163":"1.480251669","UNCO-05164":"1.129149964","UNCO-05165":"1.152846919","UNCO-05166":"0.627176956","UNCO-05167":"0.613491","UNCO-05168":"0.72668227","UNCO-05169":"0.795922623","UNCO-05170":"0.737258847","UNCO-05171":"0.967785487","UNCO-05173":"0.830899869","UNCO-05174":"0.825559454","UNCO-05175":"1","UNCO-05176":"0.896757177","UNCO-05177":"0.846081871","UNCO-05178":"1.018940361","UNCO-05179":"0.294569926","UNCO-05180":"0.796211928","UNCO-05181":"1.060772314","UNCO-05182":"1.279979566"},{"Metabolite":"3-dehydrocholate","UNCO-05151":"1.143554509","UNCO-05152":"NA","UNCO-05153":"0.151343961","UNCO-05154":"0.669360627","UNCO-05155":"4.352743129","UNCO-05156":"0.337075376","UNCO-05157":"0.446185498","UNCO-05158":"NA","UNCO-05159":"0.216691683","UNCO-05160":"NA","UNCO-05161":"1.396703069","UNCO-05162":"2.268040819","UNCO-05163":"0.593820196","UNCO-05164":"NA","UNCO-05165":"1.135490744","UNCO-05166":"0.357672998","UNCO-05167":"2.34249435","UNCO-05168":"2.323944585","UNCO-05169":"5.489802978","UNCO-05170":"5.362908235","UNCO-05171":"1.69197074","UNCO-05173":"0.163908873","UNCO-05174":"0.373555544","UNCO-05175":"0.864509256","UNCO-05176":"0.201552715","UNCO-05177":"NA","UNCO-05178":"2.173904905","UNCO-05179":"0.476674775","UNCO-05180":"0.445172783","UNCO-05181":"1.451164536","UNCO-05182":"1.823058675"},{"Metabolite":"7-ketodeoxycholate","UNCO-05151":"5.44074313","UNCO-05152":"0.697536183","UNCO-05153":"0.2050088","UNCO-05154":"0.900822204","UNCO-05155":"1.321480873","UNCO-05156":"0.16605709","UNCO-05157":"0.19995379","UNCO-05158":"0.269657809","UNCO-05159":"1.33921034","UNCO-05160":"0.422383387","UNCO-05161":"0.81521499","UNCO-05162":"0.792147847","UNCO-05163":"3.076945069","UNCO-05164":"0.180412411","UNCO-05165":"0.545175678","UNCO-05166":"0.441618555","UNCO-05167":"5.895840546","UNCO-05168":"14.38270295","UNCO-05169":"13.59395629","UNCO-05170":"11.31194589","UNCO-05171":"5.346213096","UNCO-05173":"0.508124238","UNCO-05174":"1.458494977","UNCO-05175":"1","UNCO-05176":"0.531983235","UNCO-05177":"0.392356438","UNCO-05178":"17.08556931","UNCO-05179":"1.213825797","UNCO-05180":"4.706980221","UNCO-05181":"3.803217638","UNCO-05182":"1.772534928"},{"Metabolite":"beta-muricholate","UNCO-05151":"1.858690613","UNCO-05152":"0.771557061","UNCO-05153":"0.237755974","UNCO-05154":"1.053389771","UNCO-05155":"2.16424987","UNCO-05156":"0.237908945","UNCO-05157":"0.383192689","UNCO-05158":"0.404280382","UNCO-05159":"0.948934867","UNCO-05160":"0.375269464","UNCO-05161":"1","UNCO-05162":"1.35236874","UNCO-05163":"1.782309099","UNCO-05164":"0.576570825","UNCO-05165":"0.418814187","UNCO-05166":"0.466374007","UNCO-05167":"1.518896022","UNCO-05168":"3.470679618","UNCO-05169":"3.923096571","UNCO-05170":"5.763147193","UNCO-05171":"2.772230615","UNCO-05173":"0.422371039","UNCO-05174":"0.705439574","UNCO-05175":"0.947696063","UNCO-05176":"0.221369765","UNCO-05177":"0.189584133","UNCO-05178":"5.259238067","UNCO-05179":"1.742319616","UNCO-05180":"2.845747308","UNCO-05181":"2.017680481","UNCO-05182":"1.739288571"},{"Metabolite":"6-oxolithocholate","UNCO-05151":"NA","UNCO-05152":"0.468936729","UNCO-05153":"0.592196519","UNCO-05154":"1.72483189","UNCO-05155":"0.884714781","UNCO-05156":"0.957031652","UNCO-05157":"1.268357855","UNCO-05158":"0.081242151","UNCO-05159":"0.504030383","UNCO-05160":"1.042968348","UNCO-05161":"1.407492564","UNCO-05162":"0.096378598","UNCO-05163":"0.116949089","UNCO-05164":"0.201572681","UNCO-05165":"0.820289194","UNCO-05166":"1.302884059","UNCO-05167":"0.866080598","UNCO-05168":"0.885140625","UNCO-05169":"12.81036617","UNCO-05170":"8.29426542","UNCO-05171":"0.5122018","UNCO-05173":"1.933650419","UNCO-05174":"0.72348783","UNCO-05175":"1.666205991","UNCO-05176":"0.339620034","UNCO-05177":"1.722345576","UNCO-05178":"2.141269402","UNCO-05179":"1.716349897","UNCO-05180":"3.091170816","UNCO-05181":"4.944061707","UNCO-05182":"3.800723456"},{"Metabolite":"androsterone sulfate","UNCO-05151":"0.298539926","UNCO-05152":"0.710994702","UNCO-05153":"3.09479714","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.746683608","UNCO-05160":"0.490664571","UNCO-05161":"0.753774012","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"1.33315208","UNCO-05167":"1","UNCO-05168":"1.144370747","UNCO-05169":"2.108940262","UNCO-05170":"0.942722241","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.758597855","UNCO-05176":"0.435109613","UNCO-05177":"1.437699199","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.00963692"},{"Metabolite":"dodecanedioate (C12-DC)","UNCO-05151":"1","UNCO-05152":"3.401098375","UNCO-05153":"1.166737304","UNCO-05154":"3.845102213","UNCO-05155":"0.676107752","UNCO-05156":"1.251059159","UNCO-05157":"0.739634535","UNCO-05158":"0.817238507","UNCO-05159":"2.669404484","UNCO-05160":"1.128112319","UNCO-05161":"1.096765446","UNCO-05162":"0.722796796","UNCO-05163":"1.609185491","UNCO-05164":"2.302772406","UNCO-05165":"1.065149013","UNCO-05166":"0.83264076","UNCO-05167":"0.802510153","UNCO-05168":"0.852563822","UNCO-05169":"1.092939646","UNCO-05170":"1.353162212","UNCO-05171":"1.352829322","UNCO-05173":"0.390846986","UNCO-05174":"0.773498382","UNCO-05175":"0.870068965","UNCO-05176":"0.684134462","UNCO-05177":"1.331141131","UNCO-05178":"0.708726103","UNCO-05179":"0.267385384","UNCO-05180":"0.890825064","UNCO-05181":"0.578590462","UNCO-05182":"3.59308011"},{"Metabolite":"N-acetyltyrosine","UNCO-05151":"0.740751528","UNCO-05152":"0.218262645","UNCO-05153":"1","UNCO-05154":"0.174954104","UNCO-05155":"0.878137946","UNCO-05156":"0.452378572","UNCO-05157":"0.284622997","UNCO-05158":"0.53837694","UNCO-05159":"0.425249333","UNCO-05160":"2.035036319","UNCO-05161":"0.54416851","UNCO-05162":"0.664849647","UNCO-05163":"0.591857316","UNCO-05164":"0.572904667","UNCO-05165":"2.625102696","UNCO-05166":"0.941255483","UNCO-05167":"4.087537184","UNCO-05168":"2.788101272","UNCO-05169":"5.535578961","UNCO-05170":"1.792256945","UNCO-05171":"1.728875694","UNCO-05173":"1.118301912","UNCO-05174":"0.884425067","UNCO-05175":"1.114343301","UNCO-05176":"1.557218018","UNCO-05177":"1.859405542","UNCO-05178":"1.33199013","UNCO-05179":"0.260527921","UNCO-05180":"1.510963702","UNCO-05181":"4.864140806","UNCO-05182":"12.43343896"},{"Metabolite":"3-hydroxylaurate","UNCO-05151":"0.901701382","UNCO-05152":"2.296063007","UNCO-05153":"1.764946716","UNCO-05154":"2.924047912","UNCO-05155":"0.428767882","UNCO-05156":"0.987087318","UNCO-05157":"0.316288466","UNCO-05158":"1","UNCO-05159":"1.392780178","UNCO-05160":"1.657634636","UNCO-05161":"1.182599212","UNCO-05162":"0.629833552","UNCO-05163":"2.02858615","UNCO-05164":"5.042151603","UNCO-05165":"2.011501826","UNCO-05166":"0.601417122","UNCO-05167":"0.395634963","UNCO-05168":"0.37344684","UNCO-05169":"0.665348649","UNCO-05170":"0.896285123","UNCO-05171":"1.629555907","UNCO-05173":"1.134859889","UNCO-05174":"1.630968503","UNCO-05175":"0.392239684","UNCO-05176":"0.686024955","UNCO-05177":"0.963019214","UNCO-05178":"0.748195741","UNCO-05179":"0.330799131","UNCO-05180":"1.661987314","UNCO-05181":"1.165074486","UNCO-05182":"3.208731814"},{"Metabolite":"pyridoxate","UNCO-05151":"1.071984819","UNCO-05152":"1.455186784","UNCO-05153":"0.846144601","UNCO-05154":"1.692684745","UNCO-05155":"1.235920666","UNCO-05156":"1.6586836","UNCO-05157":"0.673000096","UNCO-05158":"1","UNCO-05159":"2.039090124","UNCO-05160":"1.208017307","UNCO-05161":"0.973142404","UNCO-05162":"0.124625148","UNCO-05163":"1.73679925","UNCO-05164":"1.703232492","UNCO-05165":"1.539366678","UNCO-05166":"0.563259369","UNCO-05167":"0.84480432","UNCO-05168":"0.914096943","UNCO-05169":"0.997289276","UNCO-05170":"1.629624207","UNCO-05171":"1.104477775","UNCO-05173":"0.817612234","UNCO-05174":"1.058674379","UNCO-05175":"0.787681085","UNCO-05176":"0.688768868","UNCO-05177":"0.899344204","UNCO-05178":"0.116892297","UNCO-05179":"0.322583452","UNCO-05180":"0.857235149","UNCO-05181":"1.710430098","UNCO-05182":"2.330106467"},{"Metabolite":"3-hydroxysebacate","UNCO-05151":"0.790690891","UNCO-05152":"5.016556191","UNCO-05153":"1.779830448","UNCO-05154":"4.890270177","UNCO-05155":"0.539090166","UNCO-05156":"1.961799966","UNCO-05157":"0.259178547","UNCO-05158":"0.568160494","UNCO-05159":"2.124544271","UNCO-05160":"1.96845326","UNCO-05161":"0.798568634","UNCO-05162":"0.472980967","UNCO-05163":"1.478712486","UNCO-05164":"7.07721178","UNCO-05165":"1.23200405","UNCO-05166":"0.543998965","UNCO-05167":"0.635218984","UNCO-05168":"0.721863142","UNCO-05169":"1.224984798","UNCO-05170":"0.996588054","UNCO-05171":"1.113868183","UNCO-05173":"0.63847409","UNCO-05174":"1.402623346","UNCO-05175":"0.51379224","UNCO-05176":"0.346650928","UNCO-05177":"0.914428953","UNCO-05178":"1","UNCO-05179":"0.278998099","UNCO-05180":"1.598364467","UNCO-05181":"1.308340831","UNCO-05182":"3.553877098"},{"Metabolite":"5-hydroxyhexanoate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"0.851703005","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"1.061137295","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"1.526963697","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.9528152","UNCO-05176":"NA","UNCO-05177":"2.20707772","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"1","UNCO-05181":"NA","UNCO-05182":"0.907239275"},{"Metabolite":"propionylglycine","UNCO-05151":"0.657612669","UNCO-05152":"NA","UNCO-05153":"0.908644157","UNCO-05154":"NA","UNCO-05155":"1.596731025","UNCO-05156":"1.81438934","UNCO-05157":"0.795504682","UNCO-05158":"0.639398717","UNCO-05159":"1.003432996","UNCO-05160":"0.960520544","UNCO-05161":"0.973902872","UNCO-05162":"1.258234423","UNCO-05163":"0.807431165","UNCO-05164":"0.996567004","UNCO-05165":"0.84094738","UNCO-05166":"1.973912408","UNCO-05167":"1.748396346","UNCO-05168":"2.06568466","UNCO-05169":"1.817669758","UNCO-05170":"1.74858071","UNCO-05171":"1.454090034","UNCO-05173":"0.958457568","UNCO-05174":"1.368713326","UNCO-05175":"1.780285066","UNCO-05176":"0.801007012","UNCO-05177":"NA","UNCO-05178":"1.442233482","UNCO-05179":"0.47865185","UNCO-05180":"0.616947558","UNCO-05181":"1.095497689","UNCO-05182":"0.788088775"},{"Metabolite":"butyrylglycine","UNCO-05151":"1.546420445","UNCO-05152":"2.033001412","UNCO-05153":"2.248588298","UNCO-05154":"1.503991103","UNCO-05155":"1.632506823","UNCO-05156":"4.812632519","UNCO-05157":"0.431946385","UNCO-05158":"1.034864171","UNCO-05159":"2.184454086","UNCO-05160":"1.802849011","UNCO-05161":"1.19105788","UNCO-05162":"0.956236145","UNCO-05163":"1.678247573","UNCO-05164":"4.403510415","UNCO-05165":"3.190828145","UNCO-05166":"0.496639572","UNCO-05167":"0.966768853","UNCO-05168":"0.71704651","UNCO-05169":"1","UNCO-05170":"1.11428237","UNCO-05171":"0.894604145","UNCO-05173":"0.26152079","UNCO-05174":"0.294838271","UNCO-05175":"0.530542366","UNCO-05176":"0.865208262","UNCO-05177":"0.724510715","UNCO-05178":"0.583927304","UNCO-05179":"0.192755288","UNCO-05180":"0.44564271","UNCO-05181":"0.953255438","UNCO-05182":"2.176859649"},{"Metabolite":"3-hydroxy-2-ethylpropionate","UNCO-05151":"0.564100368","UNCO-05152":"1.033431288","UNCO-05153":"1.550811312","UNCO-05154":"1.248858658","UNCO-05155":"0.472833281","UNCO-05156":"1.024067745","UNCO-05157":"1.003207325","UNCO-05158":"0.436078996","UNCO-05159":"0.451890132","UNCO-05160":"0.662557397","UNCO-05161":"1","UNCO-05162":"0.882711928","UNCO-05163":"0.841390812","UNCO-05164":"1.54743048","UNCO-05165":"0.736333913","UNCO-05166":"1.090791223","UNCO-05167":"1.484233522","UNCO-05168":"0.976873001","UNCO-05169":"1.654338856","UNCO-05170":"1.70651114","UNCO-05171":"0.537074943","UNCO-05173":"0.773345164","UNCO-05174":"0.897331939","UNCO-05175":"1.32525316","UNCO-05176":"0.766645729","UNCO-05177":"1.440749786","UNCO-05178":"1.156442908","UNCO-05179":"0.25129069","UNCO-05180":"1.085733885","UNCO-05181":"1.139784002","UNCO-05182":"0.947079512"},{"Metabolite":"3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)","UNCO-05151":"0.82718681","UNCO-05152":"0.975445788","UNCO-05153":"1.322638974","UNCO-05154":"1.08198629","UNCO-05155":"0.680829405","UNCO-05156":"1.421869235","UNCO-05157":"0.37335975","UNCO-05158":"0.721067614","UNCO-05159":"1.622144793","UNCO-05160":"1.175933137","UNCO-05161":"1.376620892","UNCO-05162":"0.304224454","UNCO-05163":"0.907508369","UNCO-05164":"0.946653458","UNCO-05165":"0.9471818","UNCO-05166":"1.012960306","UNCO-05167":"1.103775819","UNCO-05168":"1.342426727","UNCO-05169":"1.031336112","UNCO-05170":"0.927571679","UNCO-05171":"0.797351461","UNCO-05173":"1","UNCO-05174":"0.87829701","UNCO-05175":"1.469467787","UNCO-05176":"1.179148733","UNCO-05177":"1.235783744","UNCO-05178":"0.261230671","UNCO-05179":"0.246056797","UNCO-05180":"1.140101569","UNCO-05181":"1.054029742","UNCO-05182":"0.9174922"},{"Metabolite":"docosapentaenoate (n3 DPA; 22:5n3)","UNCO-05151":"0.946029164","UNCO-05152":"0.835252363","UNCO-05153":"0.951413898","UNCO-05154":"1","UNCO-05155":"0.463389352","UNCO-05156":"0.417382416","UNCO-05157":"0.156411742","UNCO-05158":"0.823742425","UNCO-05159":"0.916626935","UNCO-05160":"1.239190307","UNCO-05161":"1.015694202","UNCO-05162":"0.598499277","UNCO-05163":"1.412257451","UNCO-05164":"1.52727775","UNCO-05165":"1.035722176","UNCO-05166":"1.210959208","UNCO-05167":"0.929221854","UNCO-05168":"0.910522772","UNCO-05169":"0.899645775","UNCO-05170":"1.636562443","UNCO-05171":"1.334090894","UNCO-05173":"1.312764085","UNCO-05174":"1.435025683","UNCO-05175":"0.585397184","UNCO-05176":"1.308477531","UNCO-05177":"1.568857741","UNCO-05178":"2.23585134","UNCO-05179":"0.436533299","UNCO-05180":"1.175660181","UNCO-05181":"1.587325375","UNCO-05182":"0.965631048"},{"Metabolite":"docosadienoate (22:2n6)","UNCO-05151":"1.27815987","UNCO-05152":"1.254368686","UNCO-05153":"1.156074565","UNCO-05154":"1.393166032","UNCO-05155":"0.998601833","UNCO-05156":"0.891166822","UNCO-05157":"0.804390366","UNCO-05158":"0.575276272","UNCO-05159":"1.053905297","UNCO-05160":"1.585277184","UNCO-05161":"0.878948091","UNCO-05162":"0.656574322","UNCO-05163":"1.797715643","UNCO-05164":"1.087155644","UNCO-05165":"1.17498424","UNCO-05166":"0.702583347","UNCO-05167":"0.552168492","UNCO-05168":"0.72692457","UNCO-05169":"0.81932361","UNCO-05170":"1.119998688","UNCO-05171":"1.002791648","UNCO-05173":"1.124541379","UNCO-05174":"1.035360032","UNCO-05175":"1","UNCO-05176":"0.947799248","UNCO-05177":"0.77417641","UNCO-05178":"0.98210606","UNCO-05179":"0.327342975","UNCO-05180":"0.774759971","UNCO-05181":"1.430046782","UNCO-05182":"1.400146052"},{"Metabolite":"adrenate (22:4n6)","UNCO-05151":"1.154465828","UNCO-05152":"1.553415508","UNCO-05153":"1.111717763","UNCO-05154":"1.616729661","UNCO-05155":"0.271073125","UNCO-05156":"0.414365347","UNCO-05157":"0.181342923","UNCO-05158":"0.589264597","UNCO-05159":"0.943837781","UNCO-05160":"1.890273334","UNCO-05161":"0.972594475","UNCO-05162":"0.293553183","UNCO-05163":"1.351126351","UNCO-05164":"0.865986203","UNCO-05165":"1.062094184","UNCO-05166":"0.957773649","UNCO-05167":"0.7591709","UNCO-05168":"1.038121437","UNCO-05169":"1.093743993","UNCO-05170":"1.316684234","UNCO-05171":"0.953396195","UNCO-05173":"1.033923358","UNCO-05174":"1.016904957","UNCO-05175":"0.782501257","UNCO-05176":"1.146612192","UNCO-05177":"1","UNCO-05178":"0.947400485","UNCO-05179":"0.149418436","UNCO-05180":"0.831468989","UNCO-05181":"1.15781129","UNCO-05182":"1.282872735"},{"Metabolite":"docosatrienoate (22:3n3)","UNCO-05151":"0.891818138","UNCO-05152":"0.732768156","UNCO-05153":"0.960682722","UNCO-05154":"1.221198169","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.275288028","UNCO-05158":"NA","UNCO-05159":"0.912607816","UNCO-05160":"1.577222634","UNCO-05161":"1.115422963","UNCO-05162":"0.406567593","UNCO-05163":"1.634921709","UNCO-05164":"NA","UNCO-05165":"0.976146944","UNCO-05166":"0.711343197","UNCO-05167":"0.931584769","UNCO-05168":"0.780316826","UNCO-05169":"NA","UNCO-05170":"1.515762719","UNCO-05171":"1.174705646","UNCO-05173":"1.234226025","UNCO-05174":"1.068070329","UNCO-05175":"NA","UNCO-05176":"1.043910047","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.384754849","UNCO-05181":"1.957058189","UNCO-05182":"1.023853056"},{"Metabolite":"10-undecenoate (11:1n1)","UNCO-05151":"1.145605732","UNCO-05152":"1.505310778","UNCO-05153":"1.136844093","UNCO-05154":"1.412921557","UNCO-05155":"0.599419706","UNCO-05156":"1.169999256","UNCO-05157":"NA","UNCO-05158":"0.77694161","UNCO-05159":"1.53499505","UNCO-05160":"1.453444852","UNCO-05161":"1.275396448","UNCO-05162":"0.550727084","UNCO-05163":"1.467474347","UNCO-05164":"1.388879987","UNCO-05165":"0.946649002","UNCO-05166":"0.57853141","UNCO-05167":"0.295134458","UNCO-05168":"1.156916887","UNCO-05169":"1.028811542","UNCO-05170":"0.928828138","UNCO-05171":"0.753243409","UNCO-05173":"0.462217936","UNCO-05174":"NA","UNCO-05175":"0.324973246","UNCO-05176":"0.698930977","UNCO-05177":"1","UNCO-05178":"0.905221502","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"0.727313307","UNCO-05182":"1.590151598"},{"Metabolite":"myristoleate (14:1n5)","UNCO-05151":"1.616159638","UNCO-05152":"2.801554735","UNCO-05153":"2.495475718","UNCO-05154":"4.805332905","UNCO-05155":"0.442617223","UNCO-05156":"0.716010942","UNCO-05157":"0.188951029","UNCO-05158":"1.240442279","UNCO-05159":"1.932156352","UNCO-05160":"1.41834787","UNCO-05161":"0.909711601","UNCO-05162":"0.413882886","UNCO-05163":"2.234931981","UNCO-05164":"4.960994729","UNCO-05165":"1.208536071","UNCO-05166":"1.643815603","UNCO-05167":"0.396266644","UNCO-05168":"0.260298808","UNCO-05169":"0.578477429","UNCO-05170":"1.088702663","UNCO-05171":"2.412124081","UNCO-05173":"0.747581499","UNCO-05174":"1","UNCO-05175":"0.268385004","UNCO-05176":"0.687618676","UNCO-05177":"1.659824854","UNCO-05178":"0.630511733","UNCO-05179":"0.392777667","UNCO-05180":"0.680415651","UNCO-05181":"0.541335483","UNCO-05182":"4.191283115"},{"Metabolite":"sebacate (C10-DC)","UNCO-05151":"1.219648134","UNCO-05152":"4.908801111","UNCO-05153":"1.245969213","UNCO-05154":"4.580420348","UNCO-05155":"0.795909291","UNCO-05156":"1.458728162","UNCO-05157":"0.78475484","UNCO-05158":"0.452983453","UNCO-05159":"2.844658369","UNCO-05160":"1.653884518","UNCO-05161":"0.901431804","UNCO-05162":"0.324577009","UNCO-05163":"1.554566365","UNCO-05164":"3.557389405","UNCO-05165":"1.066857847","UNCO-05166":"0.925594197","UNCO-05167":"0.93846443","UNCO-05168":"0.898815328","UNCO-05169":"1.490687876","UNCO-05170":"1.669406585","UNCO-05171":"1.229313836","UNCO-05173":"0.741337343","UNCO-05174":"0.845300392","UNCO-05175":"0.817726904","UNCO-05176":"0.840073023","UNCO-05177":"1.615519462","UNCO-05178":"0.557270305","UNCO-05179":"0.435728854","UNCO-05180":"1","UNCO-05181":"0.691240947","UNCO-05182":"3.86768373"},{"Metabolite":"daidzein","UNCO-05151":"1.555370433","UNCO-05152":"2.345288347","UNCO-05153":"0.034403925","UNCO-05154":"0.756901667","UNCO-05155":"0.503608727","UNCO-05156":"0.134802666","UNCO-05157":"2.454846525","UNCO-05158":"NA","UNCO-05159":"1.067613668","UNCO-05160":"0.600716764","UNCO-05161":"0.299671887","UNCO-05162":"0.871242958","UNCO-05163":"0.262688658","UNCO-05164":"0.045231384","UNCO-05165":"0.104193302","UNCO-05166":"2.811980898","UNCO-05167":"5.012579138","UNCO-05168":"7.86629828","UNCO-05169":"5.593610426","UNCO-05170":"6.043830935","UNCO-05171":"2.917131461","UNCO-05173":"0.722332345","UNCO-05174":"0.932386332","UNCO-05175":"1.934350665","UNCO-05176":"1.504992573","UNCO-05177":"0.695786391","UNCO-05178":"2.3399554","UNCO-05179":"0.673273833","UNCO-05180":"0.849720229","UNCO-05181":"2.30224289","UNCO-05182":"7.609933036"},{"Metabolite":"genistein","UNCO-05151":"1.918554838","UNCO-05152":"2.248486917","UNCO-05153":"NA","UNCO-05154":"0.474727976","UNCO-05155":"0.169612478","UNCO-05156":"0.045653786","UNCO-05157":"1.537455813","UNCO-05158":"NA","UNCO-05159":"0.586280218","UNCO-05160":"0.334320893","UNCO-05161":"0.23749188","UNCO-05162":"0.352998655","UNCO-05163":"0.201301187","UNCO-05164":"NA","UNCO-05165":"0.047508681","UNCO-05166":"2.642946523","UNCO-05167":"4.887099831","UNCO-05168":"10.93229817","UNCO-05169":"7.062989141","UNCO-05170":"6.108227968","UNCO-05171":"5.322545623","UNCO-05173":"0.49438103","UNCO-05174":"0.718221583","UNCO-05175":"1.506536297","UNCO-05176":"0.676967652","UNCO-05177":"0.435582884","UNCO-05178":"3.082960545","UNCO-05179":"1.116564874","UNCO-05180":"0.883435126","UNCO-05181":"2.910458074","UNCO-05182":"6.090949658"},{"Metabolite":"stearidonate (18:4n3)","UNCO-05151":"0.735589358","UNCO-05152":"0.843938784","UNCO-05153":"0.932854244","UNCO-05154":"1.341632118","UNCO-05155":"0.432108362","UNCO-05156":"0.532900902","UNCO-05157":"0.299861878","UNCO-05158":"0.81341876","UNCO-05159":"1.001363002","UNCO-05160":"0.876083479","UNCO-05161":"0.762751215","UNCO-05162":"0.464695666","UNCO-05163":"1.158374425","UNCO-05164":"2.962315286","UNCO-05165":"1.228982431","UNCO-05166":"1.53974164","UNCO-05167":"0.641345134","UNCO-05168":"0.756303061","UNCO-05169":"0.574240735","UNCO-05170":"1.475835008","UNCO-05171":"2.607090976","UNCO-05173":"1.145441289","UNCO-05174":"1.276725196","UNCO-05175":"0.295389952","UNCO-05176":"1.596565965","UNCO-05177":"2.472036383","UNCO-05178":"1","UNCO-05179":"0.385815177","UNCO-05180":"1.022952482","UNCO-05181":"1.128185253","UNCO-05182":"1.520691865"},{"Metabolite":"5-dodecenoate (12:1n7)","UNCO-05151":"0.989304501","UNCO-05152":"4.252684965","UNCO-05153":"1.893764176","UNCO-05154":"5.479205638","UNCO-05155":"0.395782712","UNCO-05156":"1.086036391","UNCO-05157":"0.400894046","UNCO-05158":"1.232822932","UNCO-05159":"2.651041472","UNCO-05160":"2.407982435","UNCO-05161":"1.208758327","UNCO-05162":"0.76060395","UNCO-05163":"1.956327799","UNCO-05164":"4.997682774","UNCO-05165":"1.494655237","UNCO-05166":"1.59098745","UNCO-05167":"0.185927088","UNCO-05168":"0.406331691","UNCO-05169":"NA","UNCO-05170":"0.524827808","UNCO-05171":"1.688420586","UNCO-05173":"0.610217764","UNCO-05174":"0.852752146","UNCO-05175":"0.182300996","UNCO-05176":"0.502891681","UNCO-05177":"0.887214732","UNCO-05178":"0.63941887","UNCO-05179":"0.447783279","UNCO-05180":"0.614030684","UNCO-05181":"1.010695499","UNCO-05182":"4.869713434"},{"Metabolite":"tauro-beta-muricholate","UNCO-05151":"1.681672886","UNCO-05152":"1.090865481","UNCO-05153":"0.571695676","UNCO-05154":"1.593040018","UNCO-05155":"1.604559016","UNCO-05156":"NA","UNCO-05157":"1.811635868","UNCO-05158":"NA","UNCO-05159":"6.620562555","UNCO-05160":"1.733312571","UNCO-05161":"1.218639151","UNCO-05162":"NA","UNCO-05163":"1.053142577","UNCO-05164":"NA","UNCO-05165":"0.144391599","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"0.946857423","UNCO-05173":"0.645499873","UNCO-05174":"0.199669578","UNCO-05175":"NA","UNCO-05176":"0.127198246","UNCO-05177":"NA","UNCO-05178":"0.272748687","UNCO-05179":"0.279468158","UNCO-05180":"0.67270496","UNCO-05181":"0.136514631","UNCO-05182":"1.342555446"},{"Metabolite":"N-acetyltryptophan","UNCO-05151":"0.814126813","UNCO-05152":"0.506848957","UNCO-05153":"0.65637391","UNCO-05154":"0.461680036","UNCO-05155":"1","UNCO-05156":"0.724594173","UNCO-05157":"0.207092186","UNCO-05158":"0.333067789","UNCO-05159":"0.725406142","UNCO-05160":"1.765547623","UNCO-05161":"0.679797856","UNCO-05162":"0.647818465","UNCO-05163":"0.446073093","UNCO-05164":"0.457755069","UNCO-05165":"1.284760609","UNCO-05166":"1.132852076","UNCO-05167":"1.988571539","UNCO-05168":"2.24064003","UNCO-05169":"2.012089764","UNCO-05170":"1.583411297","UNCO-05171":"1.376166641","UNCO-05173":"0.86568232","UNCO-05174":"0.805329583","UNCO-05175":"1.519974883","UNCO-05176":"1.784244107","UNCO-05177":"1.185739212","UNCO-05178":"1.096015308","UNCO-05179":"0.179288571","UNCO-05180":"1.050874355","UNCO-05181":"1.55709178","UNCO-05182":"1.240886327"},{"Metabolite":"N-acetylphenylalanine","UNCO-05151":"0.971271098","UNCO-05152":"0.187412384","UNCO-05153":"0.897055961","UNCO-05154":"0.193505685","UNCO-05155":"1.248927863","UNCO-05156":"0.27214518","UNCO-05157":"0.344609134","UNCO-05158":"0.912458974","UNCO-05159":"0.78292578","UNCO-05160":"1.711498502","UNCO-05161":"0.677336482","UNCO-05162":"0.776202853","UNCO-05163":"0.489767917","UNCO-05164":"0.574656139","UNCO-05165":"1.705794521","UNCO-05166":"0.689306544","UNCO-05167":"2.690092727","UNCO-05168":"1","UNCO-05169":"2.472810267","UNCO-05170":"1.250162594","UNCO-05171":"1.179984005","UNCO-05173":"1.03051366","UNCO-05174":"1.162832827","UNCO-05175":"0.733799485","UNCO-05176":"1.097493568","UNCO-05177":"1.55260678","UNCO-05178":"2.798559292","UNCO-05179":"0.164283343","UNCO-05180":"1.844484265","UNCO-05181":"3.396082662","UNCO-05182":"3.211009212"},{"Metabolite":"S-methylglutathione","UNCO-05151":"1","UNCO-05152":"1.365474073","UNCO-05153":"1.141052128","UNCO-05154":"0.349110685","UNCO-05155":"1.761650021","UNCO-05156":"3.182507867","UNCO-05157":"1.770543166","UNCO-05158":"1.890320153","UNCO-05159":"0.794479409","UNCO-05160":"NA","UNCO-05161":"1.208845259","UNCO-05162":"2.356635655","UNCO-05163":"1.7301204","UNCO-05164":"1.403625667","UNCO-05165":"2.471863456","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.644595704","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"0.487802709","UNCO-05173":"0.763332877","UNCO-05174":"0.610863319","UNCO-05175":"0.282268436","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"0.54992475","UNCO-05179":"NA","UNCO-05180":"0.298323984","UNCO-05181":"0.618702969","UNCO-05182":"0.600684088"},{"Metabolite":"N-acetylthreonine","UNCO-05151":"1.083311732","UNCO-05152":"1.068885375","UNCO-05153":"1.163366686","UNCO-05154":"1.134260978","UNCO-05155":"1.248082327","UNCO-05156":"1","UNCO-05157":"0.720208927","UNCO-05158":"0.708767691","UNCO-05159":"1.159112966","UNCO-05160":"0.931081445","UNCO-05161":"0.718024263","UNCO-05162":"1.146501115","UNCO-05163":"1.075894551","UNCO-05164":"0.765267251","UNCO-05165":"0.692260356","UNCO-05166":"1.449287158","UNCO-05167":"1.118612681","UNCO-05168":"0.728973508","UNCO-05169":"1.131101146","UNCO-05170":"1.363804759","UNCO-05171":"1.014675203","UNCO-05173":"0.93243714","UNCO-05174":"0.932268132","UNCO-05175":"0.723952512","UNCO-05176":"0.83679973","UNCO-05177":"0.71978848","UNCO-05178":"0.915363679","UNCO-05179":"0.331072632","UNCO-05180":"0.76775105","UNCO-05181":"1.366147545","UNCO-05182":"2.400982944"},{"Metabolite":"N-acetylisoleucine","UNCO-05151":"1.009000709","UNCO-05152":"0.906832904","UNCO-05153":"0.722821748","UNCO-05154":"0.552494704","UNCO-05155":"0.898557165","UNCO-05156":"0.579523326","UNCO-05157":"0.742479037","UNCO-05158":"0.552482662","UNCO-05159":"0.621211519","UNCO-05160":"0.54604825","UNCO-05161":"0.657967025","UNCO-05162":"0.74885203","UNCO-05163":"0.583873147","UNCO-05164":"0.403612086","UNCO-05165":"0.433574308","UNCO-05166":"2.355002956","UNCO-05167":"5.557040821","UNCO-05168":"1.665034882","UNCO-05169":"4.985661969","UNCO-05170":"2.231782114","UNCO-05171":"2.32123163","UNCO-05173":"2.316907099","UNCO-05174":"2.20124666","UNCO-05175":"2.47456282","UNCO-05176":"1","UNCO-05177":"1.477839637","UNCO-05178":"4.882551221","UNCO-05179":"0.468079034","UNCO-05180":"1.920765096","UNCO-05181":"2.809288289","UNCO-05182":"4.517616655"},{"Metabolite":"10-nonadecenoate (19:1n9)","UNCO-05151":"0.83610636","UNCO-05152":"1","UNCO-05153":"1.217097517","UNCO-05154":"1.54481976","UNCO-05155":"0.510905756","UNCO-05156":"0.766838206","UNCO-05157":"0.288384565","UNCO-05158":"0.723307873","UNCO-05159":"1.013340663","UNCO-05160":"1.432037675","UNCO-05161":"0.707730606","UNCO-05162":"0.416847956","UNCO-05163":"1.393410821","UNCO-05164":"2.07919126","UNCO-05165":"1.282574488","UNCO-05166":"1.090261657","UNCO-05167":"0.880953918","UNCO-05168":"0.695725478","UNCO-05169":"0.829972245","UNCO-05170":"1.752198721","UNCO-05171":"1.25168296","UNCO-05173":"1.266339609","UNCO-05174":"1.068218036","UNCO-05175":"0.349384133","UNCO-05176":"0.973741124","UNCO-05177":"1.343825332","UNCO-05178":"0.962950517","UNCO-05179":"0.279283856","UNCO-05180":"0.787305409","UNCO-05181":"1.189791383","UNCO-05182":"1.242004838"},{"Metabolite":"10-heptadecenoate (17:1n7)","UNCO-05151":"0.822552908","UNCO-05152":"0.839131706","UNCO-05153":"1.41878285","UNCO-05154":"1.714555572","UNCO-05155":"0.336952524","UNCO-05156":"0.799242888","UNCO-05157":"0.308859849","UNCO-05158":"0.779276682","UNCO-05159":"1.197683904","UNCO-05160":"1.260270342","UNCO-05161":"0.775758937","UNCO-05162":"0.322779695","UNCO-05163":"1.638492411","UNCO-05164":"2.730213425","UNCO-05165":"1.573565846","UNCO-05166":"1.787631749","UNCO-05167":"1","UNCO-05168":"0.764179046","UNCO-05169":"0.681344414","UNCO-05170":"1.795830061","UNCO-05171":"1.906812725","UNCO-05173":"1.2962443","UNCO-05174":"1.125862118","UNCO-05175":"0.348445501","UNCO-05176":"1.045155468","UNCO-05177":"1.784197435","UNCO-05178":"0.872232118","UNCO-05179":"0.439657067","UNCO-05180":"0.727729406","UNCO-05181":"0.994538793","UNCO-05182":"1.537483487"},{"Metabolite":"hyocholate","UNCO-05151":"1","UNCO-05152":"0.677185556","UNCO-05153":"0.336537639","UNCO-05154":"0.87313728","UNCO-05155":"NA","UNCO-05156":"0.967946251","UNCO-05157":"0.466636735","UNCO-05158":"NA","UNCO-05159":"1.129241229","UNCO-05160":"0.503920531","UNCO-05161":"0.606864537","UNCO-05162":"0.512146431","UNCO-05163":"0.792072884","UNCO-05164":"0.410354264","UNCO-05165":"0.534266564","UNCO-05166":"2.05975937","UNCO-05167":"5.442947855","UNCO-05168":"11.19459678","UNCO-05169":"60.09046084","UNCO-05170":"46.05404828","UNCO-05171":"4.028141235","UNCO-05173":"0.857399034","UNCO-05174":"1.057824493","UNCO-05175":"5.715351271","UNCO-05176":"0.531064931","UNCO-05177":"0.906294764","UNCO-05178":"5.642935027","UNCO-05179":"1.758992902","UNCO-05180":"1.603951532","UNCO-05181":"3.057151027","UNCO-05182":"5.34679997"},{"Metabolite":"alpha-muricholate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"0.188824368","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"0.032978225","UNCO-05161":"0.133278344","UNCO-05162":"1.366756356","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"0.247146","UNCO-05166":"0.79576282","UNCO-05167":"1.99655799","UNCO-05168":"6.926816908","UNCO-05169":"11.24788392","UNCO-05170":"13.3189598","UNCO-05171":"2.996947852","UNCO-05173":"0.100943962","UNCO-05174":"0.457345227","UNCO-05175":"1.213432638","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"3.568886053","UNCO-05179":"1.430153491","UNCO-05180":"0.59309358","UNCO-05181":"1","UNCO-05182":"0.857725242"},{"Metabolite":"p-cresol sulfate","UNCO-05151":"0.604447288","UNCO-05152":"0.52579954","UNCO-05153":"0.400031536","UNCO-05154":"0.295883979","UNCO-05155":"2.055317605","UNCO-05156":"2.646478735","UNCO-05157":"0.947594774","UNCO-05158":"0.441322074","UNCO-05159":"0.754095593","UNCO-05160":"0.948995271","UNCO-05161":"0.87284112","UNCO-05162":"1.062171728","UNCO-05163":"0.797704009","UNCO-05164":"3.195327327","UNCO-05165":"1.45244954","UNCO-05166":"1.80460969","UNCO-05167":"1.234522305","UNCO-05168":"0.925737429","UNCO-05169":"1","UNCO-05170":"1.168847305","UNCO-05171":"0.739926026","UNCO-05173":"1.269417185","UNCO-05174":"0.985931896","UNCO-05175":"3.639745917","UNCO-05176":"1.129304646","UNCO-05177":"1.73540842","UNCO-05178":"2.444318028","UNCO-05179":"0.402623891","UNCO-05180":"1.585358019","UNCO-05181":"2.061723334","UNCO-05182":"0.411151185"},{"Metabolite":"eicosenoate (20:1)","UNCO-05151":"1.015262985","UNCO-05152":"1.608654504","UNCO-05153":"2.541507004","UNCO-05154":"1.873713129","UNCO-05155":"0.951329293","UNCO-05156":"0.964334636","UNCO-05157":"0.469748086","UNCO-05158":"0.509544035","UNCO-05159":"1.019685223","UNCO-05160":"2.330810618","UNCO-05161":"0.879940698","UNCO-05162":"0.638846737","UNCO-05163":"1.399564844","UNCO-05164":"1.79877509","UNCO-05165":"1.27963252","UNCO-05166":"0.765541854","UNCO-05167":"0.60079713","UNCO-05168":"0.59389543","UNCO-05169":"0.726982629","UNCO-05170":"1.49941294","UNCO-05171":"1.18981887","UNCO-05173":"0.853999167","UNCO-05174":"0.924796201","UNCO-05175":"1","UNCO-05176":"1.10299874","UNCO-05177":"1.162935744","UNCO-05178":"0.823926375","UNCO-05179":"0.335186858","UNCO-05180":"0.920310721","UNCO-05181":"1.225884829","UNCO-05182":"1.104268858"},{"Metabolite":"linolenate [alpha or gamma; (18:3n3 or 6)]","UNCO-05151":"0.692707226","UNCO-05152":"0.797070509","UNCO-05153":"0.96023876","UNCO-05154":"1.419397623","UNCO-05155":"0.481610202","UNCO-05156":"0.646191401","UNCO-05157":"0.278227556","UNCO-05158":"0.784389639","UNCO-05159":"1.080964912","UNCO-05160":"1.177075634","UNCO-05161":"0.747894155","UNCO-05162":"0.463162642","UNCO-05163":"1.44204331","UNCO-05164":"2.960978544","UNCO-05165":"1.457164084","UNCO-05166":"1.566273732","UNCO-05167":"0.621632833","UNCO-05168":"0.822564489","UNCO-05169":"0.571355252","UNCO-05170":"1.684652125","UNCO-05171":"2.662363319","UNCO-05173":"1.179754622","UNCO-05174":"1.370287576","UNCO-05175":"0.282811712","UNCO-05176":"1.365602269","UNCO-05177":"2.153469537","UNCO-05178":"1","UNCO-05179":"0.402312923","UNCO-05180":"0.899268714","UNCO-05181":"1.269331718","UNCO-05182":"1.255671977"},{"Metabolite":"aconitate [cis or trans]","UNCO-05151":"0.741404356","UNCO-05152":"1.449721325","UNCO-05153":"1.001361474","UNCO-05154":"1.334544714","UNCO-05155":"0.597449005","UNCO-05156":"0.468262952","UNCO-05157":"0.462439959","UNCO-05158":"0.382651135","UNCO-05159":"1.430511356","UNCO-05160":"1","UNCO-05161":"1.034110918","UNCO-05162":"0.534399087","UNCO-05163":"1.052118503","UNCO-05164":"0.65415123","UNCO-05165":"0.686809555","UNCO-05166":"0.922786629","UNCO-05167":"1.075578805","UNCO-05168":"0.832802365","UNCO-05169":"1.042115317","UNCO-05170":"1.089911179","UNCO-05171":"0.953709067","UNCO-05173":"1.207318994","UNCO-05174":"0.94686493","UNCO-05175":"1.099642281","UNCO-05176":"1.280564901","UNCO-05177":"1.01949044","UNCO-05178":"0.970119367","UNCO-05179":"0.478017342","UNCO-05180":"1.238933588","UNCO-05181":"1.426401653","UNCO-05182":"0.396523539"},{"Metabolite":"N6-carbamoylthreonyladenosine","UNCO-05151":"1.205732077","UNCO-05152":"1.651625715","UNCO-05153":"1.60255133","UNCO-05154":"1.449791316","UNCO-05155":"0.871474251","UNCO-05156":"1.012877819","UNCO-05157":"0.547202962","UNCO-05158":"0.959081117","UNCO-05159":"1.494786267","UNCO-05160":"1.644937731","UNCO-05161":"1.496385056","UNCO-05162":"0.605664759","UNCO-05163":"1.359676876","UNCO-05164":"1.048683945","UNCO-05165":"1.051598788","UNCO-05166":"0.931928644","UNCO-05167":"0.85061932","UNCO-05168":"0.83555032","UNCO-05169":"0.95539549","UNCO-05170":"1","UNCO-05171":"1.065203635","UNCO-05173":"0.755920565","UNCO-05174":"0.78439246","UNCO-05175":"1.01850892","UNCO-05176":"0.847741501","UNCO-05177":"1.032086839","UNCO-05178":"0.843968361","UNCO-05179":"0.220703467","UNCO-05180":"0.845479636","UNCO-05181":"0.92669135","UNCO-05182":"1.944520364"},{"Metabolite":"phenylacetylglutamine","UNCO-05151":"1.628433356","UNCO-05152":"3.275226506","UNCO-05153":"1.387375528","UNCO-05154":"2.695224034","UNCO-05155":"0.430920526","UNCO-05156":"1.353486527","UNCO-05157":"0.26893183","UNCO-05158":"0.314861235","UNCO-05159":"2.292096859","UNCO-05160":"2.037068209","UNCO-05161":"2.357806555","UNCO-05162":"NA","UNCO-05163":"1.326432042","UNCO-05164":"1.099935609","UNCO-05165":"0.91898614","UNCO-05166":"NA","UNCO-05167":"0.487906913","UNCO-05168":"NA","UNCO-05169":"0.349894959","UNCO-05170":"0.956540856","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"1.043459144","UNCO-05176":"0.361485278","UNCO-05177":"0.366444009","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.353368152","UNCO-05181":"NA","UNCO-05182":"0.74939024"},{"Metabolite":"4-hydroxyhippurate","UNCO-05151":"2.350677707","UNCO-05152":"1.185989627","UNCO-05153":"8.821950683","UNCO-05154":"1.053938504","UNCO-05155":"2.014996753","UNCO-05156":"1.648393147","UNCO-05157":"0.669492746","UNCO-05158":"0.494342257","UNCO-05159":"1.553187308","UNCO-05160":"8.469653762","UNCO-05161":"7.506936451","UNCO-05162":"1.048584591","UNCO-05163":"0.976918946","UNCO-05164":"1.023740332","UNCO-05165":"1.319605629","UNCO-05166":"0.506359583","UNCO-05167":"0.740058991","UNCO-05168":"0.616333964","UNCO-05169":"0.840462979","UNCO-05170":"1.08798367","UNCO-05171":"0.301349617","UNCO-05173":"0.149474887","UNCO-05174":"0.213209278","UNCO-05175":"1.023081054","UNCO-05176":"0.815138752","UNCO-05177":"0.318633919","UNCO-05178":"0.206830224","UNCO-05179":"NA","UNCO-05180":"0.179218448","UNCO-05181":"0.606140518","UNCO-05182":"2.776598182"},{"Metabolite":"5,6-dihydrouridine","UNCO-05151":"1.033395236","UNCO-05152":"1.14438341","UNCO-05153":"1.446996873","UNCO-05154":"1.377791319","UNCO-05155":"0.694402776","UNCO-05156":"0.613032815","UNCO-05157":"0.678571501","UNCO-05158":"0.632676509","UNCO-05159":"1","UNCO-05160":"1.219551399","UNCO-05161":"1.371832036","UNCO-05162":"0.498063581","UNCO-05163":"0.947610815","UNCO-05164":"0.818912924","UNCO-05165":"0.870261989","UNCO-05166":"1.035911828","UNCO-05167":"0.861271852","UNCO-05168":"1.317209124","UNCO-05169":"1.083904555","UNCO-05170":"0.89492605","UNCO-05171":"1.032647134","UNCO-05173":"0.894499261","UNCO-05174":"0.899314167","UNCO-05175":"1.539834097","UNCO-05176":"1.068628025","UNCO-05177":"1.161354484","UNCO-05178":"0.71888355","UNCO-05179":"0.34210916","UNCO-05180":"1.034879335","UNCO-05181":"0.767774406","UNCO-05182":"1.435627457"},{"Metabolite":"3-(3-amino-3-carboxypropyl)uridine*","UNCO-05151":"1.302040324","UNCO-05152":"1.686823785","UNCO-05153":"1.700204937","UNCO-05154":"1.441472529","UNCO-05155":"0.98420783","UNCO-05156":"0.836789126","UNCO-05157":"NA","UNCO-05158":"1.055076701","UNCO-05159":"1.156429885","UNCO-05160":"1.376661342","UNCO-05161":"1.47664326","UNCO-05162":"0.549893011","UNCO-05163":"1.541258552","UNCO-05164":"0.805491094","UNCO-05165":"1.39846599","UNCO-05166":"0.973885657","UNCO-05167":"0.743934782","UNCO-05168":"0.745004671","UNCO-05169":"1.205795485","UNCO-05170":"0.867981676","UNCO-05171":"1.030378831","UNCO-05173":"0.884512221","UNCO-05174":"0.810388475","UNCO-05175":"1.135182785","UNCO-05176":"0.88638076","UNCO-05177":"0.700777553","UNCO-05178":"0.696121274","UNCO-05179":"NA","UNCO-05180":"0.765212019","UNCO-05181":"1","UNCO-05182":"1.681820922"},{"Metabolite":"1-arachidonylglycerol (20:4)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.830510157","UNCO-05154":"2.308979442","UNCO-05155":"0.433767346","UNCO-05156":"NA","UNCO-05157":"1.385870441","UNCO-05158":"1.094989552","UNCO-05159":"NA","UNCO-05160":"3.968617405","UNCO-05161":"0.878966402","UNCO-05162":"0.408656636","UNCO-05163":"0.780800639","UNCO-05164":"0.909548049","UNCO-05165":"1.003544691","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.428828167","UNCO-05169":"NA","UNCO-05170":"1","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"1.466704397","UNCO-05176":"1.030373136","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"1-palmitoyl-GPA (16:0)","UNCO-05151":"1.102112736","UNCO-05152":"0.780994805","UNCO-05153":"1.067364313","UNCO-05154":"1","UNCO-05155":"0.90839532","UNCO-05156":"0.382269423","UNCO-05157":"0.749219862","UNCO-05158":"0.894233108","UNCO-05159":"0.90106061","UNCO-05160":"0.895304089","UNCO-05161":"0.932950571","UNCO-05162":"0.967056971","UNCO-05163":"1.205962044","UNCO-05164":"0.739781844","UNCO-05165":"0.459270677","UNCO-05166":"0.924954983","UNCO-05167":"1.337062911","UNCO-05168":"1.428656277","UNCO-05169":"0.825827983","UNCO-05170":"1.257707573","UNCO-05171":"1.209269263","UNCO-05173":"1.186422302","UNCO-05174":"1.646067257","UNCO-05175":"1.726757549","UNCO-05176":"1.625831754","UNCO-05177":"1.314670362","UNCO-05178":"1.78557947","UNCO-05179":"0.187981635","UNCO-05180":"1.172766355","UNCO-05181":"1.3212848","UNCO-05182":"0.595321059"},{"Metabolite":"5-methyluridine (ribothymidine)","UNCO-05151":"0.816881926","UNCO-05152":"0.569839","UNCO-05153":"1","UNCO-05154":"0.776749095","UNCO-05155":"0.65086884","UNCO-05156":"0.907868314","UNCO-05157":"0.808131616","UNCO-05158":"0.896636848","UNCO-05159":"1.019903424","UNCO-05160":"0.678520437","UNCO-05161":"0.572620024","UNCO-05162":"1.41306375","UNCO-05163":"0.729743507","UNCO-05164":"0.758230863","UNCO-05165":"0.776321542","UNCO-05166":"1.319486899","UNCO-05167":"1.040091237","UNCO-05168":"1.122432752","UNCO-05169":"1.101069654","UNCO-05170":"1.090405033","UNCO-05171":"2.534289296","UNCO-05173":"1.658462244","UNCO-05174":"1.347123019","UNCO-05175":"1.167072293","UNCO-05176":"1.20393851","UNCO-05177":"2.066460178","UNCO-05178":"1.458378475","UNCO-05179":"0.729975662","UNCO-05180":"0.969003436","UNCO-05181":"1.065234593","UNCO-05182":"0.752991898"},{"Metabolite":"isovalerylglycine","UNCO-05151":"0.623600608","UNCO-05152":"1.48955861","UNCO-05153":"1.291398373","UNCO-05154":"0.948427154","UNCO-05155":"1.36669352","UNCO-05156":"1.384405199","UNCO-05157":"0.395135441","UNCO-05158":"0.693009333","UNCO-05159":"0.759687926","UNCO-05160":"1.422465255","UNCO-05161":"1.017204622","UNCO-05162":"1.002393994","UNCO-05163":"1.536830015","UNCO-05164":"1.981164819","UNCO-05165":"1.088115149","UNCO-05166":"0.912411279","UNCO-05167":"0.997606006","UNCO-05168":"1.370868481","UNCO-05169":"1.569493615","UNCO-05170":"1.319950821","UNCO-05171":"0.9668772","UNCO-05173":"0.435729644","UNCO-05174":"0.627916861","UNCO-05175":"0.874198536","UNCO-05176":"0.937832507","UNCO-05177":"0.528333104","UNCO-05178":"0.887650935","UNCO-05179":"NA","UNCO-05180":"0.443724056","UNCO-05181":"1.046520505","UNCO-05182":"1.808790435"},{"Metabolite":"N1-methyl-2-pyridone-5-carboxamide","UNCO-05151":"3.001735537","UNCO-05152":"2.640255962","UNCO-05153":"1.349636713","UNCO-05154":"3.172857646","UNCO-05155":"0.955688929","UNCO-05156":"0.709751792","UNCO-05157":"0.576936122","UNCO-05158":"0.767532216","UNCO-05159":"2.198141538","UNCO-05160":"2.787152778","UNCO-05161":"2.68590887","UNCO-05162":"0.253648983","UNCO-05163":"1.257363641","UNCO-05164":"0.711703298","UNCO-05165":"0.406476081","UNCO-05166":"1.338757565","UNCO-05167":"1.452250073","UNCO-05168":"0.98996844","UNCO-05169":"1.080533591","UNCO-05170":"1.432726521","UNCO-05171":"0.900378334","UNCO-05173":"0.676911126","UNCO-05174":"1","UNCO-05175":"0.970691305","UNCO-05176":"1.197414326","UNCO-05177":"1.207845959","UNCO-05178":"0.464000884","UNCO-05179":"0.196621969","UNCO-05180":"0.960535828","UNCO-05181":"0.391519023","UNCO-05182":"2.327586683"},{"Metabolite":"mead acid (20:3n9)","UNCO-05151":"1.336284272","UNCO-05152":"1.036992087","UNCO-05153":"1.304516019","UNCO-05154":"1.562246741","UNCO-05155":"NA","UNCO-05156":"0.306041707","UNCO-05157":"0.270268502","UNCO-05158":"0.601894215","UNCO-05159":"0.517586913","UNCO-05160":"1.507666718","UNCO-05161":"0.731407892","UNCO-05162":"NA","UNCO-05163":"1.378981075","UNCO-05164":"1.134564134","UNCO-05165":"1.223372449","UNCO-05166":"1.083245817","UNCO-05167":"0.872732484","UNCO-05168":"0.866376556","UNCO-05169":"NA","UNCO-05170":"1.525808392","UNCO-05171":"1.163717151","UNCO-05173":"0.963007913","UNCO-05174":"0.724442848","UNCO-05175":"0.567310181","UNCO-05176":"NA","UNCO-05177":"1.355144024","UNCO-05178":"NA","UNCO-05179":"0.282513358","UNCO-05180":"0.562412378","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"1-docosahexaenoylglycerol (22:6)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.832259606","UNCO-05154":"1.152952647","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"1.216906754","UNCO-05158":"NA","UNCO-05159":"1.281070772","UNCO-05160":"3.929859014","UNCO-05161":"1.001785633","UNCO-05162":"NA","UNCO-05163":"1.546761348","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.480549307","UNCO-05167":"1.108147485","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"0.933669193","UNCO-05171":"NA","UNCO-05173":"0.998214367","UNCO-05174":"0.741367715","UNCO-05175":"0.317665889","UNCO-05176":"1.998478138","UNCO-05177":"NA","UNCO-05178":"0.82357864","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"0.68137984","UNCO-05182":"NA"},{"Metabolite":"phenol sulfate","UNCO-05151":"1.233171718","UNCO-05152":"1","UNCO-05153":"1.885256935","UNCO-05154":"1.819865863","UNCO-05155":"0.614665873","UNCO-05156":"0.59602594","UNCO-05157":"0.347757383","UNCO-05158":"0.492154462","UNCO-05159":"2.03950546","UNCO-05160":"0.094808188","UNCO-05161":"0.236994857","UNCO-05162":"0.409734817","UNCO-05163":"0.599399153","UNCO-05164":"0.781278523","UNCO-05165":"0.929335505","UNCO-05166":"1.190100578","UNCO-05167":"0.52704543","UNCO-05168":"2.647227709","UNCO-05169":"2.687955588","UNCO-05170":"3.565638573","UNCO-05171":"1.69144218","UNCO-05173":"0.372587539","UNCO-05174":"1.089135454","UNCO-05175":"2.729203281","UNCO-05176":"2.194979865","UNCO-05177":"1.075384453","UNCO-05178":"1.383985485","UNCO-05179":"0.364494896","UNCO-05180":"0.837822926","UNCO-05181":"3.671343457","UNCO-05182":"0.829803254"},{"Metabolite":"hexanoylglycine","UNCO-05151":"0.304527308","UNCO-05152":"1.402354003","UNCO-05153":"2.035260842","UNCO-05154":"1.281233298","UNCO-05155":"NA","UNCO-05156":"2.656826931","UNCO-05157":"NA","UNCO-05158":"0.349893702","UNCO-05159":"1.253590644","UNCO-05160":"1.443258073","UNCO-05161":"0.53193955","UNCO-05162":"0.30168703","UNCO-05163":"0.746409356","UNCO-05164":"2.365337075","UNCO-05165":"1.605968316","UNCO-05166":"0.367210233","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"0.494893778","UNCO-05170":"NA","UNCO-05171":"0.55821127","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.235515687","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"2.007177046"},{"Metabolite":"2-hydroxy-3-methylvalerate","UNCO-05151":"0.703558273","UNCO-05152":"1.631493038","UNCO-05153":"1.193204629","UNCO-05154":"1.273195332","UNCO-05155":"1.003081442","UNCO-05156":"1.197539777","UNCO-05157":"3.671926834","UNCO-05158":"0.450372942","UNCO-05159":"1.907813832","UNCO-05160":"0.918350601","UNCO-05161":"0.786156756","UNCO-05162":"0.638272209","UNCO-05163":"1.922599469","UNCO-05164":"0.827877714","UNCO-05165":"0.53351552","UNCO-05166":"0.791335338","UNCO-05167":"2.393535312","UNCO-05168":"1.217688884","UNCO-05169":"1.911789772","UNCO-05170":"2.75361145","UNCO-05171":"1","UNCO-05173":"0.717111333","UNCO-05174":"0.635358046","UNCO-05175":"0.897951458","UNCO-05176":"1.112398665","UNCO-05177":"1.335301347","UNCO-05178":"0.7387994","UNCO-05179":"0.105816705","UNCO-05180":"0.683514816","UNCO-05181":"0.563088555","UNCO-05182":"3.273841554"},{"Metabolite":"2-palmitoleoyl-GPC (16:1)*","UNCO-05151":"1.180294396","UNCO-05152":"0.371237167","UNCO-05153":"0.924366326","UNCO-05154":"0.682632482","UNCO-05155":"0.913422598","UNCO-05156":"0.656620489","UNCO-05157":"2.048906539","UNCO-05158":"0.948382977","UNCO-05159":"1.145328407","UNCO-05160":"0.424084698","UNCO-05161":"0.899263238","UNCO-05162":"0.854097316","UNCO-05163":"0.76123793","UNCO-05164":"0.438691698","UNCO-05165":"NA","UNCO-05166":"1.035704775","UNCO-05167":"1.335420582","UNCO-05168":"1.050801093","UNCO-05169":"0.964295225","UNCO-05170":"1.439870509","UNCO-05171":"0.935503217","UNCO-05173":"2.448956953","UNCO-05174":"2.055193933","UNCO-05175":"1.338782087","UNCO-05176":"1.186487613","UNCO-05177":"0.957683623","UNCO-05178":"1.661902597","UNCO-05179":"0.414172505","UNCO-05180":"1.939913289","UNCO-05181":"1.292906835","UNCO-05182":"1.25538966"},{"Metabolite":"2-palmitoyl-GPC (16:0)*","UNCO-05151":"1.132069482","UNCO-05152":"0.601411929","UNCO-05153":"1.155579887","UNCO-05154":"1.164438911","UNCO-05155":"1.064571577","UNCO-05156":"0.858406604","UNCO-05157":"1.109013782","UNCO-05158":"0.972139756","UNCO-05159":"1.232346973","UNCO-05160":"0.99698883","UNCO-05161":"1","UNCO-05162":"1.080969957","UNCO-05163":"0.967597585","UNCO-05164":"0.824772","UNCO-05165":"0.980282501","UNCO-05166":"0.801653178","UNCO-05167":"1.063376442","UNCO-05168":"0.90589995","UNCO-05169":"0.941013445","UNCO-05170":"1.236177605","UNCO-05171":"0.90801499","UNCO-05173":"1.426269432","UNCO-05174":"1.186183791","UNCO-05175":"0.918402172","UNCO-05176":"1.250746177","UNCO-05177":"0.889281528","UNCO-05178":"1.373547599","UNCO-05179":"0.286404556","UNCO-05180":"1.195348559","UNCO-05181":"1.175026373","UNCO-05182":"0.813649609"},{"Metabolite":"N-acetylcitrulline","UNCO-05151":"1.212482252","UNCO-05152":"0.86658706","UNCO-05153":"0.954702751","UNCO-05154":"0.663117028","UNCO-05155":"2.170626222","UNCO-05156":"0.786241958","UNCO-05157":"0.294498209","UNCO-05158":"0.276760413","UNCO-05159":"0.455399312","UNCO-05160":"1.879567746","UNCO-05161":"1","UNCO-05162":"1.013359414","UNCO-05163":"0.586784948","UNCO-05164":"0.54403334","UNCO-05165":"0.840309338","UNCO-05166":"1.021734481","UNCO-05167":"1.367583632","UNCO-05168":"1.179651809","UNCO-05169":"1.563580115","UNCO-05170":"1.412888307","UNCO-05171":"1.859863539","UNCO-05173":"0.88010539","UNCO-05174":"0.857274828","UNCO-05175":"1.058482893","UNCO-05176":"1.734977158","UNCO-05177":"1.183311352","UNCO-05178":"0.988574323","UNCO-05179":"0.25799634","UNCO-05180":"0.61342506","UNCO-05181":"1.257889406","UNCO-05182":"3.164951256"},{"Metabolite":"2-hydroxypalmitate","UNCO-05151":"0.909272605","UNCO-05152":"0.757040031","UNCO-05153":"1.219830733","UNCO-05154":"1.537867187","UNCO-05155":"0.718674467","UNCO-05156":"0.820437152","UNCO-05157":"0.562106391","UNCO-05158":"0.950785873","UNCO-05159":"0.994588538","UNCO-05160":"1.055911694","UNCO-05161":"1","UNCO-05162":"0.724277855","UNCO-05163":"1.521244439","UNCO-05164":"1.222277659","UNCO-05165":"1.222773754","UNCO-05166":"0.901749047","UNCO-05167":"0.859473398","UNCO-05168":"0.737232751","UNCO-05169":"0.905928958","UNCO-05170":"1.344492579","UNCO-05171":"1.490746813","UNCO-05173":"1.192062618","UNCO-05174":"1.078485364","UNCO-05175":"0.712071171","UNCO-05176":"0.967451651","UNCO-05177":"1.2280307","UNCO-05178":"1.123793865","UNCO-05179":"0.342436535","UNCO-05180":"1.139857629","UNCO-05181":"1.152479317","UNCO-05182":"1.746216931"},{"Metabolite":"docosapentaenoate (n6 DPA; 22:5n6)","UNCO-05151":"1.81766125","UNCO-05152":"1.680983427","UNCO-05153":"1.32962899","UNCO-05154":"1.594845519","UNCO-05155":"0.364944625","UNCO-05156":"0.312718367","UNCO-05157":"0.207970461","UNCO-05158":"0.471934149","UNCO-05159":"0.731928122","UNCO-05160":"2.280265449","UNCO-05161":"0.97544215","UNCO-05162":"0.322080377","UNCO-05163":"1.346154223","UNCO-05164":"NA","UNCO-05165":"0.922726934","UNCO-05166":"1.020652858","UNCO-05167":"0.705553902","UNCO-05168":"1.054623069","UNCO-05169":"1.228085149","UNCO-05170":"1.425600758","UNCO-05171":"1.190137207","UNCO-05173":"0.979347142","UNCO-05174":"0.634364727","UNCO-05175":"0.505491157","UNCO-05176":"1.14409436","UNCO-05177":"1.05621629","UNCO-05178":"NA","UNCO-05179":"0.276021241","UNCO-05180":"0.526113527","UNCO-05181":"NA","UNCO-05182":"1.44670153"},{"Metabolite":"phenylpropionylglycine","UNCO-05151":"0.93786939","UNCO-05152":"1.38527863","UNCO-05153":"1.92490208","UNCO-05154":"0.700715113","UNCO-05155":"1.341307058","UNCO-05156":"3.007111106","UNCO-05157":"0.47643408","UNCO-05158":"0.576858184","UNCO-05159":"3.111293909","UNCO-05160":"1.269363403","UNCO-05161":"1.06213061","UNCO-05162":"0.596720445","UNCO-05163":"0.390168141","UNCO-05164":"3.196779288","UNCO-05165":"2.023220672","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"0.366731313","UNCO-05171":"0.277118971","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.217011814","UNCO-05176":"NA","UNCO-05177":"0.236557849","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.765191407"},{"Metabolite":"hydroquinone sulfate","UNCO-05151":"0.67698093","UNCO-05152":"0.795367367","UNCO-05153":"0.467264374","UNCO-05154":"1.294110232","UNCO-05155":"1.489842183","UNCO-05156":"0.524714411","UNCO-05157":"1.878103327","UNCO-05158":"0.710528703","UNCO-05159":"0.846309716","UNCO-05160":"0.717260794","UNCO-05161":"0.2717807","UNCO-05162":"1.643107533","UNCO-05163":"0.423942179","UNCO-05164":"1.491647911","UNCO-05165":"0.681898698","UNCO-05166":"0.774728019","UNCO-05167":"1.420193216","UNCO-05168":"1.238766719","UNCO-05169":"0.865870975","UNCO-05170":"1.212032203","UNCO-05171":"1.141135174","UNCO-05173":"1.233680887","UNCO-05174":"1","UNCO-05175":"0.732943222","UNCO-05176":"1.565240641","UNCO-05177":"1.256743788","UNCO-05178":"1.558885739","UNCO-05179":"0.431555648","UNCO-05180":"1.290434798","UNCO-05181":"3.55585773","UNCO-05182":"0.559013696"},{"Metabolite":"catechol sulfate","UNCO-05151":"1.123783036","UNCO-05152":"0.53750974","UNCO-05153":"0.85794241","UNCO-05154":"0.824121485","UNCO-05155":"1.360884405","UNCO-05156":"0.749731565","UNCO-05157":"1.392937667","UNCO-05158":"0.89593539","UNCO-05159":"1.118664378","UNCO-05160":"1","UNCO-05161":"1.022014822","UNCO-05162":"1.142138087","UNCO-05163":"0.366934966","UNCO-05164":"1.355599385","UNCO-05165":"0.653692795","UNCO-05166":"1.176953391","UNCO-05167":"1.580704043","UNCO-05168":"1.830157292","UNCO-05169":"0.896382733","UNCO-05170":"1.472654193","UNCO-05171":"1.123722361","UNCO-05173":"0.873958064","UNCO-05174":"0.987307687","UNCO-05175":"0.84822437","UNCO-05176":"1.799809917","UNCO-05177":"1.425195994","UNCO-05178":"0.972098287","UNCO-05179":"0.423304131","UNCO-05180":"0.949926053","UNCO-05181":"2.153607167","UNCO-05182":"0.812990041"},{"Metabolite":"7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)","UNCO-05151":"2.936376267","UNCO-05152":"1.514184376","UNCO-05153":"1.742490534","UNCO-05154":"2.32357481","UNCO-05155":"1.268042726","UNCO-05156":"0.536024347","UNCO-05157":"1.204277458","UNCO-05158":"0.928247576","UNCO-05159":"1.719344151","UNCO-05160":"2.9179303","UNCO-05161":"2.014051591","UNCO-05162":"1","UNCO-05163":"1.701002823","UNCO-05164":"1.026085155","UNCO-05165":"0.908031651","UNCO-05166":"0.682931147","UNCO-05167":"0.555901636","UNCO-05168":"2.30347541","UNCO-05169":"0.930683645","UNCO-05170":"3.401162413","UNCO-05171":"0.696859287","UNCO-05173":"0.683138164","UNCO-05174":"0.595869283","UNCO-05175":"0.805033465","UNCO-05176":"0.728282022","UNCO-05177":"0.718198597","UNCO-05178":"1.193048115","UNCO-05179":"0.390882982","UNCO-05180":"0.578871702","UNCO-05181":"0.844520068","UNCO-05182":"2.078591037"},{"Metabolite":"3beta,7alpha-dihydroxy-5-cholestenoate","UNCO-05151":"4.307709203","UNCO-05152":"1.892056573","UNCO-05153":"1.589825688","UNCO-05154":"2.301629953","UNCO-05155":"0.935805264","UNCO-05156":"0.225319565","UNCO-05157":"1.413955652","UNCO-05158":"0.250834859","UNCO-05159":"3.941711202","UNCO-05160":"4.924144927","UNCO-05161":"3.199960426","UNCO-05162":"0.426538376","UNCO-05163":"1.093643084","UNCO-05164":"0.466461398","UNCO-05165":"0.240061027","UNCO-05166":"0.893470242","UNCO-05167":"1.360533791","UNCO-05168":"1.063016823","UNCO-05169":"0.504843422","UNCO-05170":"1","UNCO-05171":"0.159166837","UNCO-05173":"0.12357749","UNCO-05174":"0.122092144","UNCO-05175":"1.886908243","UNCO-05176":"2.319224359","UNCO-05177":"1.487649549","UNCO-05178":"0.141972181","UNCO-05179":"0.042111719","UNCO-05180":"0.126871292","UNCO-05181":"0.108797882","UNCO-05182":"1.434283775"},{"Metabolite":"tetradecanedioate (C14-DC)","UNCO-05151":"1.606835842","UNCO-05152":"6.602050631","UNCO-05153":"2.185596791","UNCO-05154":"5.928062156","UNCO-05155":"0.821663674","UNCO-05156":"1.876238681","UNCO-05157":"0.923133655","UNCO-05158":"1.031136884","UNCO-05159":"4.200647799","UNCO-05160":"2.591254288","UNCO-05161":"1.464105064","UNCO-05162":"0.816526796","UNCO-05163":"1.68639378","UNCO-05164":"3.316164358","UNCO-05165":"1.358777039","UNCO-05166":"0.473158989","UNCO-05167":"0.362905741","UNCO-05168":"0.853539483","UNCO-05169":"0.983243098","UNCO-05170":"1","UNCO-05171":"1.109891746","UNCO-05173":"0.468715143","UNCO-05174":"0.671596572","UNCO-05175":"0.306586443","UNCO-05176":"0.409004195","UNCO-05177":"1.138859622","UNCO-05178":"0.48761764","UNCO-05179":"0.260235126","UNCO-05180":"0.557538194","UNCO-05181":"0.590788832","UNCO-05182":"10.92526942"},{"Metabolite":"hexadecanedioate (C16-DC)","UNCO-05151":"1.125296964","UNCO-05152":"3.36590467","UNCO-05153":"1.791528849","UNCO-05154":"3.870650214","UNCO-05155":"0.603291336","UNCO-05156":"1.282130388","UNCO-05157":"0.473865449","UNCO-05158":"0.598523784","UNCO-05159":"2.706652564","UNCO-05160":"1.806189272","UNCO-05161":"1.169590211","UNCO-05162":"0.415147658","UNCO-05163":"1.390541158","UNCO-05164":"2.81218523","UNCO-05165":"1","UNCO-05166":"0.389891565","UNCO-05167":"0.278677823","UNCO-05168":"0.76569088","UNCO-05169":"1.023126737","UNCO-05170":"1.097692728","UNCO-05171":"1.028990325","UNCO-05173":"0.356533214","UNCO-05174":"0.660232219","UNCO-05175":"0.392892527","UNCO-05176":"0.323391717","UNCO-05177":"1.906898278","UNCO-05178":"0.572708548","UNCO-05179":"0.259831564","UNCO-05180":"0.496463193","UNCO-05181":"0.583573471","UNCO-05182":"6.11372102"},{"Metabolite":"octadecanedioate (C18-DC)","UNCO-05151":"0.974102608","UNCO-05152":"1.570239499","UNCO-05153":"1.623102876","UNCO-05154":"2.383262266","UNCO-05155":"1.189397591","UNCO-05156":"1","UNCO-05157":"0.593598543","UNCO-05158":"1.00395868","UNCO-05159":"1.576336805","UNCO-05160":"1.239305723","UNCO-05161":"1.421819543","UNCO-05162":"0.892838101","UNCO-05163":"1.414190995","UNCO-05164":"2.359545059","UNCO-05165":"1.26446319","UNCO-05166":"0.339645337","UNCO-05167":"0.363458509","UNCO-05168":"0.91124106","UNCO-05169":"1.145552155","UNCO-05170":"1.25169646","UNCO-05171":"0.766262727","UNCO-05173":"0.483583657","UNCO-05174":"0.728962171","UNCO-05175":"0.576300097","UNCO-05176":"0.393575732","UNCO-05177":"2.149165781","UNCO-05178":"0.719239439","UNCO-05179":"0.267953845","UNCO-05180":"0.919755971","UNCO-05181":"0.82292209","UNCO-05182":"2.295434002"},{"Metabolite":"undecanedioate (C11-DC)","UNCO-05151":"0.924124566","UNCO-05152":"4.068224194","UNCO-05153":"1.623328945","UNCO-05154":"1.690877576","UNCO-05155":"0.761556962","UNCO-05156":"0.780495902","UNCO-05157":"1.041109005","UNCO-05158":"0.865659369","UNCO-05159":"1.96043128","UNCO-05160":"1.762456426","UNCO-05161":"1.219890134","UNCO-05162":"0.697571446","UNCO-05163":"1.915153083","UNCO-05164":"2.076234448","UNCO-05165":"0.966453446","UNCO-05166":"0.784638072","UNCO-05167":"1","UNCO-05168":"0.989986219","UNCO-05169":"1.131344989","UNCO-05170":"1.095057577","UNCO-05171":"1.12369375","UNCO-05173":"0.872569419","UNCO-05174":"0.826600217","UNCO-05175":"0.895669831","UNCO-05176":"0.866925568","UNCO-05177":"1.423238613","UNCO-05178":"0.999706612","UNCO-05179":"0.750520184","UNCO-05180":"1.033091031","UNCO-05181":"0.899468428","UNCO-05182":"5.093625383"},{"Metabolite":"3-(3-hydroxyphenyl)propionate","UNCO-05151":"NA","UNCO-05152":"1","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.946889226","UNCO-05156":"0.909005405","UNCO-05157":"0.610651525","UNCO-05158":"0.848338846","UNCO-05159":"1.011415844","UNCO-05160":"2.06913841","UNCO-05161":"NA","UNCO-05162":"0.336545387","UNCO-05163":"0.582267505","UNCO-05164":"0.914096208","UNCO-05165":"0.63043083","UNCO-05166":"2.010964805","UNCO-05167":"4.805196394","UNCO-05168":"0.668597862","UNCO-05169":"0.722603722","UNCO-05170":"3.658206471","UNCO-05171":"0.654786963","UNCO-05173":"1.636549583","UNCO-05174":"1.141878142","UNCO-05175":"2.019947134","UNCO-05176":"1.359391062","UNCO-05177":"0.588672965","UNCO-05178":"1.118794711","UNCO-05179":"0.384163269","UNCO-05180":"1.015300378","UNCO-05181":"1.662042055","UNCO-05182":"2.100634252"},{"Metabolite":"6beta-hydroxylithocholate","UNCO-05151":"0.481080704","UNCO-05152":"0.61704714","UNCO-05153":"0.8588582","UNCO-05154":"1.583259605","UNCO-05155":"1.274270214","UNCO-05156":"1.440516903","UNCO-05157":"0.974604845","UNCO-05158":"0.136219943","UNCO-05159":"1","UNCO-05160":"0.807597632","UNCO-05161":"1.440614503","UNCO-05162":"0.401990037","UNCO-05163":"0.698336988","UNCO-05164":"0.302452689","UNCO-05165":"1.189853346","UNCO-05166":"0.747546677","UNCO-05167":"0.892819388","UNCO-05168":"1.34201767","UNCO-05169":"8.595426717","UNCO-05170":"9.372731421","UNCO-05171":"0.770679274","UNCO-05173":"1.175539021","UNCO-05174":"0.730311941","UNCO-05175":"1.055921311","UNCO-05176":"0.245017936","UNCO-05177":"0.488523697","UNCO-05178":"3.786441129","UNCO-05179":"1.829017784","UNCO-05180":"2.066956511","UNCO-05181":"5.931356394","UNCO-05182":"4.074101631"},{"Metabolite":"jasmonic acid","UNCO-05151":"0.700306893","UNCO-05152":"1.117296038","UNCO-05153":"0.943330767","UNCO-05154":"0.625128518","UNCO-05155":"NA","UNCO-05156":"0.389066561","UNCO-05157":"0.420161403","UNCO-05158":"NA","UNCO-05159":"1.254449686","UNCO-05160":"1.253403461","UNCO-05161":"0.782599598","UNCO-05162":"0.414212128","UNCO-05163":"0.5321514","UNCO-05164":"NA","UNCO-05165":"0.560980713","UNCO-05166":"0.925312447","UNCO-05167":"3.342066514","UNCO-05168":"1.387023193","UNCO-05169":"0.801268903","UNCO-05170":"1.056669233","UNCO-05171":"1.09508765","UNCO-05173":"1.446913765","UNCO-05174":"0.68979556","UNCO-05175":"1.058826265","UNCO-05176":"2.260189715","UNCO-05177":"2.011467143","UNCO-05178":"1.751892247","UNCO-05179":"0.49959701","UNCO-05180":"1.552050343","UNCO-05181":"1.677088446","UNCO-05182":"0.715969269"},{"Metabolite":"1-arachidonoyl-GPI (20:4)*","UNCO-05151":"0.871489602","UNCO-05152":"0.825994887","UNCO-05153":"1.000098219","UNCO-05154":"1.141717085","UNCO-05155":"0.836966164","UNCO-05156":"0.434827551","UNCO-05157":"1.203976418","UNCO-05158":"1.107463368","UNCO-05159":"0.955435615","UNCO-05160":"1.347948878","UNCO-05161":"0.849761386","UNCO-05162":"0.984980614","UNCO-05163":"1.095085885","UNCO-05164":"1.079283879","UNCO-05165":"0.942511806","UNCO-05166":"1.616988319","UNCO-05167":"1.633285935","UNCO-05168":"0.848790666","UNCO-05169":"1.156081905","UNCO-05170":"1.359212672","UNCO-05171":"0.770201207","UNCO-05173":"1.286185308","UNCO-05174":"0.853013106","UNCO-05175":"1.261420628","UNCO-05176":"1.809548029","UNCO-05177":"1.22044477","UNCO-05178":"1","UNCO-05179":"0.130056742","UNCO-05180":"0.90616626","UNCO-05181":"0.966883532","UNCO-05182":"0.68161555"},{"Metabolite":"1-palmitoyl-GPI (16:0)","UNCO-05151":"0.747928993","UNCO-05152":"0.643923698","UNCO-05153":"0.84065364","UNCO-05154":"1.205615557","UNCO-05155":"0.834609902","UNCO-05156":"0.480992467","UNCO-05157":"3.197636967","UNCO-05158":"1.098022564","UNCO-05159":"1.107315431","UNCO-05160":"1.323401575","UNCO-05161":"1.011529927","UNCO-05162":"1.086313655","UNCO-05163":"1.233965248","UNCO-05164":"1","UNCO-05165":"0.820748779","UNCO-05166":"0.976280784","UNCO-05167":"1.030195255","UNCO-05168":"0.83615932","UNCO-05169":"0.458526522","UNCO-05170":"0.904569226","UNCO-05171":"0.595570161","UNCO-05173":"1.415851893","UNCO-05174":"0.976534509","UNCO-05175":"1.014473618","UNCO-05176":"1.632259232","UNCO-05177":"0.612026307","UNCO-05178":"1.181040223","UNCO-05179":"0.133278171","UNCO-05180":"1.080758378","UNCO-05181":"1.131134844","UNCO-05182":"0.313442074"},{"Metabolite":"taurolithocholate 3-sulfate","UNCO-05151":"0.780459186","UNCO-05152":"0.391295708","UNCO-05153":"1.126473399","UNCO-05154":"0.873526601","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"0.476496582","UNCO-05159":"5.68823394","UNCO-05160":"1.243626178","UNCO-05161":"0.612549245","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"3.257548756","UNCO-05167":"2.595869909","UNCO-05168":"3.167913096","UNCO-05169":"4.196562568","UNCO-05170":"11.99289677","UNCO-05171":"0.522364756","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"6.916902968","UNCO-05176":"0.708815004","UNCO-05177":"0.55486549","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"0.765539886"},{"Metabolite":"N6-succinyladenosine","UNCO-05151":"1.04876445","UNCO-05152":"2.789988731","UNCO-05153":"1.795638507","UNCO-05154":"1.744720902","UNCO-05155":"0.983715959","UNCO-05156":"1.826484065","UNCO-05157":"0.457794292","UNCO-05158":"0.763908479","UNCO-05159":"2.13487776","UNCO-05160":"1.950871963","UNCO-05161":"1.071740033","UNCO-05162":"0.94931705","UNCO-05163":"1.858567365","UNCO-05164":"1.398674069","UNCO-05165":"1.392794795","UNCO-05166":"0.782670583","UNCO-05167":"0.674249555","UNCO-05168":"2.806399125","UNCO-05169":"0.994278023","UNCO-05170":"0.867332125","UNCO-05171":"1.03465935","UNCO-05173":"0.685513005","UNCO-05174":"0.742743094","UNCO-05175":"1.005721977","UNCO-05176":"0.712774269","UNCO-05177":"0.687766727","UNCO-05178":"0.8052439","UNCO-05179":"NA","UNCO-05180":"0.665966999","UNCO-05181":"0.916300286","UNCO-05182":"2.724011934"},{"Metabolite":"N6-acetyllysine","UNCO-05151":"1.101447058","UNCO-05152":"1.345753543","UNCO-05153":"1.082629897","UNCO-05154":"1.564284991","UNCO-05155":"1.05424661","UNCO-05156":"1.037449378","UNCO-05157":"1.177186057","UNCO-05158":"0.764388195","UNCO-05159":"1.36758766","UNCO-05160":"1.501212795","UNCO-05161":"1.128380471","UNCO-05162":"1.061980795","UNCO-05163":"1.243977694","UNCO-05164":"0.845471559","UNCO-05165":"0.81958236","UNCO-05166":"0.837940585","UNCO-05167":"0.936809835","UNCO-05168":"0.84509482","UNCO-05169":"0.900400866","UNCO-05170":"1.098994069","UNCO-05171":"0.796342511","UNCO-05173":"0.828110361","UNCO-05174":"0.887791906","UNCO-05175":"1","UNCO-05176":"0.937999417","UNCO-05177":"0.834165584","UNCO-05178":"0.873259675","UNCO-05179":"0.316542191","UNCO-05180":"0.825591157","UNCO-05181":"1.022851693","UNCO-05182":"1.588110117"},{"Metabolite":"dihomo-linolenate (20:3n3 or n6)","UNCO-05151":"0.841518859","UNCO-05152":"0.884673905","UNCO-05153":"0.74090132","UNCO-05154":"1.003669823","UNCO-05155":"0.42191813","UNCO-05156":"0.37294737","UNCO-05157":"0.230108688","UNCO-05158":"0.564030577","UNCO-05159":"0.818514411","UNCO-05160":"1.108519921","UNCO-05161":"0.769331476","UNCO-05162":"0.481979231","UNCO-05163":"1.076694727","UNCO-05164":"1.034663313","UNCO-05165":"1.012666882","UNCO-05166":"1","UNCO-05167":"1.07218074","UNCO-05168":"0.921334531","UNCO-05169":"0.92984544","UNCO-05170":"1.697034869","UNCO-05171":"1.185433363","UNCO-05173":"1.215976743","UNCO-05174":"1.036540531","UNCO-05175":"0.587459301","UNCO-05176":"1.63290565","UNCO-05177":"1.651257901","UNCO-05178":"1.491101775","UNCO-05179":"0.371345629","UNCO-05180":"0.899407337","UNCO-05181":"1.440923461","UNCO-05182":"1.104263723"},{"Metabolite":"4-vinylphenol sulfate","UNCO-05151":"1.008369862","UNCO-05152":"0.289649854","UNCO-05153":"0.442282374","UNCO-05154":"0.056433923","UNCO-05155":"1.093373462","UNCO-05156":"0.517180449","UNCO-05157":"0.940522708","UNCO-05158":"0.970756212","UNCO-05159":"0.71673717","UNCO-05160":"0.14770062","UNCO-05161":"0.069038082","UNCO-05162":"0.881926185","UNCO-05163":"0.358784286","UNCO-05164":"1.490533688","UNCO-05165":"0.824593449","UNCO-05166":"0.900586782","UNCO-05167":"2.15676536","UNCO-05168":"3.099297121","UNCO-05169":"1","UNCO-05170":"1.479643062","UNCO-05171":"1.32414285","UNCO-05173":"2.19363102","UNCO-05174":"1.96988838","UNCO-05175":"1.426952494","UNCO-05176":"2.442942525","UNCO-05177":"2.559445459","UNCO-05178":"1.796378189","UNCO-05179":"0.626354306","UNCO-05180":"4.305295","UNCO-05181":"3.295118318","UNCO-05182":"0.342823194"},{"Metabolite":"4-ethylphenylsulfate","UNCO-05151":"0.640627838","UNCO-05152":"0.359441523","UNCO-05153":"0.003991104","UNCO-05154":"0.002742903","UNCO-05155":"1.264103952","UNCO-05156":"0.407642778","UNCO-05157":"1.011350421","UNCO-05158":"0.998302005","UNCO-05159":"0.839389553","UNCO-05160":"0.001166696","UNCO-05161":"0.00132936","UNCO-05162":"1.017574355","UNCO-05163":"0.246440829","UNCO-05164":"1.151765069","UNCO-05165":"0.636842537","UNCO-05166":"1.002860039","UNCO-05167":"1.643911324","UNCO-05168":"1.30031051","UNCO-05169":"0.728012497","UNCO-05170":"1","UNCO-05171":"1.046115525","UNCO-05173":"1.203797105","UNCO-05174":"1.164733965","UNCO-05175":"0.931732115","UNCO-05176":"1.649018921","UNCO-05177":"1.332210536","UNCO-05178":"1.151131079","UNCO-05179":"0.465801198","UNCO-05180":"1.516087397","UNCO-05181":"1.780684436","UNCO-05182":"0.280586995"},{"Metabolite":"thymol sulfate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.645478458","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"0.619229025","UNCO-05174":"NA","UNCO-05175":"1","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"1.475229025","UNCO-05181":"1.595337868","UNCO-05182":"NA"},{"Metabolite":"pyrraline","UNCO-05151":"0.552419509","UNCO-05152":"0.456285103","UNCO-05153":"NA","UNCO-05154":"1.103733917","UNCO-05155":"1.400923459","UNCO-05156":"0.429057606","UNCO-05157":"1.709839519","UNCO-05158":"0.132112431","UNCO-05159":"1.39556917","UNCO-05160":"0.674172011","UNCO-05161":"0.288845256","UNCO-05162":"1.728431668","UNCO-05163":"0.34031181","UNCO-05164":"0.402938322","UNCO-05165":"0.162771966","UNCO-05166":"1.039214725","UNCO-05167":"0.587192819","UNCO-05168":"1.144831204","UNCO-05169":"1.180413883","UNCO-05170":"1.532685682","UNCO-05171":"1.080006942","UNCO-05173":"0.960785275","UNCO-05174":"1.202965716","UNCO-05175":"1.05908163","UNCO-05176":"1.280578014","UNCO-05177":"0.536868721","UNCO-05178":"1.047927898","UNCO-05179":"0.251650063","UNCO-05180":"0.60684493","UNCO-05181":"1.427478558","UNCO-05182":"0.63693635"},{"Metabolite":"1-oleoyl-GPI (18:1)","UNCO-05151":"0.902886617","UNCO-05152":"0.874632668","UNCO-05153":"0.909518489","UNCO-05154":"1.154642157","UNCO-05155":"0.955738031","UNCO-05156":"0.898614852","UNCO-05157":"3.117348782","UNCO-05158":"0.898777091","UNCO-05159":"1.225065814","UNCO-05160":"1.455090609","UNCO-05161":"1.230529876","UNCO-05162":"0.916773295","UNCO-05163":"1.263719848","UNCO-05164":"1","UNCO-05165":"0.888828517","UNCO-05166":"1.73452155","UNCO-05167":"1.290778438","UNCO-05168":"0.965865679","UNCO-05169":"0.741153422","UNCO-05170":"1.298925554","UNCO-05171":"0.718965042","UNCO-05173":"1.669073711","UNCO-05174":"1.131838496","UNCO-05175":"1.874041876","UNCO-05176":"1.720166524","UNCO-05177":"0.83212624","UNCO-05178":"0.973253643","UNCO-05179":"0.285649565","UNCO-05180":"1.594165544","UNCO-05181":"1.4044539","UNCO-05182":"0.664211155"},{"Metabolite":"1-linoleoyl-GPI (18:2)*","UNCO-05151":"0.983767637","UNCO-05152":"1.573532655","UNCO-05153":"0.874706206","UNCO-05154":"1.203220709","UNCO-05155":"1.119230331","UNCO-05156":"0.570638103","UNCO-05157":"3.045320715","UNCO-05158":"0.819202127","UNCO-05159":"1.485092423","UNCO-05160":"1.833125719","UNCO-05161":"1.284960171","UNCO-05162":"0.850338451","UNCO-05163":"1.402202192","UNCO-05164":"0.905652694","UNCO-05165":"0.821768081","UNCO-05166":"1.59178316","UNCO-05167":"1.361659025","UNCO-05168":"0.917962224","UNCO-05169":"0.806815306","UNCO-05170":"1.07466851","UNCO-05171":"0.99874934","UNCO-05173":"1.511563293","UNCO-05174":"0.719903708","UNCO-05175":"0.992234338","UNCO-05176":"1.445745225","UNCO-05177":"1.029987814","UNCO-05178":"0.95336399","UNCO-05179":"0.175679524","UNCO-05180":"1.132861033","UNCO-05181":"0.901822971","UNCO-05182":"1"},{"Metabolite":"1-palmitoleoyl-GPE (16:1)*","UNCO-05151":"0.683380435","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"1.502324902","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.352539182","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"0.882336173","UNCO-05168":"0.983566918","UNCO-05169":"NA","UNCO-05170":"1.016433082","UNCO-05171":"NA","UNCO-05173":"2.356885955","UNCO-05174":"0.698934142","UNCO-05175":"6.220369642","UNCO-05176":"1.046116221","UNCO-05177":"NA","UNCO-05178":"0.574541801","UNCO-05179":"0.695321276","UNCO-05180":"2.216426448","UNCO-05181":"2.99198473","UNCO-05182":"NA"},{"Metabolite":"o-cresol sulfate","UNCO-05151":"0.089726596","UNCO-05152":"0.58355232","UNCO-05153":"0.113466353","UNCO-05154":"0.454524313","UNCO-05155":"NA","UNCO-05156":"1.127632691","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.826345124","UNCO-05160":"0.264334938","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.755889398","UNCO-05164":"1.352181732","UNCO-05165":"0.679220638","UNCO-05166":"1.737482849","UNCO-05167":"1.361662132","UNCO-05168":"1.30361697","UNCO-05169":"1.550723627","UNCO-05170":"1.892281575","UNCO-05171":"0.800764323","UNCO-05173":"1.380080308","UNCO-05174":"0.494558266","UNCO-05175":"2.419385596","UNCO-05176":"0.872367309","UNCO-05177":"1.151496477","UNCO-05178":"1.179945428","UNCO-05179":"0.116129082","UNCO-05180":"2.143985024","UNCO-05181":"1.945419874","UNCO-05182":"0.754439819"},{"Metabolite":"4-allylphenol sulfate","UNCO-05151":"0.447345655","UNCO-05152":"0.159958094","UNCO-05153":"0.311112966","UNCO-05154":"0.322424931","UNCO-05155":"0.580792672","UNCO-05156":"0.42457273","UNCO-05157":"0.298426497","UNCO-05158":"0.40652866","UNCO-05159":"0.856436103","UNCO-05160":"0.231630441","UNCO-05161":"0.273048879","UNCO-05162":"0.60053654","UNCO-05163":"0.300026445","UNCO-05164":"1.357879644","UNCO-05165":"1.377922284","UNCO-05166":"1.166066134","UNCO-05167":"2.712032838","UNCO-05168":"2.8676724","UNCO-05169":"2.362825362","UNCO-05170":"2.186519876","UNCO-05171":"1.08153414","UNCO-05173":"2.394247053","UNCO-05174":"2.284249292","UNCO-05175":"5.262597344","UNCO-05176":"3.284873358","UNCO-05177":"2.729786718","UNCO-05178":"1","UNCO-05179":"0.965528189","UNCO-05180":"3.673450777","UNCO-05181":"3.808794953","UNCO-05182":"0.335749506"},{"Metabolite":"taurocholenate sulfate*","UNCO-05151":"NA","UNCO-05152":"0.36274234","UNCO-05153":"0.44112924","UNCO-05154":"0.59339616","UNCO-05155":"1.270371803","UNCO-05156":"1.608745341","UNCO-05157":"1.279625853","UNCO-05158":"1.160530511","UNCO-05159":"1.083948707","UNCO-05160":"0.337834353","UNCO-05161":"0.519539583","UNCO-05162":"1.311754226","UNCO-05163":"1.333649811","UNCO-05164":"1.969536067","UNCO-05165":"1.587084183","UNCO-05166":"NA","UNCO-05167":"0.329822772","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"2.243266052","UNCO-05173":"1","UNCO-05174":"1.123408819","UNCO-05175":"0.257572028","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"0.943074994","UNCO-05179":"NA","UNCO-05180":"0.758128795","UNCO-05181":"0.329312891","UNCO-05182":"0.877986028"},{"Metabolite":"4-hydroxycoumarin","UNCO-05151":"1.753390906","UNCO-05152":"1.849370602","UNCO-05153":"1.018707488","UNCO-05154":"1.06416863","UNCO-05155":"0.539265965","UNCO-05156":"0.981292512","UNCO-05157":"0.248492502","UNCO-05158":"0.754863669","UNCO-05159":"1.362278121","UNCO-05160":"2.075070782","UNCO-05161":"1.657491486","UNCO-05162":"0.343527407","UNCO-05163":"1.455503719","UNCO-05164":"0.265072666","UNCO-05165":"0.598046813","UNCO-05166":"0.511749686","UNCO-05167":"1.082502524","UNCO-05168":"2.332134333","UNCO-05169":"0.745885063","UNCO-05170":"1.543313748","UNCO-05171":"0.366134475","UNCO-05173":"0.538642279","UNCO-05174":"0.53437528","UNCO-05175":"1.039499075","UNCO-05176":"1.602742983","UNCO-05177":"1.1643968","UNCO-05178":"0.361009136","UNCO-05179":"NA","UNCO-05180":"0.965830043","UNCO-05181":"0.65927918","UNCO-05182":"1.164032469"},{"Metabolite":"1-docosahexaenoyl-GPE (22:6)*","UNCO-05151":"2.148434304","UNCO-05152":"1.801278325","UNCO-05153":"1.550178407","UNCO-05154":"1.507543016","UNCO-05155":"0.763599395","UNCO-05156":"0.656951413","UNCO-05157":"1.85566605","UNCO-05158":"0.499985604","UNCO-05159":"2.366886102","UNCO-05160":"2.408936934","UNCO-05161":"1.82185099","UNCO-05162":"0.562354572","UNCO-05163":"1.144276876","UNCO-05164":"0.549018888","UNCO-05165":"0.961697226","UNCO-05166":"0.954749581","UNCO-05167":"2.259700782","UNCO-05168":"1.365025062","UNCO-05169":"0.9788621","UNCO-05170":"1.919858565","UNCO-05171":"0.721193835","UNCO-05173":"1.389159335","UNCO-05174":"0.763789172","UNCO-05175":"1","UNCO-05176":"1.529008387","UNCO-05177":"0.740391355","UNCO-05178":"0.847665612","UNCO-05179":"0.176808161","UNCO-05180":"0.797700208","UNCO-05181":"0.95293896","UNCO-05182":"1.26926883"},{"Metabolite":"gamma-CEHC","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.855903759","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.432221283","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"1.456649738","UNCO-05161":"0.814817889","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"3.2082566","UNCO-05167":"5.99715719","UNCO-05168":"6.723183947","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"0.997753765","UNCO-05173":"0.872089102","UNCO-05174":"1.002246235","UNCO-05175":"3.5150311","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.783609228","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"N-acetyl-beta-alanine","UNCO-05151":"0.481892666","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.898376","UNCO-05160":"1.359981419","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.620849238","UNCO-05164":"0.656993359","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"1.02832856","UNCO-05169":"1.168311867","UNCO-05170":"1.274829682","UNCO-05171":"1.0333168","UNCO-05173":"0.680095988","UNCO-05174":"0.978448327","UNCO-05175":"1.356234812","UNCO-05176":"1.096186427","UNCO-05177":"1.021551673","UNCO-05178":"0.611782276","UNCO-05179":"NA","UNCO-05180":"0.958336906","UNCO-05181":"0.961953272","UNCO-05182":"1.682206982"},{"Metabolite":"3-hydroxyhippurate","UNCO-05151":"1.143931586","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"0.462662794","UNCO-05155":"0.813003075","UNCO-05156":"NA","UNCO-05157":"0.742280862","UNCO-05158":"NA","UNCO-05159":"3.70734138","UNCO-05160":"1.008841341","UNCO-05161":"0.38349957","UNCO-05162":"0.866911408","UNCO-05163":"4.18749095","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"1.997138063","UNCO-05167":"2.659506145","UNCO-05168":"0.899525566","UNCO-05169":"1.389708951","UNCO-05170":"2.167414802","UNCO-05171":"1","UNCO-05173":"NA","UNCO-05174":"0.419546349","UNCO-05175":"3.298195106","UNCO-05176":"1.84511469","UNCO-05177":"0.833718048","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.701770824","UNCO-05181":"NA","UNCO-05182":"0.862967727"},{"Metabolite":"12-HETE","UNCO-05151":"1.930716849","UNCO-05152":"0.587344041","UNCO-05153":"2.096716704","UNCO-05154":"0.946434962","UNCO-05155":"0.308043439","UNCO-05156":"2.38578885","UNCO-05157":"0.21953087","UNCO-05158":"1","UNCO-05159":"0.49875304","UNCO-05160":"0.58261868","UNCO-05161":"0.539609325","UNCO-05162":"0.664248463","UNCO-05163":"0.976538644","UNCO-05164":"1.609117013","UNCO-05165":"1.072694751","UNCO-05166":"0.770713634","UNCO-05167":"0.320612493","UNCO-05168":"4.045075659","UNCO-05169":"0.407686343","UNCO-05170":"0.911411362","UNCO-05171":"3.630219794","UNCO-05173":"1.698128416","UNCO-05174":"1.069639736","UNCO-05175":"3.081021417","UNCO-05176":"2.213576711","UNCO-05177":"1.169299124","UNCO-05178":"0.272171759","UNCO-05179":"0.470748441","UNCO-05180":"1.183543439","UNCO-05181":"2.930296945","UNCO-05182":"4.667617457"},{"Metabolite":"1-margaroyl-GPE (17:0)*","UNCO-05151":"1.054520043","UNCO-05152":"0.568670313","UNCO-05153":"0.996002941","UNCO-05154":"0.787946378","UNCO-05155":"0.929638196","UNCO-05156":"0.612017578","UNCO-05157":"1.250894694","UNCO-05158":"0.813098664","UNCO-05159":"1.412772047","UNCO-05160":"0.994635731","UNCO-05161":"0.984811622","UNCO-05162":"0.896473251","UNCO-05163":"1.002072879","UNCO-05164":"0.510314147","UNCO-05165":"0.892326011","UNCO-05166":"1.012811799","UNCO-05167":"1.586564187","UNCO-05168":"1.421113251","UNCO-05169":"1.301791464","UNCO-05170":"1.965739656","UNCO-05171":"0.947163475","UNCO-05173":"1.257660287","UNCO-05174":"1.218439126","UNCO-05175":"1.353934928","UNCO-05176":"1","UNCO-05177":"0.596257397","UNCO-05178":"1.35018261","UNCO-05179":"0.334659382","UNCO-05180":"1.122882391","UNCO-05181":"1.202971521","UNCO-05182":"0.69711462"},{"Metabolite":"indole-3-carboxylate","UNCO-05151":"NA","UNCO-05152":"1.005115316","UNCO-05153":"0.994884684","UNCO-05154":"1.318592138","UNCO-05155":"0.937527656","UNCO-05156":"0.511549286","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.133095563","UNCO-05160":"1.412605979","UNCO-05161":"0.956537515","UNCO-05162":"NA","UNCO-05163":"0.885409845","UNCO-05164":"0.875303113","UNCO-05165":"1.081544153","UNCO-05166":"NA","UNCO-05167":"1.068755863","UNCO-05168":"1.174460591","UNCO-05169":"1.00636317","UNCO-05170":"1.187956883","UNCO-05171":"NA","UNCO-05173":"0.884409792","UNCO-05174":"NA","UNCO-05175":"0.931553888","UNCO-05176":"1.056985327","UNCO-05177":"1.095801547","UNCO-05178":"0.828867019","UNCO-05179":"NA","UNCO-05180":"0.817273484","UNCO-05181":"NA","UNCO-05182":"0.973317167"},{"Metabolite":"13-HODE + 9-HODE","UNCO-05151":"0.832188189","UNCO-05152":"1.167436274","UNCO-05153":"0.840643485","UNCO-05154":"1.810669539","UNCO-05155":"0.821113107","UNCO-05156":"0.827956906","UNCO-05157":"0.419946129","UNCO-05158":"0.798057665","UNCO-05159":"1.408439984","UNCO-05160":"1.247946033","UNCO-05161":"0.534898069","UNCO-05162":"0.768931615","UNCO-05163":"1.520999039","UNCO-05164":"2.84127005","UNCO-05165":"1.31326914","UNCO-05166":"0.926737727","UNCO-05167":"0.50887762","UNCO-05168":"2.160341912","UNCO-05169":"0.730701587","UNCO-05170":"1","UNCO-05171":"2.470339182","UNCO-05173":"1.458117538","UNCO-05174":"1.248277334","UNCO-05175":"0.255962378","UNCO-05176":"1.054106813","UNCO-05177":"1.331912955","UNCO-05178":"0.961874528","UNCO-05179":"0.428734582","UNCO-05180":"0.785171099","UNCO-05181":"1.090205192","UNCO-05182":"2.14448245"},{"Metabolite":"alpha-CEHC","UNCO-05151":"0.81133584","UNCO-05152":"1.17226078","UNCO-05153":"1","UNCO-05154":"0.648346731","UNCO-05155":"0.751852172","UNCO-05156":"0.197128552","UNCO-05157":"0.400994352","UNCO-05158":"0.458668884","UNCO-05159":"0.802671566","UNCO-05160":"1.987363377","UNCO-05161":"1.295848654","UNCO-05162":"0.379403421","UNCO-05163":"0.596950535","UNCO-05164":"0.45252761","UNCO-05165":"0.318956648","UNCO-05166":"2.199919966","UNCO-05167":"4.706071437","UNCO-05168":"3.934247787","UNCO-05169":"3.612981889","UNCO-05170":"5.577545253","UNCO-05171":"1.587835914","UNCO-05173":"1.287217014","UNCO-05174":"1.365133884","UNCO-05175":"4.015047445","UNCO-05176":"5.397804398","UNCO-05177":"2.696462007","UNCO-05178":"0.944495208","UNCO-05179":"0.197700051","UNCO-05180":"0.746035605","UNCO-05181":"1.362427318","UNCO-05182":"0.714871141"},{"Metabolite":"cinnamoylglycine","UNCO-05151":"1.17712182","UNCO-05152":"1.940076878","UNCO-05153":"3.21535265","UNCO-05154":"1.894494351","UNCO-05155":"1.118761184","UNCO-05156":"3.345851399","UNCO-05157":"0.265758407","UNCO-05158":"1.334484424","UNCO-05159":"1.794582046","UNCO-05160":"2.344073014","UNCO-05161":"1.067002163","UNCO-05162":"0.528099153","UNCO-05163":"1.112895184","UNCO-05164":"7.010569039","UNCO-05165":"2.852865893","UNCO-05166":"0.593253933","UNCO-05167":"1.194439375","UNCO-05168":"1","UNCO-05169":"0.74277851","UNCO-05170":"0.998275033","UNCO-05171":"0.704681226","UNCO-05173":"0.311953019","UNCO-05174":"0.349260156","UNCO-05175":"0.434999911","UNCO-05176":"0.619541315","UNCO-05177":"0.88367714","UNCO-05178":"0.259942486","UNCO-05179":"0.070163861","UNCO-05180":"0.386753145","UNCO-05181":"0.761114351","UNCO-05182":"1.790303015"},{"Metabolite":"(12 or 13)-methylmyristate (a15:0 or i15:0)","UNCO-05151":"1.212366498","UNCO-05152":"NA","UNCO-05153":"1.979735382","UNCO-05154":"1.622438663","UNCO-05155":"0.715454536","UNCO-05156":"1.526267207","UNCO-05157":"0.437024768","UNCO-05158":"0.819835232","UNCO-05159":"1.520402653","UNCO-05160":"0.901481573","UNCO-05161":"1.241702009","UNCO-05162":"0.477518967","UNCO-05163":"2.152409715","UNCO-05164":"NA","UNCO-05165":"1.779287093","UNCO-05166":"1.199209473","UNCO-05167":"NA","UNCO-05168":"0.599177996","UNCO-05169":"0.693906856","UNCO-05170":"2.205141816","UNCO-05171":"1.098518427","UNCO-05173":"0.827184759","UNCO-05174":"0.815764056","UNCO-05175":"0.827620847","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"0.582550958","UNCO-05180":"0.612991577","UNCO-05181":"NA","UNCO-05182":"1.25810484"},{"Metabolite":"(16 or 17)-methylstearate (a19:0 or i19:0)","UNCO-05151":"0.722418806","UNCO-05152":"1.160094829","UNCO-05153":"2.238867839","UNCO-05154":"1.388531828","UNCO-05155":"0.554311152","UNCO-05156":"1.3222368","UNCO-05157":"0.414966165","UNCO-05158":"0.736744328","UNCO-05159":"0.930212901","UNCO-05160":"1.50071437","UNCO-05161":"0.814440511","UNCO-05162":"0.657196344","UNCO-05163":"1.704300213","UNCO-05164":"2.018917","UNCO-05165":"1.667738807","UNCO-05166":"0.893566499","UNCO-05167":"0.925106761","UNCO-05168":"0.880155055","UNCO-05169":"0.98206844","UNCO-05170":"1.315334672","UNCO-05171":"1.227639445","UNCO-05173":"1.073084042","UNCO-05174":"0.970821087","UNCO-05175":"0.685566625","UNCO-05176":"1","UNCO-05177":"1.175318239","UNCO-05178":"1.143110152","UNCO-05179":"0.368275133","UNCO-05180":"1.199830264","UNCO-05181":"1.112360415","UNCO-05182":"0.97083536"},{"Metabolite":"2-arachidonoyl-GPI (20:4)*","UNCO-05151":"NA","UNCO-05152":"0.693644478","UNCO-05153":"1.281389542","UNCO-05154":"0.914445555","UNCO-05155":"0.693747366","UNCO-05156":"0.455384662","UNCO-05157":"1.220493307","UNCO-05158":"0.905282266","UNCO-05159":"0.879207781","UNCO-05160":"1.334824165","UNCO-05161":"0.93073674","UNCO-05162":"0.728393758","UNCO-05163":"1.24706076","UNCO-05164":"NA","UNCO-05165":"1.055419912","UNCO-05166":"1.655079398","UNCO-05167":"1.360298321","UNCO-05168":"0.947142444","UNCO-05169":"1.051885936","UNCO-05170":"1.054421452","UNCO-05171":"0.81917491","UNCO-05173":"1.488706037","UNCO-05174":"0.973612377","UNCO-05175":"1.303515815","UNCO-05176":"1.504680506","UNCO-05177":"1.216138911","UNCO-05178":"NA","UNCO-05179":"0.164752206","UNCO-05180":"0.925690758","UNCO-05181":"NA","UNCO-05182":"1"},{"Metabolite":"sulfate*","UNCO-05151":"0.805904495","UNCO-05152":"1.140757911","UNCO-05153":"0.976352471","UNCO-05154":"1.119567716","UNCO-05155":"0.916713123","UNCO-05156":"0.887119311","UNCO-05157":"0.868834293","UNCO-05158":"0.998340153","UNCO-05159":"1.025176808","UNCO-05160":"1.249557298","UNCO-05161":"1.01289581","UNCO-05162":"0.839174322","UNCO-05163":"1.425521425","UNCO-05164":"0.912833824","UNCO-05165":"1","UNCO-05166":"0.972116207","UNCO-05167":"1.04424397","UNCO-05168":"1.166923677","UNCO-05169":"0.856735377","UNCO-05170":"1.179586817","UNCO-05171":"0.855724383","UNCO-05173":"1.120068634","UNCO-05174":"1.190160071","UNCO-05175":"1.085074717","UNCO-05176":"1.227307059","UNCO-05177":"0.795636512","UNCO-05178":"1.392376974","UNCO-05179":"0.346049245","UNCO-05180":"0.874987591","UNCO-05181":"1.400483534","UNCO-05182":"0.457902351"},{"Metabolite":"S-methylcysteine","UNCO-05151":"1.149842093","UNCO-05152":"1.574939845","UNCO-05153":"1.225688962","UNCO-05154":"1.430694977","UNCO-05155":"0.726929656","UNCO-05156":"0.828802918","UNCO-05157":"0.513464358","UNCO-05158":"1","UNCO-05159":"0.999703925","UNCO-05160":"0.998998985","UNCO-05161":"1.461482066","UNCO-05162":"0.920487443","UNCO-05163":"1.680135724","UNCO-05164":"0.766721182","UNCO-05165":"1.034645462","UNCO-05166":"0.983236522","UNCO-05167":"0.970622791","UNCO-05168":"0.898620197","UNCO-05169":"0.990422212","UNCO-05170":"0.850275397","UNCO-05171":"1.363777352","UNCO-05173":"1.130117866","UNCO-05174":"1.431085044","UNCO-05175":"1.571800511","UNCO-05176":"0.762012181","UNCO-05177":"0.908047598","UNCO-05178":"1.558448944","UNCO-05179":"0.571918001","UNCO-05180":"1.282718625","UNCO-05181":"1.581500489","UNCO-05182":"1.739750169"},{"Metabolite":"11-dehydrocorticosterone","UNCO-05151":"0.510499741","UNCO-05152":"0.598309182","UNCO-05153":"0.690569143","UNCO-05154":"0.776833824","UNCO-05155":"1.009704836","UNCO-05156":"1","UNCO-05157":"0.18703801","UNCO-05158":"0.315774686","UNCO-05159":"0.519631961","UNCO-05160":"0.972310512","UNCO-05161":"0.184734504","UNCO-05162":"0.942579523","UNCO-05163":"0.777909109","UNCO-05164":"0.73486687","UNCO-05165":"0.672296404","UNCO-05166":"3.113169341","UNCO-05167":"2.65643387","UNCO-05168":"2.213605976","UNCO-05169":"3.288144475","UNCO-05170":"3.16934263","UNCO-05171":"2.722781468","UNCO-05173":"2.041297124","UNCO-05174":"1.488523374","UNCO-05175":"2.549578718","UNCO-05176":"2.382560934","UNCO-05177":"3.20276065","UNCO-05178":"1.917604923","UNCO-05179":"0.4265931","UNCO-05180":"1.465803672","UNCO-05181":"1.754047732","UNCO-05182":"0.671240087"},{"Metabolite":"cis-4-decenoate (10:1n6)*","UNCO-05151":"0.934621635","UNCO-05152":"1.124729847","UNCO-05153":"1.148184291","UNCO-05154":"1.128072662","UNCO-05155":"0.644627241","UNCO-05156":"0.940552253","UNCO-05157":"0.458143086","UNCO-05158":"1.081426142","UNCO-05159":"1.672787296","UNCO-05160":"1.652065996","UNCO-05161":"0.89545162","UNCO-05162":"0.585536238","UNCO-05163":"1.093578058","UNCO-05164":"4.792885146","UNCO-05165":"2.640263273","UNCO-05166":"0.950760014","UNCO-05167":"0.633296401","UNCO-05168":"0.501354303","UNCO-05169":"1.020477809","UNCO-05170":"1.133650312","UNCO-05171":"1.006385513","UNCO-05173":"0.844086275","UNCO-05174":"1.256545481","UNCO-05175":"0.282049782","UNCO-05176":"1.043003588","UNCO-05177":"1.566736442","UNCO-05178":"0.817774112","UNCO-05179":"0.134373236","UNCO-05180":"0.554722316","UNCO-05181":"1","UNCO-05182":"0.978614289"},{"Metabolite":"1-(1-enyl-palmitoyl)-GPC (P-16:0)*","UNCO-05151":"1.006134638","UNCO-05152":"0.404616143","UNCO-05153":"1.019337072","UNCO-05154":"0.967683183","UNCO-05155":"1.050233274","UNCO-05156":"1.05276863","UNCO-05157":"1.240266243","UNCO-05158":"1.066711636","UNCO-05159":"0.882837904","UNCO-05160":"0.852272823","UNCO-05161":"0.837588922","UNCO-05162":"1.038154643","UNCO-05163":"0.813393144","UNCO-05164":"0.725308836","UNCO-05165":"1.024064041","UNCO-05166":"1.030849916","UNCO-05167":"1","UNCO-05168":"1.063080635","UNCO-05169":"1.170457025","UNCO-05170":"1.242671482","UNCO-05171":"0.928045778","UNCO-05173":"1.006166034","UNCO-05174":"0.982726365","UNCO-05175":"1.11078632","UNCO-05176":"1.348492931","UNCO-05177":"0.824375483","UNCO-05178":"0.991905826","UNCO-05179":"0.188545353","UNCO-05180":"0.914184339","UNCO-05181":"0.913280311","UNCO-05182":"0.708290581"},{"Metabolite":"tauroursodeoxycholate","UNCO-05151":"1.175019328","UNCO-05152":"1","UNCO-05153":"0.958897952","UNCO-05154":"0.916201687","UNCO-05155":"2.751751542","UNCO-05156":"0.70719136","UNCO-05157":"1.411982404","UNCO-05158":"0.689220452","UNCO-05159":"3.793162245","UNCO-05160":"1.514063277","UNCO-05161":"1.290462263","UNCO-05162":"1.414110025","UNCO-05163":"1.800234338","UNCO-05164":"1.456063121","UNCO-05165":"0.713700083","UNCO-05166":"0.661201776","UNCO-05167":"1.095110666","UNCO-05168":"0.903373029","UNCO-05169":"0.792071464","UNCO-05170":"0.677827189","UNCO-05171":"4.933878923","UNCO-05173":"1.192238078","UNCO-05174":"1.115221183","UNCO-05175":"0.381044992","UNCO-05176":"0.438304975","UNCO-05177":"0.425515274","UNCO-05178":"1.156538989","UNCO-05179":"0.661150833","UNCO-05180":"0.947576609","UNCO-05181":"0.584199865","UNCO-05182":"2.479344093"},{"Metabolite":"ursocholate","UNCO-05151":"1.190965878","UNCO-05152":"1.276813249","UNCO-05153":"0.390146155","UNCO-05154":"0.965914882","UNCO-05155":"0.556900328","UNCO-05156":"0.190341709","UNCO-05157":"0.065957215","UNCO-05158":"0.346682195","UNCO-05159":"1.688173854","UNCO-05160":"0.564785155","UNCO-05161":"0.666966056","UNCO-05162":"0.392055782","UNCO-05163":"2.551812139","UNCO-05164":"1.034085118","UNCO-05165":"0.631516091","UNCO-05166":"0.382981837","UNCO-05167":"1.494363061","UNCO-05168":"1.643333676","UNCO-05169":"2.810257141","UNCO-05170":"3.62485836","UNCO-05171":"2.640810179","UNCO-05173":"0.478794455","UNCO-05174":"1.037854592","UNCO-05175":"1.214367601","UNCO-05176":"0.095915609","UNCO-05177":"0.314666125","UNCO-05178":"2.700993027","UNCO-05179":"0.685425923","UNCO-05180":"1.105236089","UNCO-05181":"2.686333961","UNCO-05182":"NA"},{"Metabolite":"(14 or 15)-methylpalmitate (a17:0 or i17:0)","UNCO-05151":"0.832950809","UNCO-05152":"1.117050494","UNCO-05153":"1.45694808","UNCO-05154":"1.425131866","UNCO-05155":"0.574848004","UNCO-05156":"1.2503188","UNCO-05157":"0.57386233","UNCO-05158":"0.797521047","UNCO-05159":"1.074699657","UNCO-05160":"1.477030425","UNCO-05161":"0.873680067","UNCO-05162":"0.613944487","UNCO-05163":"1.735378274","UNCO-05164":"1.936837137","UNCO-05165":"1.719708632","UNCO-05166":"1.026033506","UNCO-05167":"0.865417511","UNCO-05168":"0.802329325","UNCO-05169":"0.801423925","UNCO-05170":"1.596855594","UNCO-05171":"1.293590552","UNCO-05173":"1","UNCO-05174":"0.901728567","UNCO-05175":"0.605740554","UNCO-05176":"0.876410849","UNCO-05177":"1.215075901","UNCO-05178":"0.988029728","UNCO-05179":"0.462636768","UNCO-05180":"0.857886994","UNCO-05181":"1.133804103","UNCO-05182":"1.193541754"},{"Metabolite":"eicosanedioate (C20-DC)","UNCO-05151":"0.835750585","UNCO-05152":"1.301754778","UNCO-05153":"2.071597851","UNCO-05154":"1.864928002","UNCO-05155":"1.34493054","UNCO-05156":"1.561402735","UNCO-05157":"0.623116665","UNCO-05158":"0.735023053","UNCO-05159":"1.331810793","UNCO-05160":"0.842161205","UNCO-05161":"0.974861473","UNCO-05162":"0.599621127","UNCO-05163":"1.033355288","UNCO-05164":"1.310892435","UNCO-05165":"0.752803476","UNCO-05166":"0.525073267","UNCO-05167":"0.499323226","UNCO-05168":"1.451217891","UNCO-05169":"1.436930709","UNCO-05170":"1.598685125","UNCO-05171":"1.296471711","UNCO-05173":"0.612572889","UNCO-05174":"1.071517484","UNCO-05175":"0.737783928","UNCO-05176":"0.993057024","UNCO-05177":"1.510095413","UNCO-05178":"0.921705108","UNCO-05179":"0.402597724","UNCO-05180":"0.899305702","UNCO-05181":"1","UNCO-05182":"1.238234103"},{"Metabolite":"docosadioate (C22-DC)","UNCO-05151":"0.953172233","UNCO-05152":"1","UNCO-05153":"1.114908026","UNCO-05154":"1.146069922","UNCO-05155":"1.452373899","UNCO-05156":"1.336894001","UNCO-05157":"0.651846976","UNCO-05158":"0.702513722","UNCO-05159":"1.334686574","UNCO-05160":"0.848082112","UNCO-05161":"0.877793739","UNCO-05162":"0.80661622","UNCO-05163":"1.12825667","UNCO-05164":"0.978288295","UNCO-05165":"0.888311616","UNCO-05166":"0.619043807","UNCO-05167":"0.416590131","UNCO-05168":"1.376443549","UNCO-05169":"1.295537909","UNCO-05170":"1.305580559","UNCO-05171":"1.257848662","UNCO-05173":"0.957854724","UNCO-05174":"1.208610453","UNCO-05175":"0.598188766","UNCO-05176":"1.535659672","UNCO-05177":"1.396406469","UNCO-05178":"1.201788588","UNCO-05179":"0.441864601","UNCO-05180":"0.946661466","UNCO-05181":"1.477626066","UNCO-05182":"0.96351626"},{"Metabolite":"16-hydroxypalmitate","UNCO-05151":"0.992396353","UNCO-05152":"1.307694103","UNCO-05153":"1.301089799","UNCO-05154":"2.495816827","UNCO-05155":"0.485765969","UNCO-05156":"1","UNCO-05157":"0.440404681","UNCO-05158":"1.00904563","UNCO-05159":"1.247131407","UNCO-05160":"1.702748861","UNCO-05161":"0.828261902","UNCO-05162":"0.509756474","UNCO-05163":"1.452814466","UNCO-05164":"2.358343949","UNCO-05165":"1.581867215","UNCO-05166":"1.156094455","UNCO-05167":"0.516566979","UNCO-05168":"0.726535601","UNCO-05169":"0.948475425","UNCO-05170":"1.519737922","UNCO-05171":"1.810443207","UNCO-05173":"1.011120625","UNCO-05174":"0.915644881","UNCO-05175":"0.458906719","UNCO-05176":"0.758535659","UNCO-05177":"1.282323312","UNCO-05178":"0.813587158","UNCO-05179":"0.559494451","UNCO-05180":"0.646143349","UNCO-05181":"0.689145508","UNCO-05182":"4.465036315"},{"Metabolite":"2-stearoyl-GPI (18:0)*","UNCO-05151":"0.824046647","UNCO-05152":"0.538367394","UNCO-05153":"1.160485491","UNCO-05154":"0.939182477","UNCO-05155":"0.922819232","UNCO-05156":"0.620102632","UNCO-05157":"1.973025626","UNCO-05158":"1.517777035","UNCO-05159":"0.615755754","UNCO-05160":"1.311134329","UNCO-05161":"1.085189017","UNCO-05162":"1.084054106","UNCO-05163":"0.854624219","UNCO-05164":"1.105422364","UNCO-05165":"0.945737584","UNCO-05166":"1.680569987","UNCO-05167":"1.779036889","UNCO-05168":"0.941246987","UNCO-05169":"0.897239829","UNCO-05170":"1.66228709","UNCO-05171":"0.614470282","UNCO-05173":"1.119795237","UNCO-05174":"0.836025372","UNCO-05175":"1.791360079","UNCO-05176":"2.15438777","UNCO-05177":"0.945962284","UNCO-05178":"1.08963627","UNCO-05179":"NA","UNCO-05180":"1.054037716","UNCO-05181":"0.822850143","UNCO-05182":"0.235899448"},{"Metabolite":"alpha-CEHC glucuronide*","UNCO-05151":"2.616488388","UNCO-05152":"0.704766263","UNCO-05153":"1.494173038","UNCO-05154":"0.960303074","UNCO-05155":"0.887178889","UNCO-05156":"0.161620422","UNCO-05157":"0.751627242","UNCO-05158":"0.388429233","UNCO-05159":"1.489799825","UNCO-05160":"1.681266975","UNCO-05161":"5.243090204","UNCO-05162":"0.232692607","UNCO-05163":"0.612967682","UNCO-05164":"0.641713629","UNCO-05165":"0.442286754","UNCO-05166":"1.207422497","UNCO-05167":"3.561296768","UNCO-05168":"2.753718128","UNCO-05169":"3.727155796","UNCO-05170":"3.863410388","UNCO-05171":"1.518782081","UNCO-05173":"1","UNCO-05174":"0.787324862","UNCO-05175":"1.900250667","UNCO-05176":"2.058538832","UNCO-05177":"2.856410855","UNCO-05178":"0.46881319","UNCO-05179":"0.154761477","UNCO-05180":"0.677390311","UNCO-05181":"0.825367625","UNCO-05182":"2.019912775"},{"Metabolite":"N-oleoyltaurine","UNCO-05151":"1.402421562","UNCO-05152":"1.229073916","UNCO-05153":"1.543622862","UNCO-05154":"2.536604975","UNCO-05155":"0.497326362","UNCO-05156":"1.254123188","UNCO-05157":"0.450479957","UNCO-05158":"0.750166071","UNCO-05159":"1.24751003","UNCO-05160":"1.93044142","UNCO-05161":"1.151757276","UNCO-05162":"0.588974625","UNCO-05163":"2.073976517","UNCO-05164":"1.376398958","UNCO-05165":"1.39432586","UNCO-05166":"0.904451811","UNCO-05167":"0.93315795","UNCO-05168":"0.709768952","UNCO-05169":"0.722525648","UNCO-05170":"1.448863236","UNCO-05171":"1.097409068","UNCO-05173":"1.010453694","UNCO-05174":"0.752839709","UNCO-05175":"0.774057243","UNCO-05176":"0.865368964","UNCO-05177":"1","UNCO-05178":"0.953560525","UNCO-05179":"0.187351526","UNCO-05180":"0.872690399","UNCO-05181":"0.868953245","UNCO-05182":"2.187699066"},{"Metabolite":"N-palmitoyltaurine","UNCO-05151":"1.217935809","UNCO-05152":"1.421585957","UNCO-05153":"1.718900436","UNCO-05154":"2.566963465","UNCO-05155":"0.701956079","UNCO-05156":"1.384325643","UNCO-05157":"0.503862181","UNCO-05158":"0.879722996","UNCO-05159":"1.580624417","UNCO-05160":"1.391559425","UNCO-05161":"1","UNCO-05162":"0.607558631","UNCO-05163":"1.93354549","UNCO-05164":"NA","UNCO-05165":"1.061552369","UNCO-05166":"0.574070467","UNCO-05167":"0.919294738","UNCO-05168":"0.856678524","UNCO-05169":"NA","UNCO-05170":"1.140572749","UNCO-05171":"0.819285919","UNCO-05173":"0.763361458","UNCO-05174":"NA","UNCO-05175":"0.988630267","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"1.055408157","UNCO-05179":"NA","UNCO-05180":"0.863192051","UNCO-05181":"0.906377928","UNCO-05182":"2.074287279"},{"Metabolite":"N-stearoyltaurine","UNCO-05151":"1.041781601","UNCO-05152":"0.927801571","UNCO-05153":"1.152992085","UNCO-05154":"1.307982889","UNCO-05155":"0.62792226","UNCO-05156":"1.069549943","UNCO-05157":"0.601074218","UNCO-05158":"0.520462151","UNCO-05159":"0.965407853","UNCO-05160":"1.224717394","UNCO-05161":"0.893209424","UNCO-05162":"0.868021628","UNCO-05163":"1.111355015","UNCO-05164":"0.805591963","UNCO-05165":"1.239769542","UNCO-05166":"0.798353096","UNCO-05167":"1.067448695","UNCO-05168":"0.981568067","UNCO-05169":"0.724861307","UNCO-05170":"1.484118347","UNCO-05171":"0.965019969","UNCO-05173":"1.28104467","UNCO-05174":"0.863684484","UNCO-05175":"1.173306618","UNCO-05176":"1.011542657","UNCO-05177":"0.775038016","UNCO-05178":"1.100585656","UNCO-05179":"0.178230529","UNCO-05180":"1.125742571","UNCO-05181":"1","UNCO-05182":"1.037651988"},{"Metabolite":"beta-citrylglutamate","UNCO-05151":"0.30171707","UNCO-05152":"0.50017981","UNCO-05153":"0.71762094","UNCO-05154":"0.884935724","UNCO-05155":"0.889414202","UNCO-05156":"0.83456004","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.886345437","UNCO-05160":"1.319002843","UNCO-05161":"0.49938385","UNCO-05162":"1.059874468","UNCO-05163":"0.576304345","UNCO-05164":"NA","UNCO-05165":"0.743043735","UNCO-05166":"1.183094945","UNCO-05167":"3.131319137","UNCO-05168":"2.281866","UNCO-05169":"NA","UNCO-05170":"2.417601281","UNCO-05171":"1.6235777","UNCO-05173":"0.961127387","UNCO-05174":"0.825814062","UNCO-05175":"1.294308881","UNCO-05176":"1.301606786","UNCO-05177":"0.742132695","UNCO-05178":"1.581363011","UNCO-05179":"1.038872613","UNCO-05180":"1.234726904","UNCO-05181":"1.890435525","UNCO-05182":"NA"},{"Metabolite":"equol sulfate","UNCO-05151":"0.786844397","UNCO-05152":"0.280252285","UNCO-05153":"0.347971968","UNCO-05154":"0.088072668","UNCO-05155":"1.7112445","UNCO-05156":"0.544771467","UNCO-05157":"0.827220853","UNCO-05158":"1.550927195","UNCO-05159":"0.186284789","UNCO-05160":"0.299759017","UNCO-05161":"0.236347514","UNCO-05162":"2.943205909","UNCO-05163":"0.881027656","UNCO-05164":"1.23966634","UNCO-05165":"1.631260118","UNCO-05166":"0.536626306","UNCO-05167":"0.96912016","UNCO-05168":"3.846565661","UNCO-05169":"2.181763275","UNCO-05170":"1.814481312","UNCO-05171":"9.464062072","UNCO-05173":"1.114424517","UNCO-05174":"1.10058167","UNCO-05175":"1","UNCO-05176":"0.424054397","UNCO-05177":"0.711371003","UNCO-05178":"5.958124334","UNCO-05179":"3.034568055","UNCO-05180":"4.295016883","UNCO-05181":"12.73034238","UNCO-05182":"0.625892351"},{"Metabolite":"dihydroferulate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.58197464","UNCO-05158":"NA","UNCO-05159":"1.468223213","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"1.920781993","UNCO-05168":"0.68506811","UNCO-05169":"1.680445566","UNCO-05170":"5.439377108","UNCO-05171":"NA","UNCO-05173":"0.225153189","UNCO-05174":"NA","UNCO-05175":"0.43291681","UNCO-05176":"0.468509882","UNCO-05177":"NA","UNCO-05178":"1","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.652167681"},{"Metabolite":"N-palmitoylglycine","UNCO-05151":"0.723764338","UNCO-05152":"1.944084364","UNCO-05153":"1.013055658","UNCO-05154":"2.689158856","UNCO-05155":"0.87078352","UNCO-05156":"2.353108386","UNCO-05157":"0.298001964","UNCO-05158":"1.288391907","UNCO-05159":"1.582273066","UNCO-05160":"2.080844056","UNCO-05161":"1.09022475","UNCO-05162":"0.818470689","UNCO-05163":"2.458819012","UNCO-05164":"3.372663524","UNCO-05165":"3.854377614","UNCO-05166":"0.673258064","UNCO-05167":"0.762902964","UNCO-05168":"0.975978723","UNCO-05169":"1.200460788","UNCO-05170":"1.193873685","UNCO-05171":"1.981594254","UNCO-05173":"0.564542524","UNCO-05174":"0.819488649","UNCO-05175":"0.512850777","UNCO-05176":"0.406702042","UNCO-05177":"0.798583103","UNCO-05178":"1","UNCO-05179":"0.298030312","UNCO-05180":"0.841780682","UNCO-05181":"0.849944979","UNCO-05182":"3.275993413"},{"Metabolite":"glycohyodeoxycholate","UNCO-05151":"NA","UNCO-05152":"0.086272786","UNCO-05153":"0.713774394","UNCO-05154":"0.47435771","UNCO-05155":"0.271963328","UNCO-05156":"12.04799271","UNCO-05157":"0.329766245","UNCO-05158":"0.669231182","UNCO-05159":"3.232536993","UNCO-05160":"0.339607549","UNCO-05161":"0.837354707","UNCO-05162":"0.260464293","UNCO-05163":"0.323715419","UNCO-05164":"9.987548788","UNCO-05165":"7.950282007","UNCO-05166":"3.006612696","UNCO-05167":"0.526677032","UNCO-05168":"0.393730431","UNCO-05169":"5.456568733","UNCO-05170":"1.927074845","UNCO-05171":"8.268303667","UNCO-05173":"1.162645293","UNCO-05174":"7.482337551","UNCO-05175":"1.38748338","UNCO-05176":"0.131385374","UNCO-05177":"0.085511473","UNCO-05178":"2.201570877","UNCO-05179":"2.139663307","UNCO-05180":"0.595852456","UNCO-05181":"7.381054042","UNCO-05182":"14.1967671"},{"Metabolite":"taurohyodeoxycholic acid","UNCO-05151":"0.14233437","UNCO-05152":"0.681451464","UNCO-05153":"2.255192047","UNCO-05154":"2.111378343","UNCO-05155":"2.630633737","UNCO-05156":"1.457823476","UNCO-05157":"3.91757114","UNCO-05158":"0.263958557","UNCO-05159":"6.13299789","UNCO-05160":"1.324514188","UNCO-05161":"2.507274714","UNCO-05162":"0.114680238","UNCO-05163":"0.239688675","UNCO-05164":"1.902917594","UNCO-05165":"0.997587144","UNCO-05166":"1.152685963","UNCO-05167":"1.50272809","UNCO-05168":"0.052470208","UNCO-05169":"0.407773315","UNCO-05170":"0.199410069","UNCO-05171":"0.544609801","UNCO-05173":"2.912960472","UNCO-05174":"0.64899645","UNCO-05175":"0.86256622","UNCO-05176":"1.688010864","UNCO-05177":"0.922472402","UNCO-05178":"0.401298573","UNCO-05179":"0.840042392","UNCO-05180":"1.370976655","UNCO-05181":"1","UNCO-05182":"3.233038771"},{"Metabolite":"equol glucuronide","UNCO-05151":"2.527422221","UNCO-05152":"0.763038056","UNCO-05153":"1.081864411","UNCO-05154":"0.481611918","UNCO-05155":"1.293417249","UNCO-05156":"0.141819464","UNCO-05157":"1.4018756","UNCO-05158":"0.559013644","UNCO-05159":"0.903078817","UNCO-05160":"1.006214707","UNCO-05161":"1.699914977","UNCO-05162":"0.971598727","UNCO-05163":"0.531917316","UNCO-05164":"0.484640136","UNCO-05165":"0.341784539","UNCO-05166":"0.869695301","UNCO-05167":"1.762837745","UNCO-05168":"2.297278165","UNCO-05169":"2.511468726","UNCO-05170":"2.425003236","UNCO-05171":"1.295714157","UNCO-05173":"0.894142347","UNCO-05174":"0.830256742","UNCO-05175":"1","UNCO-05176":"1.165079686","UNCO-05177":"1.467436867","UNCO-05178":"0.929445666","UNCO-05179":"0.417182641","UNCO-05180":"1.356884166","UNCO-05181":"1.195756042","UNCO-05182":"0.628004945"},{"Metabolite":"2-stearoyl-GPE (18:0)*","UNCO-05151":"1.434439232","UNCO-05152":"0.670154999","UNCO-05153":"1.281684621","UNCO-05154":"1.091130146","UNCO-05155":"0.994251862","UNCO-05156":"0.934471846","UNCO-05157":"1.064321218","UNCO-05158":"0.962184917","UNCO-05159":"1.433881823","UNCO-05160":"1.217444994","UNCO-05161":"1.056295499","UNCO-05162":"1.070956335","UNCO-05163":"0.805680416","UNCO-05164":"0.782283683","UNCO-05165":"1.045318411","UNCO-05166":"1","UNCO-05167":"1.679609427","UNCO-05168":"1.206010856","UNCO-05169":"1.163349833","UNCO-05170":"1.577330084","UNCO-05171":"0.677868313","UNCO-05173":"0.99928124","UNCO-05174":"0.910666697","UNCO-05175":"1.314984249","UNCO-05176":"1.363633264","UNCO-05177":"0.891975837","UNCO-05178":"0.961598557","UNCO-05179":"0.216491071","UNCO-05180":"0.91139919","UNCO-05181":"0.843404524","UNCO-05182":"0.577915528"},{"Metabolite":"tauro-alpha-muricholate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.625334078","UNCO-05154":"NA","UNCO-05155":"1.753282814","UNCO-05156":"0.359100884","UNCO-05157":"NA","UNCO-05158":"0.837079534","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"0.586839932","UNCO-05162":"1.41767319","UNCO-05163":"NA","UNCO-05164":"1.428854056","UNCO-05165":"0.380613986","UNCO-05166":"1.813110696","UNCO-05167":"3.9971257","UNCO-05168":"1.343373904","UNCO-05169":"1.555021195","UNCO-05170":"1","UNCO-05171":"2.221072118","UNCO-05173":"0.807230243","UNCO-05174":"0.704263703","UNCO-05175":"1.976274307","UNCO-05176":"1.754636902","UNCO-05177":"1.097279278","UNCO-05178":"0.359235061","UNCO-05179":"0.362569281","UNCO-05180":"0.407522412","UNCO-05181":"0.176785111","UNCO-05182":"NA"},{"Metabolite":"taurohyocholate*","UNCO-05151":"1","UNCO-05152":"NA","UNCO-05153":"0.465312712","UNCO-05154":"0.985874281","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"6.212087579","UNCO-05160":"0.692448506","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.63803566","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.776381221","UNCO-05167":"3.962538017","UNCO-05168":"0.979373568","UNCO-05169":"2.752007149","UNCO-05170":"1.141458985","UNCO-05171":"2.230278046","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"3.065165689","UNCO-05176":"0.49277138","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"3.218617121"},{"Metabolite":"2-hydroxydecanoate","UNCO-05151":"1.348992107","UNCO-05152":"0.904768913","UNCO-05153":"0.702411151","UNCO-05154":"2.28485347","UNCO-05155":"1.074395048","UNCO-05156":"0.807722609","UNCO-05157":"NA","UNCO-05158":"1.091017705","UNCO-05159":"2.50005916","UNCO-05160":"0.833914838","UNCO-05161":"1.455850396","UNCO-05162":"0.920508492","UNCO-05163":"0.669927709","UNCO-05164":"1.409006825","UNCO-05165":"0.920895199","UNCO-05166":"0.947549168","UNCO-05167":"NA","UNCO-05168":"0.962630766","UNCO-05169":"NA","UNCO-05170":"2.711715222","UNCO-05171":"1.40586699","UNCO-05173":"0.695311891","UNCO-05174":"0.834399665","UNCO-05175":"1.035152879","UNCO-05176":"0.964847121","UNCO-05177":"1.41526918","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.864049175","UNCO-05181":"1.168145679","UNCO-05182":"2.081577998"},{"Metabolite":"4-methylcatechol sulfate","UNCO-05151":"0.44810247","UNCO-05152":"0.218468733","UNCO-05153":"0.357574685","UNCO-05154":"0.361456652","UNCO-05155":"1.458685644","UNCO-05156":"0.404129457","UNCO-05157":"1.56884859","UNCO-05158":"0.543678706","UNCO-05159":"1.020278622","UNCO-05160":"0.991564898","UNCO-05161":"0.523054606","UNCO-05162":"1.068630899","UNCO-05163":"0.334320482","UNCO-05164":"0.633944414","UNCO-05165":"0.36940831","UNCO-05166":"1.354340702","UNCO-05167":"3.352700103","UNCO-05168":"1.338288395","UNCO-05169":"0.829860361","UNCO-05170":"1.064703697","UNCO-05171":"1","UNCO-05173":"1.123612008","UNCO-05174":"0.411404859","UNCO-05175":"1.102670701","UNCO-05176":"1.353069047","UNCO-05177":"2.221915601","UNCO-05178":"1.068066316","UNCO-05179":"0.643473624","UNCO-05180":"1.085470851","UNCO-05181":"2.518379904","UNCO-05182":"0.733815382"},{"Metabolite":"guaiacol sulfate","UNCO-05151":"0.971854702","UNCO-05152":"0.806014392","UNCO-05153":"1.130042503","UNCO-05154":"1.128141178","UNCO-05155":"1.398243948","UNCO-05156":"0.695211308","UNCO-05157":"0.680857221","UNCO-05158":"0.767936542","UNCO-05159":"1.219417203","UNCO-05160":"1.433295386","UNCO-05161":"1.144340049","UNCO-05162":"0.895075316","UNCO-05163":"0.389116972","UNCO-05164":"1.449350772","UNCO-05165":"0.877852838","UNCO-05166":"1","UNCO-05167":"1.054342064","UNCO-05168":"1.332548071","UNCO-05169":"0.83506208","UNCO-05170":"1.32830256","UNCO-05171":"1.106176588","UNCO-05173":"0.665638082","UNCO-05174":"0.807407915","UNCO-05175":"0.721141771","UNCO-05176":"1.495912844","UNCO-05177":"1.167613618","UNCO-05178":"0.871620123","UNCO-05179":"0.27267192","UNCO-05180":"0.786742702","UNCO-05181":"2.477518073","UNCO-05182":"1.221092631"},{"Metabolite":"gamma-CEHC glucuronide*","UNCO-05151":"1.02291451","UNCO-05152":"NA","UNCO-05153":"0.603732116","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.501566865","UNCO-05160":"0.501595224","UNCO-05161":"1.186861024","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.864512287","UNCO-05167":"1.761623867","UNCO-05168":"3.071508586","UNCO-05169":"3.425761808","UNCO-05170":"3.568452845","UNCO-05171":"0.564907902","UNCO-05173":"0.467960807","UNCO-05174":"0.917048339","UNCO-05175":"1.202047559","UNCO-05176":"1.239226919","UNCO-05177":"1.521560342","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"1","UNCO-05181":"0.73790111","UNCO-05182":"0.618280561"},{"Metabolite":"2,8-quinolinediol sulfate","UNCO-05151":"1.20119496","UNCO-05152":"0.718042263","UNCO-05153":"0.398659755","UNCO-05154":"0.533656011","UNCO-05155":"1.821398653","UNCO-05156":"0.827098792","UNCO-05157":"1.288396143","UNCO-05158":"1.416842236","UNCO-05159":"1.233703319","UNCO-05160":"1.829445713","UNCO-05161":"0.755150701","UNCO-05162":"2.374025135","UNCO-05163":"0.587422095","UNCO-05164":"1.711293207","UNCO-05165":"NA","UNCO-05166":"0.951130912","UNCO-05167":"0.768242504","UNCO-05168":"2.709411788","UNCO-05169":"0.645687391","UNCO-05170":"1.379496549","UNCO-05171":"0.981454305","UNCO-05173":"0.819893233","UNCO-05174":"0.540906084","UNCO-05175":"0.895660043","UNCO-05176":"1.418535182","UNCO-05177":"1","UNCO-05178":"1.046744736","UNCO-05179":"0.237352506","UNCO-05180":"1.508416667","UNCO-05181":"3.657687658","UNCO-05182":"NA"},{"Metabolite":"2-aminophenol sulfate","UNCO-05151":"1.01715488","UNCO-05152":"0.600936688","UNCO-05153":"0.307431259","UNCO-05154":"0.676282033","UNCO-05155":"1.16268795","UNCO-05156":"0.502140035","UNCO-05157":"1.457852605","UNCO-05158":"0.657993518","UNCO-05159":"1.066282893","UNCO-05160":"0.985001969","UNCO-05161":"0.750968246","UNCO-05162":"0.997817607","UNCO-05163":"0.374454442","UNCO-05164":"0.988112675","UNCO-05165":"0.461188357","UNCO-05166":"1","UNCO-05167":"1.890715445","UNCO-05168":"1.883270023","UNCO-05169":"0.840779402","UNCO-05170":"1.713685038","UNCO-05171":"1.26796679","UNCO-05173":"1.167448021","UNCO-05174":"1.177383657","UNCO-05175":"0.834495099","UNCO-05176":"1.637307911","UNCO-05177":"1.356153802","UNCO-05178":"1.281740165","UNCO-05179":"0.450656318","UNCO-05180":"1.248830959","UNCO-05181":"2.374890791","UNCO-05182":"0.562570125"},{"Metabolite":"1-stearoyl-GPS (18:0)*","UNCO-05151":"0.623760574","UNCO-05152":"0.851743453","UNCO-05153":"2.448631998","UNCO-05154":"0.798026356","UNCO-05155":"0.464944222","UNCO-05156":"6.70843315","UNCO-05157":"0.96785683","UNCO-05158":"1.03214317","UNCO-05159":"1.196850797","UNCO-05160":"NA","UNCO-05161":"0.726799906","UNCO-05162":"1.86740184","UNCO-05163":"2.080558121","UNCO-05164":"2.192017795","UNCO-05165":"3.936784065","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"10.12264366","UNCO-05169":"NA","UNCO-05170":"0.799220788","UNCO-05171":"0.350726298","UNCO-05173":"NA","UNCO-05174":"1.770180985","UNCO-05175":"1.562649051","UNCO-05176":"0.681309022","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"0.758494153","UNCO-05182":"0.435522901"},{"Metabolite":"4-hydroxyphenylacetylglycine","UNCO-05151":"NA","UNCO-05152":"2.079632218","UNCO-05153":"1.799339141","UNCO-05154":"1.934744733","UNCO-05155":"1.884127627","UNCO-05156":"4.324541904","UNCO-05157":"1.556111641","UNCO-05158":"1.017420037","UNCO-05159":"1.610124466","UNCO-05160":"2.558992778","UNCO-05161":"2.935128711","UNCO-05162":"NA","UNCO-05163":"1.76860005","UNCO-05164":"0.976838586","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"0.85219481","UNCO-05168":"0.982579963","UNCO-05169":"1.192383142","UNCO-05170":"1.743952355","UNCO-05171":"0.444389881","UNCO-05173":"0.521154022","UNCO-05174":"0.636263665","UNCO-05175":"0.944041167","UNCO-05176":"0.643431243","UNCO-05177":"0.347690258","UNCO-05178":"0.653022843","UNCO-05179":"0.164739379","UNCO-05180":"0.788700093","UNCO-05181":"0.637318949","UNCO-05182":"NA"},{"Metabolite":"1-arachidonoyl-GPA (20:4)","UNCO-05151":"0.903420558","UNCO-05152":"0.848472928","UNCO-05153":"1","UNCO-05154":"0.906427443","UNCO-05155":"0.827113782","UNCO-05156":"0.309105735","UNCO-05157":"0.406044052","UNCO-05158":"0.660793876","UNCO-05159":"0.692872696","UNCO-05160":"1.095842474","UNCO-05161":"0.923122942","UNCO-05162":"0.817205981","UNCO-05163":"1.078100287","UNCO-05164":"0.774235134","UNCO-05165":"0.52963039","UNCO-05166":"0.967278212","UNCO-05167":"1.490094539","UNCO-05168":"1.484413526","UNCO-05169":"1.094715708","UNCO-05170":"1.212030053","UNCO-05171":"1.052066406","UNCO-05173":"1.256391802","UNCO-05174":"1.365089827","UNCO-05175":"1.541880178","UNCO-05176":"1.417040305","UNCO-05177":"1.675031212","UNCO-05178":"1.211173337","UNCO-05179":"0.25483175","UNCO-05180":"1.133872972","UNCO-05181":"1.273178837","UNCO-05182":"0.904755528"},{"Metabolite":"6-oxopiperidine-2-carboxylate","UNCO-05151":"0.798875881","UNCO-05152":"1.028244002","UNCO-05153":"NA","UNCO-05154":"1.044176221","UNCO-05155":"1.595072409","UNCO-05156":"0.620536331","UNCO-05157":"1.510844039","UNCO-05158":"NA","UNCO-05159":"1.039721186","UNCO-05160":"0.68570705","UNCO-05161":"0.746503315","UNCO-05162":"1.066635585","UNCO-05163":"0.793050951","UNCO-05164":"0.556551319","UNCO-05165":"0.737138532","UNCO-05166":"0.921530368","UNCO-05167":"0.670361928","UNCO-05168":"1","UNCO-05169":"0.891220012","UNCO-05170":"1.105807087","UNCO-05171":"1.086755192","UNCO-05173":"1.003827647","UNCO-05174":"1.060327163","UNCO-05175":"1.365868329","UNCO-05176":"1.187215085","UNCO-05177":"0.832547659","UNCO-05178":"0.608759843","UNCO-05179":"0.461959525","UNCO-05180":"0.873112078","UNCO-05181":"1.225793733","UNCO-05182":"1.20668428"},{"Metabolite":"N-delta-acetylornithine","UNCO-05151":"1.356845368","UNCO-05152":"0.8214219","UNCO-05153":"0.544938848","UNCO-05154":"0.773381536","UNCO-05155":"1.050427495","UNCO-05156":"0.836838129","UNCO-05157":"1.543739115","UNCO-05158":"0.723232154","UNCO-05159":"0.695633587","UNCO-05160":"0.763498537","UNCO-05161":"0.939541241","UNCO-05162":"1.020341069","UNCO-05163":"0.858543726","UNCO-05164":"0.783038071","UNCO-05165":"0.799225343","UNCO-05166":"0.962393467","UNCO-05167":"1.043093682","UNCO-05168":"0.752809548","UNCO-05169":"0.893970664","UNCO-05170":"1.084947888","UNCO-05171":"1.053410853","UNCO-05173":"1.478816582","UNCO-05174":"1.254685463","UNCO-05175":"1.076340937","UNCO-05176":"1.124293678","UNCO-05177":"1","UNCO-05178":"1.428851181","UNCO-05179":"0.487679633","UNCO-05180":"1.044710456","UNCO-05181":"1.274042558","UNCO-05182":"1.136368351"},{"Metabolite":"1-eicosapentaenoyl-GPE (20:5)*","UNCO-05151":"1.174635326","UNCO-05152":"0.479484908","UNCO-05153":"0.910841199","UNCO-05154":"0.65156404","UNCO-05155":"1.157605091","UNCO-05156":"0.646965734","UNCO-05157":"2.044023071","UNCO-05158":"0.892821494","UNCO-05159":"2.088828715","UNCO-05160":"0.708079056","UNCO-05161":"0.922102033","UNCO-05162":"1.256137392","UNCO-05163":"0.673473707","UNCO-05164":"0.99985154","UNCO-05165":"0.690965115","UNCO-05166":"1","UNCO-05167":"3.870677293","UNCO-05168":"1.284287898","UNCO-05169":"0.536243935","UNCO-05170":"2.647340042","UNCO-05171":"0.939069094","UNCO-05173":"1.338009028","UNCO-05174":"1.428406837","UNCO-05175":"0.80258399","UNCO-05176":"1.490781278","UNCO-05177":"1.20777503","UNCO-05178":"1.298926983","UNCO-05179":"0.247677552","UNCO-05180":"1.980166401","UNCO-05181":"1.152218684","UNCO-05182":"0.530766716"},{"Metabolite":"S-(3-hydroxypropyl)mercapturic acid (HPMA)","UNCO-05151":"1.264088374","UNCO-05152":"0.886382049","UNCO-05153":"0.7984042","UNCO-05154":"0.946102136","UNCO-05155":"1.176729834","UNCO-05156":"2.179059443","UNCO-05157":"1.130699351","UNCO-05158":"NA","UNCO-05159":"1.6531871","UNCO-05160":"1.229601518","UNCO-05161":"1.256829499","UNCO-05162":"0.961865704","UNCO-05163":"0.48712954","UNCO-05164":"0.724908094","UNCO-05165":"0.739382636","UNCO-05166":"0.971054517","UNCO-05167":"1.028945483","UNCO-05168":"1.596376324","UNCO-05169":"1.524392483","UNCO-05170":"1.569105135","UNCO-05171":"1.136532375","UNCO-05173":"0.876393895","UNCO-05174":"0.723597464","UNCO-05175":"1.147960782","UNCO-05176":"0.958675543","UNCO-05177":"0.963788441","UNCO-05178":"0.76953433","UNCO-05179":"0.213200638","UNCO-05180":"0.867075458","UNCO-05181":"1.290336983","UNCO-05182":"2.1184536"},{"Metabolite":"N2,N5-diacetylornithine","UNCO-05151":"1.386003067","UNCO-05152":"0.980789722","UNCO-05153":"0.751742437","UNCO-05154":"0.748087878","UNCO-05155":"2.362021047","UNCO-05156":"2.044047575","UNCO-05157":"1","UNCO-05158":"0.764883038","UNCO-05159":"0.706767389","UNCO-05160":"1.291519422","UNCO-05161":"1.020511902","UNCO-05162":"3.558541444","UNCO-05163":"0.802218557","UNCO-05164":"1.160671996","UNCO-05165":"1.907513583","UNCO-05166":"0.853401348","UNCO-05167":"0.848525266","UNCO-05168":"0.795434305","UNCO-05169":"1.098045984","UNCO-05170":"0.817462835","UNCO-05171":"1.376885905","UNCO-05173":"1.352707851","UNCO-05174":"0.991814","UNCO-05175":"0.907618977","UNCO-05176":"0.893555119","UNCO-05177":"0.873705622","UNCO-05178":"1.541686736","UNCO-05179":"0.271709448","UNCO-05180":"1.077008163","UNCO-05181":"1.551654959","UNCO-05182":"1.695692522"},{"Metabolite":"1-linoleoyl-GPS (18:2)*","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"2.181466576","UNCO-05157":"0.587866013","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.780751957","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"0.715789715","UNCO-05168":"5.929364417","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"0.927486056","UNCO-05174":"NA","UNCO-05175":"2.337871751","UNCO-05176":"1.072513944","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.772752661","UNCO-05181":"2.983924896","UNCO-05182":"NA"},{"Metabolite":"1-dihomo-linolenoyl-GPE (20:3n3 or 6)*","UNCO-05151":"1.540136499","UNCO-05152":"0.562002669","UNCO-05153":"0.736938216","UNCO-05154":"0.548367594","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"1.191889572","UNCO-05158":"NA","UNCO-05159":"2.028828655","UNCO-05160":"0.868586182","UNCO-05161":"1.336144344","UNCO-05162":"0.565689565","UNCO-05163":"0.714224655","UNCO-05164":"0.579133852","UNCO-05165":"0.950677851","UNCO-05166":"0.693317377","UNCO-05167":"3.295138773","UNCO-05168":"1.610504681","UNCO-05169":"0.547580908","UNCO-05170":"2.17648786","UNCO-05171":"0.702643638","UNCO-05173":"1.514020984","UNCO-05174":"1","UNCO-05175":"0.904466521","UNCO-05176":"1.571180265","UNCO-05177":"1.027581106","UNCO-05178":"1.217487236","UNCO-05179":"NA","UNCO-05180":"1.64064035","UNCO-05181":"1.331741377","UNCO-05182":"0.901536578"},{"Metabolite":"1-(1-enyl-oleoyl)-GPE (P-18:1)*","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"1.414770039","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"2.556047767","UNCO-05157":"1.125888634","UNCO-05158":"0.665148207","UNCO-05159":"0.972057206","UNCO-05160":"0.701376483","UNCO-05161":"0.711271846","UNCO-05162":"1.121636286","UNCO-05163":"0.990226147","UNCO-05164":"1.009773853","UNCO-05165":"1.254006104","UNCO-05166":"0.636126208","UNCO-05167":"NA","UNCO-05168":"2.843076767","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"0.71196222","UNCO-05173":"0.808396378","UNCO-05174":"1.206728371","UNCO-05175":"1.218373475","UNCO-05176":"1.038431323","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"0.128863888","UNCO-05180":"0.521434332","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"O-sulfo-tyrosine","UNCO-05151":"0.867382742","UNCO-05152":"1.204506071","UNCO-05153":"1.157603928","UNCO-05154":"1.222789211","UNCO-05155":"0.937139884","UNCO-05156":"1.233518515","UNCO-05157":"0.696699618","UNCO-05158":"1.0366985","UNCO-05159":"1.157482456","UNCO-05160":"1.23354109","UNCO-05161":"0.976848308","UNCO-05162":"0.912882045","UNCO-05163":"1","UNCO-05164":"1.004021474","UNCO-05165":"1.365359643","UNCO-05166":"0.715519169","UNCO-05167":"0.610244922","UNCO-05168":"0.761353864","UNCO-05169":"0.811984013","UNCO-05170":"0.879204219","UNCO-05171":"0.917884969","UNCO-05173":"1.235336295","UNCO-05174":"1.294868294","UNCO-05175":"0.928842168","UNCO-05176":"0.733163774","UNCO-05177":"0.650757426","UNCO-05178":"1.139406787","UNCO-05179":"0.305030013","UNCO-05180":"1.195335478","UNCO-05181":"1.51825519","UNCO-05182":"1.540421131"},{"Metabolite":"ferulic acid 4-sulfate","UNCO-05151":"1.249797313","UNCO-05152":"0.30236533","UNCO-05153":"0.158006804","UNCO-05154":"0.720482345","UNCO-05155":"2.60039932","UNCO-05156":"0.995792876","UNCO-05157":"2.914888042","UNCO-05158":"0.051374823","UNCO-05159":"1.38553011","UNCO-05160":"0.531627673","UNCO-05161":"0.431961189","UNCO-05162":"2.274381798","UNCO-05163":"0.472869958","UNCO-05164":"0.590358898","UNCO-05165":"0.700431554","UNCO-05166":"1.135092123","UNCO-05167":"0.734826281","UNCO-05168":"1.400654075","UNCO-05169":"0.959764406","UNCO-05170":"1.677752395","UNCO-05171":"1.339798252","UNCO-05173":"1.027344861","UNCO-05174":"1.249800875","UNCO-05175":"1.454934417","UNCO-05176":"1.253166307","UNCO-05177":"0.593230356","UNCO-05178":"1","UNCO-05179":"0.505469996","UNCO-05180":"0.634528027","UNCO-05181":"1.507155161","UNCO-05182":"1.002825823"},{"Metabolite":"3-(3-hydroxyphenyl)propionate sulfate","UNCO-05151":"0.269278577","UNCO-05152":"0.346785907","UNCO-05153":"0.40428029","UNCO-05154":"0.278497642","UNCO-05155":"1.352179447","UNCO-05156":"1.638937394","UNCO-05157":"0.991081482","UNCO-05158":"1.847748747","UNCO-05159":"0.909070015","UNCO-05160":"0.995856248","UNCO-05161":"0.459479087","UNCO-05162":"0.650268453","UNCO-05163":"0.782211651","UNCO-05164":"2.313455021","UNCO-05165":"1.219160533","UNCO-05166":"1","UNCO-05167":"2.507335542","UNCO-05168":"0.633384739","UNCO-05169":"0.479354679","UNCO-05170":"1.550852413","UNCO-05171":"1.177886211","UNCO-05173":"2.925604223","UNCO-05174":"2.230031932","UNCO-05175":"1.173863494","UNCO-05176":"0.948925916","UNCO-05177":"0.569431978","UNCO-05178":"1.716992781","UNCO-05179":"0.502757968","UNCO-05180":"1.887729763","UNCO-05181":"3.733388275","UNCO-05182":"1.117178278"},{"Metabolite":"N-acetyltaurine","UNCO-05151":"1.368884842","UNCO-05152":"1.458894741","UNCO-05153":"1.35165154","UNCO-05154":"1.154179293","UNCO-05155":"1.356061694","UNCO-05156":"0.647610915","UNCO-05157":"1.175648185","UNCO-05158":"0.743249881","UNCO-05159":"1.089836849","UNCO-05160":"1.946583189","UNCO-05161":"1.26117992","UNCO-05162":"0.622000892","UNCO-05163":"1.074439852","UNCO-05164":"0.963615479","UNCO-05165":"0.680176225","UNCO-05166":"0.890701347","UNCO-05167":"2.001696503","UNCO-05168":"0.791951243","UNCO-05169":"0.668510024","UNCO-05170":"1.124689604","UNCO-05171":"0.523483537","UNCO-05173":"0.773997778","UNCO-05174":"0.618796049","UNCO-05175":"1.008021552","UNCO-05176":"1.57019217","UNCO-05177":"1.247337359","UNCO-05178":"0.778165358","UNCO-05179":"0.236634651","UNCO-05180":"0.880729383","UNCO-05181":"0.652884056","UNCO-05182":"1"},{"Metabolite":"1-oleoyl-GPG (18:1)*","UNCO-05151":"1.346154216","UNCO-05152":"1.204756655","UNCO-05153":"1.233998","UNCO-05154":"2.222162929","UNCO-05155":"1.188141235","UNCO-05156":"1.246120169","UNCO-05157":"1.708098843","UNCO-05158":"0.550618436","UNCO-05159":"2.898067262","UNCO-05160":"2.188737845","UNCO-05161":"1.342305603","UNCO-05162":"0.893040372","UNCO-05163":"2.12177668","UNCO-05164":"0.770268987","UNCO-05165":"1.29918748","UNCO-05166":"0.510633847","UNCO-05167":"1.078490994","UNCO-05168":"0.921509006","UNCO-05169":"0.746748264","UNCO-05170":"1.208754687","UNCO-05171":"0.688007292","UNCO-05173":"0.861544931","UNCO-05174":"0.608780942","UNCO-05175":"0.864326263","UNCO-05176":"0.824015087","UNCO-05177":"0.331917764","UNCO-05178":"0.769122728","UNCO-05179":"NA","UNCO-05180":"0.808550196","UNCO-05181":"0.704370833","UNCO-05182":"1.613322219"},{"Metabolite":"1-palmitoyl-GPG (16:0)*","UNCO-05151":"1.307635411","UNCO-05152":"1.186962048","UNCO-05153":"1.128725097","UNCO-05154":"2.206815142","UNCO-05155":"0.965888061","UNCO-05156":"1.300791286","UNCO-05157":"1.772839663","UNCO-05158":"0.534596492","UNCO-05159":"2.392469953","UNCO-05160":"1.921254827","UNCO-05161":"1","UNCO-05162":"1.791753841","UNCO-05163":"2.02187584","UNCO-05164":"0.74037611","UNCO-05165":"1.711798039","UNCO-05166":"0.490443283","UNCO-05167":"0.731587734","UNCO-05168":"0.923697216","UNCO-05169":"0.729670655","UNCO-05170":"1.454927498","UNCO-05171":"0.84656722","UNCO-05173":"1.164630336","UNCO-05174":"0.875652486","UNCO-05175":"0.809511733","UNCO-05176":"0.85277735","UNCO-05177":"NA","UNCO-05178":"0.906298587","UNCO-05179":"NA","UNCO-05180":"0.92087443","UNCO-05181":"0.994278952","UNCO-05182":"2.032940558"},{"Metabolite":"N-linoleoyltaurine*","UNCO-05151":"1.335823299","UNCO-05152":"1.189904424","UNCO-05153":"1.096424683","UNCO-05154":"1.919086976","UNCO-05155":"0.682278564","UNCO-05156":"1.004164101","UNCO-05157":"0.572850875","UNCO-05158":"0.921946292","UNCO-05159":"1.109167751","UNCO-05160":"1.564483937","UNCO-05161":"1.075382975","UNCO-05162":"0.751647292","UNCO-05163":"2.265560589","UNCO-05164":"1.540340304","UNCO-05165":"1.561653163","UNCO-05166":"0.620022956","UNCO-05167":"0.788614521","UNCO-05168":"0.810718407","UNCO-05169":"0.773224166","UNCO-05170":"1.371199302","UNCO-05171":"1.298332117","UNCO-05173":"0.66869656","UNCO-05174":"0.671013574","UNCO-05175":"0.593235094","UNCO-05176":"0.850095412","UNCO-05177":"1.034143592","UNCO-05178":"0.993463839","UNCO-05179":"0.198248937","UNCO-05180":"0.859758982","UNCO-05181":"1","UNCO-05182":"2.283070202"},{"Metabolite":"methyl glucopyranoside (alpha + beta)","UNCO-05151":"1.770885468","UNCO-05152":"1.38768451","UNCO-05153":"0.916956806","UNCO-05154":"1.419354985","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"1.45904508","UNCO-05158":"NA","UNCO-05159":"1.754855293","UNCO-05160":"0.676019113","UNCO-05161":"1.355850832","UNCO-05162":"0.735320785","UNCO-05163":"0.71302089","UNCO-05164":"NA","UNCO-05165":"0.861925616","UNCO-05166":"1","UNCO-05167":"0.899820477","UNCO-05168":"0.889584013","UNCO-05169":"0.528932289","UNCO-05170":"1.482491931","UNCO-05171":"NA","UNCO-05173":"0.889488812","UNCO-05174":"0.824357161","UNCO-05175":"1.110715192","UNCO-05176":"1.287704457","UNCO-05177":"0.703165234","UNCO-05178":"1.85310358","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.612877634"},{"Metabolite":"alpha-CEHC sulfate","UNCO-05151":"NA","UNCO-05152":"0.354275579","UNCO-05153":"0.854848175","UNCO-05154":"0.312012967","UNCO-05155":"2.424254652","UNCO-05156":"0.701786299","UNCO-05157":"0.826479494","UNCO-05158":"1.54555178","UNCO-05159":"0.678135771","UNCO-05160":"0.775630949","UNCO-05161":"0.828274498","UNCO-05162":"NA","UNCO-05163":"0.809847531","UNCO-05164":"1.603401843","UNCO-05165":"0.819412595","UNCO-05166":"NA","UNCO-05167":"1.203550417","UNCO-05168":"0.765259237","UNCO-05169":"1.753084097","UNCO-05170":"1.145151825","UNCO-05171":"2.934294439","UNCO-05173":"3.3587314","UNCO-05174":"2.566447228","UNCO-05175":"0.816471596","UNCO-05176":"1.321444459","UNCO-05177":"1.162877437","UNCO-05178":"2.605209883","UNCO-05179":"0.521537438","UNCO-05180":"1.69721255","UNCO-05181":"3.912264228","UNCO-05182":"0.672491838"},{"Metabolite":"3-hydroxycinnamate sulfate","UNCO-05151":"1.24403538","UNCO-05152":"0.900180124","UNCO-05153":"1","UNCO-05154":"0.716114267","UNCO-05155":"1.806800482","UNCO-05156":"1.486488817","UNCO-05157":"0.75384849","UNCO-05158":"2.02885922","UNCO-05159":"2.061521477","UNCO-05160":"2.446256099","UNCO-05161":"1.102181545","UNCO-05162":"0.391217965","UNCO-05163":"1.307356224","UNCO-05164":"1.129650004","UNCO-05165":"1.271968676","UNCO-05166":"0.675636011","UNCO-05167":"2.646300708","UNCO-05168":"1.069506168","UNCO-05169":"0.894543982","UNCO-05170":"2.341474844","UNCO-05171":"0.45054459","UNCO-05173":"0.439171092","UNCO-05174":"0.51364801","UNCO-05175":"1.228808238","UNCO-05176":"0.83202723","UNCO-05177":"0.423977688","UNCO-05178":"0.502160177","UNCO-05179":"0.120193957","UNCO-05180":"0.523786318","UNCO-05181":"0.705145627","UNCO-05182":"2.711872635"},{"Metabolite":"4-hydroxycinnamate sulfate","UNCO-05151":"0.776820383","UNCO-05152":"0.746869159","UNCO-05153":"0.401359649","UNCO-05154":"1.283537027","UNCO-05155":"2.694416988","UNCO-05156":"1.529450074","UNCO-05157":"1.074562822","UNCO-05158":"0.162528907","UNCO-05159":"1.575766814","UNCO-05160":"1","UNCO-05161":"0.399618325","UNCO-05162":"1.809051033","UNCO-05163":"1.767393219","UNCO-05164":"1.161948465","UNCO-05165":"1.278476257","UNCO-05166":"0.845360166","UNCO-05167":"0.510016074","UNCO-05168":"0.928379415","UNCO-05169":"0.721607653","UNCO-05170":"0.901250335","UNCO-05171":"1.125977281","UNCO-05173":"0.869678648","UNCO-05174":"1.381784772","UNCO-05175":"1.068850788","UNCO-05176":"1.038906492","UNCO-05177":"0.630904103","UNCO-05178":"0.858822705","UNCO-05179":"0.442675664","UNCO-05180":"0.646298879","UNCO-05181":"1.955673235","UNCO-05182":"2.006344052"},{"Metabolite":"3-hydroxypyridine sulfate","UNCO-05151":"0.549089969","UNCO-05152":"0.574656061","UNCO-05153":"0.266693989","UNCO-05154":"0.502412467","UNCO-05155":"1.865232538","UNCO-05156":"0.64571205","UNCO-05157":"1.290003633","UNCO-05158":"0.370879479","UNCO-05159":"2.134853622","UNCO-05160":"0.474843749","UNCO-05161":"0.407371529","UNCO-05162":"1.71644436","UNCO-05163":"0.193705232","UNCO-05164":"1.459314077","UNCO-05165":"0.917102898","UNCO-05166":"0.750020958","UNCO-05167":"1.057105133","UNCO-05168":"1.016840693","UNCO-05169":"1.402786445","UNCO-05170":"1.764342067","UNCO-05171":"1.041899142","UNCO-05173":"0.67553023","UNCO-05174":"0.683147198","UNCO-05175":"1.459560912","UNCO-05176":"1.637333619","UNCO-05177":"2.674803696","UNCO-05178":"0.788955747","UNCO-05179":"0.26112855","UNCO-05180":"1","UNCO-05181":"1.391858158","UNCO-05182":"1.143045762"},{"Metabolite":"3-hydroxyindolin-2-one sulfate","UNCO-05151":"1.573888976","UNCO-05152":"0.964207008","UNCO-05153":"1.422721813","UNCO-05154":"3.55461904","UNCO-05155":"0.652253381","UNCO-05156":"2.306767977","UNCO-05157":"0.952342159","UNCO-05158":"1.615233171","UNCO-05159":"3.094130242","UNCO-05160":"0.499169669","UNCO-05161":"0.803399655","UNCO-05162":"0.553444044","UNCO-05163":"2.782009504","UNCO-05164":"1.111373962","UNCO-05165":"1.772029871","UNCO-05166":"0.509509635","UNCO-05167":"0.652639825","UNCO-05168":"0.684986161","UNCO-05169":"0.84206486","UNCO-05170":"1.142545303","UNCO-05171":"0.843610632","UNCO-05173":"0.791968249","UNCO-05174":"1.928492349","UNCO-05175":"1","UNCO-05176":"0.491623583","UNCO-05177":"0.617541386","UNCO-05178":"1.276144968","UNCO-05179":"0.217797274","UNCO-05180":"1.521196929","UNCO-05181":"2.580938952","UNCO-05182":"3.0766463"},{"Metabolite":"maltol sulfate","UNCO-05151":"0.356866446","UNCO-05152":"0.908950763","UNCO-05153":"NA","UNCO-05154":"0.392774369","UNCO-05155":"2.886891091","UNCO-05156":"0.192879241","UNCO-05157":"3.483246815","UNCO-05158":"0.302107913","UNCO-05159":"3.943605474","UNCO-05160":"0.63371087","UNCO-05161":"NA","UNCO-05162":"3.074684075","UNCO-05163":"NA","UNCO-05164":"0.690897174","UNCO-05165":"NA","UNCO-05166":"1.81191862","UNCO-05167":"0.983267789","UNCO-05168":"0.771343925","UNCO-05169":"0.68017933","UNCO-05170":"1.06196319","UNCO-05171":"1.6173929","UNCO-05173":"1","UNCO-05174":"1.340810655","UNCO-05175":"1.999465157","UNCO-05176":"1.731561009","UNCO-05177":"0.521147292","UNCO-05178":"1.632106339","UNCO-05179":"0.422479157","UNCO-05180":"0.863389439","UNCO-05181":"3.238015836","UNCO-05182":"3.702931152"},{"Metabolite":"methyl-4-hydroxybenzoate sulfate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.738100609","UNCO-05156":"0.527440302","UNCO-05157":"0.92372144","UNCO-05158":"0.686136444","UNCO-05159":"1","UNCO-05160":"NA","UNCO-05161":"0.418033579","UNCO-05162":"1.19433792","UNCO-05163":"NA","UNCO-05164":"3.291128227","UNCO-05165":"1.473091425","UNCO-05166":"0.54282814","UNCO-05167":"0.673068867","UNCO-05168":"2.221520415","UNCO-05169":"0.425638877","UNCO-05170":"NA","UNCO-05171":"2.029132158","UNCO-05173":"1.745254745","UNCO-05174":"1.681608714","UNCO-05175":"1.683171667","UNCO-05176":"0.747381651","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"1.177177661","UNCO-05181":"1.760433115","UNCO-05182":"0.475266669"},{"Metabolite":"N-acetylpyrraline","UNCO-05151":"0.60378522","UNCO-05152":"0.729174595","UNCO-05153":"0.535456045","UNCO-05154":"0.820017055","UNCO-05155":"2.88698606","UNCO-05156":"2.877704484","UNCO-05157":"1.067377761","UNCO-05158":"0.101272781","UNCO-05159":"1.516508802","UNCO-05160":"2.005408967","UNCO-05161":"0.413544618","UNCO-05162":"5.070492762","UNCO-05163":"0.863997068","UNCO-05164":"3.339059439","UNCO-05165":"1.093129378","UNCO-05166":"0.559889777","UNCO-05167":"0.389960111","UNCO-05168":"1.38208099","UNCO-05169":"0.591899587","UNCO-05170":"0.739714153","UNCO-05171":"1.367284734","UNCO-05173":"2.456224365","UNCO-05174":"1.466408023","UNCO-05175":"0.325855921","UNCO-05176":"0.747191566","UNCO-05177":"0.388578798","UNCO-05178":"1.727602999","UNCO-05179":"0.412068164","UNCO-05180":"1.347840642","UNCO-05181":"5.746927284","UNCO-05182":"1"},{"Metabolite":"N-acetylhistamine","UNCO-05151":"1.697775498","UNCO-05152":"1","UNCO-05153":"1.558971729","UNCO-05154":"1.401884736","UNCO-05155":"1.024719533","UNCO-05156":"0.808577473","UNCO-05157":"0.839810244","UNCO-05158":"NA","UNCO-05159":"1.193473941","UNCO-05160":"0.851080197","UNCO-05161":"0.825501635","UNCO-05162":"0.390512212","UNCO-05163":"1.361856529","UNCO-05164":"0.799307648","UNCO-05165":"1.070363485","UNCO-05166":"1.011295596","UNCO-05167":"0.810513494","UNCO-05168":"0.508404385","UNCO-05169":"1.702262966","UNCO-05170":"1.561407783","UNCO-05171":"1.121623181","UNCO-05173":"1.387627412","UNCO-05174":"0.871504584","UNCO-05175":"0.566151676","UNCO-05176":"NA","UNCO-05177":"0.636899801","UNCO-05178":"0.83545099","UNCO-05179":"0.396038208","UNCO-05180":"0.853952176","UNCO-05181":"1.392537983","UNCO-05182":"1.815975383"},{"Metabolite":"N2,N6-diacetyllysine","UNCO-05151":"1.372542166","UNCO-05152":"1.423696637","UNCO-05153":"1.056184935","UNCO-05154":"1.351899446","UNCO-05155":"2.36925249","UNCO-05156":"2.739498736","UNCO-05157":"1.037296708","UNCO-05158":"0.705704162","UNCO-05159":"1.255066445","UNCO-05160":"2.383631118","UNCO-05161":"1.226624449","UNCO-05162":"2.892681155","UNCO-05163":"0.938846283","UNCO-05164":"1.627827923","UNCO-05165":"1.657955877","UNCO-05166":"0.527568175","UNCO-05167":"0.532927607","UNCO-05168":"0.50528747","UNCO-05169":"0.673650376","UNCO-05170":"0.386345101","UNCO-05171":"0.652891146","UNCO-05173":"1","UNCO-05174":"0.879693786","UNCO-05175":"0.573438603","UNCO-05176":"0.64646257","UNCO-05177":"0.611585144","UNCO-05178":"0.924611578","UNCO-05179":"0.245026078","UNCO-05180":"1.070501881","UNCO-05181":"0.792887445","UNCO-05182":"1.535812927"},{"Metabolite":"vanillactate","UNCO-05151":"2.298941917","UNCO-05152":"3.259210893","UNCO-05153":"2.239452581","UNCO-05154":"2.642960962","UNCO-05155":"1.14172746","UNCO-05156":"0.888299827","UNCO-05157":"1.114117057","UNCO-05158":"0.395817787","UNCO-05159":"1.393306232","UNCO-05160":"2.367728462","UNCO-05161":"1.991724676","UNCO-05162":"0.803747842","UNCO-05163":"1.565793284","UNCO-05164":"0.963652058","UNCO-05165":"0.644152698","UNCO-05166":"1.288614468","UNCO-05167":"0.978156151","UNCO-05168":"0.766709361","UNCO-05169":"1.188812162","UNCO-05170":"1.077947319","UNCO-05171":"1.43921312","UNCO-05173":"0.310979005","UNCO-05174":"0.323909896","UNCO-05175":"0.750055689","UNCO-05176":"1","UNCO-05177":"0.973870914","UNCO-05178":"0.321623879","UNCO-05179":"0.128907947","UNCO-05180":"0.268527594","UNCO-05181":"0.399423623","UNCO-05182":"3.715244751"},{"Metabolite":"pregnanolone/allopregnanolone sulfate","UNCO-05151":"NA","UNCO-05152":"0.957900302","UNCO-05153":"3.257581217","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"4.319944907","UNCO-05160":"0.85598058","UNCO-05161":"0.364318022","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.48152345","UNCO-05167":"1.056183504","UNCO-05168":"0.642853079","UNCO-05169":"2.203180413","UNCO-05170":"1.100027973","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.485596162","UNCO-05176":"0.555647746","UNCO-05177":"1.281363197","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.042099698"},{"Metabolite":"2-acetamidophenol sulfate","UNCO-05151":"0.772689443","UNCO-05152":"0.131142167","UNCO-05153":"0.298325574","UNCO-05154":"0.747355494","UNCO-05155":"1.368021253","UNCO-05156":"0.140350877","UNCO-05157":"1.711967259","UNCO-05158":"0.407252892","UNCO-05159":"1.752323001","UNCO-05160":"1.671118432","UNCO-05161":"0.64585045","UNCO-05162":"1.181854709","UNCO-05163":"0.308719023","UNCO-05164":"0.846176553","UNCO-05165":"0.54268224","UNCO-05166":"1.514121244","UNCO-05167":"3.502317836","UNCO-05168":"1.805976733","UNCO-05169":"1.031293624","UNCO-05170":"1.466020724","UNCO-05171":"1.327452286","UNCO-05173":"0.529339605","UNCO-05174":"0.450291287","UNCO-05175":"1.17631549","UNCO-05176":"2.678239524","UNCO-05177":"2.333045478","UNCO-05178":"0.661217402","UNCO-05179":"0.206030573","UNCO-05180":"1","UNCO-05181":"1.30887761","UNCO-05182":"0.915243881"},{"Metabolite":"p-cresol glucuronide*","UNCO-05151":"0.924519262","UNCO-05152":"2.597347053","UNCO-05153":"0.46024616","UNCO-05154":"0.422841653","UNCO-05155":"1.692708115","UNCO-05156":"2.788547314","UNCO-05157":"0.499656112","UNCO-05158":"0.189402024","UNCO-05159":"0.749180165","UNCO-05160":"1","UNCO-05161":"0.838105124","UNCO-05162":"0.564072607","UNCO-05163":"4.009695987","UNCO-05164":"7.217447135","UNCO-05165":"3.701010554","UNCO-05166":"1.470546261","UNCO-05167":"0.940717991","UNCO-05168":"0.482641682","UNCO-05169":"2.044590647","UNCO-05170":"1.624407681","UNCO-05171":"0.337770477","UNCO-05173":"0.724004354","UNCO-05174":"0.738227795","UNCO-05175":"6.241991107","UNCO-05176":"0.890589143","UNCO-05177":"1.992890225","UNCO-05178":"1.360774979","UNCO-05179":"0.331758518","UNCO-05180":"1.793528583","UNCO-05181":"1.916790294","UNCO-05182":"1.176634879"},{"Metabolite":"benzyl alcohol glucuronide","UNCO-05151":"1.709628762","UNCO-05152":"NA","UNCO-05153":"1.020519085","UNCO-05154":"NA","UNCO-05155":"1","UNCO-05156":"0.557680321","UNCO-05157":"NA","UNCO-05158":"1.144655813","UNCO-05159":"NA","UNCO-05160":"0.631541549","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.740906031","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"6-hydroxyindole sulfate","UNCO-05151":"1.680203292","UNCO-05152":"0.453072599","UNCO-05153":"0.798416748","UNCO-05154":"0.853088755","UNCO-05155":"1.115759146","UNCO-05156":"0.705668608","UNCO-05157":"0.503958803","UNCO-05158":"0.688367271","UNCO-05159":"1.908732793","UNCO-05160":"0.581118104","UNCO-05161":"0.400696039","UNCO-05162":"0.87112248","UNCO-05163":"0.708625088","UNCO-05164":"0.867694793","UNCO-05165":"0.823837636","UNCO-05166":"1.729530477","UNCO-05167":"2.189931002","UNCO-05168":"2.809168321","UNCO-05169":"2.55885295","UNCO-05170":"3.198147487","UNCO-05171":"1.27249167","UNCO-05173":"1.071426744","UNCO-05174":"1.147589782","UNCO-05175":"1.912841708","UNCO-05176":"1.478819293","UNCO-05177":"0.588688365","UNCO-05178":"1.805005553","UNCO-05179":"0.284320285","UNCO-05180":"1","UNCO-05181":"2.815652115","UNCO-05182":"0.561363805"},{"Metabolite":"daidzein sulfate (1)","UNCO-05151":"0.288338911","UNCO-05152":"0.364822225","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"1.07295489","UNCO-05156":"0.597680021","UNCO-05157":"1.573586185","UNCO-05158":"NA","UNCO-05159":"0.255261356","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.215372646","UNCO-05164":"0.14383049","UNCO-05165":"0.463668151","UNCO-05166":"0.253145666","UNCO-05167":"0.698941928","UNCO-05168":"2.565621637","UNCO-05169":"1.847629404","UNCO-05170":"1.071972118","UNCO-05171":"2.73702434","UNCO-05173":"0.989123536","UNCO-05174":"1.314912426","UNCO-05175":"0.358070218","UNCO-05176":"0.293521213","UNCO-05177":"NA","UNCO-05178":"4.401152937","UNCO-05179":"1.010876464","UNCO-05180":"1.653641147","UNCO-05181":"11.12530114","UNCO-05182":"1.086022117"},{"Metabolite":"daidzein sulfate (2)","UNCO-05151":"0.377989247","UNCO-05152":"0.446632401","UNCO-05153":"0.031002474","UNCO-05154":"0.065447467","UNCO-05155":"1.55090009","UNCO-05156":"0.630300746","UNCO-05157":"2.459133248","UNCO-05158":"0.181342189","UNCO-05159":"0.341752453","UNCO-05160":"0.129075558","UNCO-05161":"0.184527703","UNCO-05162":"2.433569893","UNCO-05163":"0.267150281","UNCO-05164":"0.332996908","UNCO-05165":"0.532466729","UNCO-05166":"1","UNCO-05167":"1.951818934","UNCO-05168":"5.120296722","UNCO-05169":"4.091011625","UNCO-05170":"2.875753979","UNCO-05171":"6.462009821","UNCO-05173":"1.833717992","UNCO-05174":"2.599152903","UNCO-05175":"0.980530591","UNCO-05176":"0.898860802","UNCO-05177":"0.499275168","UNCO-05178":"8.326762949","UNCO-05179":"2.026782251","UNCO-05180":"3.195256291","UNCO-05181":"10.07521175","UNCO-05182":"1.516075749"},{"Metabolite":"3-hydroxyhexanoate","UNCO-05151":"0.651980633","UNCO-05152":"1.949352522","UNCO-05153":"1.45710459","UNCO-05154":"1.594521745","UNCO-05155":"0.465186126","UNCO-05156":"1.05694081","UNCO-05157":"0.160126631","UNCO-05158":"0.423866436","UNCO-05159":"1.94865061","UNCO-05160":"1.523981989","UNCO-05161":"0.751112554","UNCO-05162":"0.420808106","UNCO-05163":"1.056651928","UNCO-05164":"2.48596415","UNCO-05165":"0.9826241","UNCO-05166":"0.757100292","UNCO-05167":"0.919700327","UNCO-05168":"0.710755009","UNCO-05169":"1.138775617","UNCO-05170":"1.141535516","UNCO-05171":"0.928545849","UNCO-05173":"0.738184483","UNCO-05174":"1","UNCO-05175":"0.865452566","UNCO-05176":"0.857156159","UNCO-05177":"1.102457647","UNCO-05178":"1.067469488","UNCO-05179":"0.428123269","UNCO-05180":"1.225239701","UNCO-05181":"1.351765284","UNCO-05182":"1.603522452"},{"Metabolite":"3beta-hydroxy-5-cholestenoate","UNCO-05151":"0.500045684","UNCO-05152":"NA","UNCO-05153":"0.847918507","UNCO-05154":"0.986357472","UNCO-05155":"0.590439302","UNCO-05156":"0.796479995","UNCO-05157":"0.421275536","UNCO-05158":"0.678579171","UNCO-05159":"0.975364622","UNCO-05160":"1.013642528","UNCO-05161":"0.466110455","UNCO-05162":"0.751619994","UNCO-05163":"1.045710979","UNCO-05164":"1.278742917","UNCO-05165":"1.909724623","UNCO-05166":"1.039085888","UNCO-05167":"0.815269599","UNCO-05168":"0.861745563","UNCO-05169":"1.88948746","UNCO-05170":"1.99376188","UNCO-05171":"1.794751165","UNCO-05173":"1.170588035","UNCO-05174":"1.386715062","UNCO-05175":"0.916541409","UNCO-05176":"1.278373861","UNCO-05177":"1.183533657","UNCO-05178":"2.069249939","UNCO-05179":"0.434156662","UNCO-05180":"0.933403323","UNCO-05181":"1.926213898","UNCO-05182":"1.014154907"},{"Metabolite":"1,2,3-benzenetriol sulfate (2)","UNCO-05151":"NA","UNCO-05152":"1.588324045","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.972013049","UNCO-05158":"NA","UNCO-05159":"2.224017942","UNCO-05160":"0.628775316","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"0.966915862","UNCO-05165":"NA","UNCO-05166":"2.149938834","UNCO-05167":"3.73510942","UNCO-05168":"1.043074623","UNCO-05169":"NA","UNCO-05170":"0.474826696","UNCO-05171":"0.524289792","UNCO-05173":"0.863137148","UNCO-05174":"0.416188664","UNCO-05175":"NA","UNCO-05176":"1","UNCO-05177":"NA","UNCO-05178":"0.623311132","UNCO-05179":"2.815780889","UNCO-05180":"NA","UNCO-05181":"1.462892483","UNCO-05182":"4.992619274"},{"Metabolite":"3-methoxycatechol sulfate (2)","UNCO-05151":"NA","UNCO-05152":"1.149079495","UNCO-05153":"NA","UNCO-05154":"0.828828394","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.850920505","UNCO-05158":"NA","UNCO-05159":"1.165908131","UNCO-05160":"1.173489467","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"0.763385043","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"1.67849339","UNCO-05168":"0.689829178","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"0.74458864","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"0.824832498","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"1.617504678","UNCO-05182":"1.356371099"},{"Metabolite":"N-acetylkynurenine (2)","UNCO-05151":"0.107392127","UNCO-05152":"0.210548844","UNCO-05153":"1.27405143","UNCO-05154":"0.166897507","UNCO-05155":"0.207195445","UNCO-05156":"0.097649721","UNCO-05157":"0.120730319","UNCO-05158":"0.087552308","UNCO-05159":"0.158812635","UNCO-05160":"0.25911299","UNCO-05161":"0.188129755","UNCO-05162":"0.902177584","UNCO-05163":"0.289283688","UNCO-05164":"0.212886843","UNCO-05165":"0.131698453","UNCO-05166":"1.660992505","UNCO-05167":"2.483138293","UNCO-05168":"3.010629017","UNCO-05169":"2.290795428","UNCO-05170":"3.147280839","UNCO-05171":"6.79017232","UNCO-05173":"1.748640012","UNCO-05174":"3.325987653","UNCO-05175":"2.483708646","UNCO-05176":"2.110961988","UNCO-05177":"2.423967292","UNCO-05178":"2.510001169","UNCO-05179":"0.786934329","UNCO-05180":"3.330867707","UNCO-05181":"5.830047093","UNCO-05182":"1"},{"Metabolite":"C-glycosyltryptophan","UNCO-05151":"1.556206089","UNCO-05152":"2.146574397","UNCO-05153":"2.159620803","UNCO-05154":"2.341595387","UNCO-05155":"1.164880911","UNCO-05156":"1.391544629","UNCO-05157":"0.915397708","UNCO-05158":"1.021072258","UNCO-05159":"1.758108774","UNCO-05160":"2.341947178","UNCO-05161":"1.913668908","UNCO-05162":"0.825407993","UNCO-05163":"1.847275968","UNCO-05164":"1.15387824","UNCO-05165":"1.398593843","UNCO-05166":"0.845413153","UNCO-05167":"0.635990525","UNCO-05168":"0.762856272","UNCO-05169":"1.047285684","UNCO-05170":"0.912444342","UNCO-05171":"0.99168434","UNCO-05173":"0.787071192","UNCO-05174":"0.734759928","UNCO-05175":"1","UNCO-05176":"0.820603539","UNCO-05177":"0.897893612","UNCO-05178":"0.676687674","UNCO-05179":"0.310386534","UNCO-05180":"0.831386759","UNCO-05181":"0.997098565","UNCO-05182":"2.827017854"},{"Metabolite":"taurodeoxycholic acid 3-sulfate","UNCO-05151":"0.855010281","UNCO-05152":"1.144989719","UNCO-05153":"1.282237483","UNCO-05154":"1.506968005","UNCO-05155":"0.269018615","UNCO-05156":"NA","UNCO-05157":"0.130205845","UNCO-05158":"NA","UNCO-05159":"4.553926749","UNCO-05160":"1.530204868","UNCO-05161":"0.56962446","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"0.171108589","UNCO-05165":"0.114017009","UNCO-05166":"0.579472638","UNCO-05167":"1.159600111","UNCO-05168":"5.771676438","UNCO-05169":"2.488831767","UNCO-05170":"6.119333877","UNCO-05171":"0.534682423","UNCO-05173":"NA","UNCO-05174":"0.099648515","UNCO-05175":"1.786966099","UNCO-05176":"0.39490084","UNCO-05177":"0.478785672","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"2.199546258"},{"Metabolite":"phenol glucuronide","UNCO-05151":"2.248345308","UNCO-05152":"2.597133602","UNCO-05153":"4.649243384","UNCO-05154":"4.320612016","UNCO-05155":"0.210175854","UNCO-05156":"0.404016879","UNCO-05157":"0.10179405","UNCO-05158":"0.284992127","UNCO-05159":"2.239715701","UNCO-05160":"0.106253414","UNCO-05161":"0.362205902","UNCO-05162":"0.111466593","UNCO-05163":"2.222964699","UNCO-05164":"1.253691543","UNCO-05165":"1.413853991","UNCO-05166":"0.830667219","UNCO-05167":"0.151904996","UNCO-05168":"2.166644657","UNCO-05169":"3.748128218","UNCO-05170":"4.448403933","UNCO-05171":"1","UNCO-05173":"0.137729071","UNCO-05174":"0.641184015","UNCO-05175":"2.526421544","UNCO-05176":"1.943193255","UNCO-05177":"0.620512874","UNCO-05178":"0.58136301","UNCO-05179":"0.220069989","UNCO-05180":"0.566187666","UNCO-05181":"4.157139184","UNCO-05182":"1.718817466"},{"Metabolite":"linoleoyl ethanolamide","UNCO-05151":"1.136330806","UNCO-05152":"1.051394047","UNCO-05153":"1","UNCO-05154":"1.81214507","UNCO-05155":"0.88973591","UNCO-05156":"0.653163777","UNCO-05157":"0.663590463","UNCO-05158":"0.960439523","UNCO-05159":"1.242651514","UNCO-05160":"1.292149178","UNCO-05161":"1.090964794","UNCO-05162":"1.093196639","UNCO-05163":"2.231245828","UNCO-05164":"1.858113543","UNCO-05165":"1.737946497","UNCO-05166":"0.879915108","UNCO-05167":"1.018508566","UNCO-05168":"1.020969757","UNCO-05169":"0.46301881","UNCO-05170":"1.302031595","UNCO-05171":"0.893737484","UNCO-05173":"0.434241019","UNCO-05174":"0.387413353","UNCO-05175":"NA","UNCO-05176":"0.733503346","UNCO-05177":"0.870402382","UNCO-05178":"0.825337601","UNCO-05179":"NA","UNCO-05180":"0.66138258","UNCO-05181":"0.854399507","UNCO-05182":"2.514974241"},{"Metabolite":"indoleacetylglycine","UNCO-05151":"1.908251674","UNCO-05152":"1.630296277","UNCO-05153":"1","UNCO-05154":"0.95027636","UNCO-05155":"1.476790555","UNCO-05156":"2.741358387","UNCO-05157":"1.11718302","UNCO-05158":"2.045346542","UNCO-05159":"4.319860035","UNCO-05160":"2.020026921","UNCO-05161":"3.555514572","UNCO-05162":"1.143133983","UNCO-05163":"1.815399587","UNCO-05164":"1.513301105","UNCO-05165":"1.707735839","UNCO-05166":"0.258941112","UNCO-05167":"0.79137966","UNCO-05168":"0.599449768","UNCO-05169":"0.681825307","UNCO-05170":"1.838421184","UNCO-05171":"0.340052411","UNCO-05173":"0.438993062","UNCO-05174":"0.517248082","UNCO-05175":"0.485016353","UNCO-05176":"0.318866993","UNCO-05177":"0.200789209","UNCO-05178":"0.428866396","UNCO-05179":"0.123985032","UNCO-05180":"0.481135309","UNCO-05181":"0.571451453","UNCO-05182":"1.951904787"},{"Metabolite":"2-methylcitrate/homocitrate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.422238068","UNCO-05154":"0.39167363","UNCO-05155":"1.938189075","UNCO-05156":"1.591264699","UNCO-05157":"0.870901219","UNCO-05158":"0.4136964","UNCO-05159":"1.112974647","UNCO-05160":"1.095223457","UNCO-05161":"NA","UNCO-05162":"2.087104241","UNCO-05163":"0.610044191","UNCO-05164":"1.029888739","UNCO-05165":"0.464000651","UNCO-05166":"0.931407063","UNCO-05167":"0.748418607","UNCO-05168":"1.09506359","UNCO-05169":"0.823491752","UNCO-05170":"1.012181625","UNCO-05171":"NA","UNCO-05173":"0.630359226","UNCO-05174":"1.249146786","UNCO-05175":"1.233495528","UNCO-05176":"1.019652036","UNCO-05177":"NA","UNCO-05178":"0.987818375","UNCO-05179":"NA","UNCO-05180":"0.64920259","UNCO-05181":"1.266936075","UNCO-05182":"NA"},{"Metabolite":"oleate/vaccenate (18:1)","UNCO-05151":"0.841012033","UNCO-05152":"1","UNCO-05153":"1.55635373","UNCO-05154":"2.154804023","UNCO-05155":"0.385581092","UNCO-05156":"0.962345282","UNCO-05157":"0.258014419","UNCO-05158":"0.721504323","UNCO-05159":"1.24458539","UNCO-05160":"1.879457083","UNCO-05161":"0.927410445","UNCO-05162":"0.340993012","UNCO-05163":"1.574025253","UNCO-05164":"2.639718913","UNCO-05165":"1.697245976","UNCO-05166":"1.234341243","UNCO-05167":"0.825875444","UNCO-05168":"0.678727165","UNCO-05169":"0.659310573","UNCO-05170":"1.527808639","UNCO-05171":"1.602731946","UNCO-05173":"1.004340296","UNCO-05174":"1.011363292","UNCO-05175":"0.375294118","UNCO-05176":"1.104294167","UNCO-05177":"1.617146877","UNCO-05178":"0.843853945","UNCO-05179":"0.382601602","UNCO-05180":"0.745416252","UNCO-05181":"0.939430908","UNCO-05182":"1.39095741"},{"Metabolite":"indoxyl glucuronide","UNCO-05151":"1.531866414","UNCO-05152":"0.477271771","UNCO-05153":"0.622935642","UNCO-05154":"0.648732979","UNCO-05155":"NA","UNCO-05156":"0.438428473","UNCO-05157":"0.434520696","UNCO-05158":"NA","UNCO-05159":"1.707686296","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.423242252","UNCO-05163":"0.518435687","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"1.755234917","UNCO-05167":"2.100279556","UNCO-05168":"2.089680464","UNCO-05169":"2.998515045","UNCO-05170":"3.228436589","UNCO-05171":"0.972182643","UNCO-05173":"0.565214777","UNCO-05174":"1.027817357","UNCO-05175":"1.534674001","UNCO-05176":"0.902197373","UNCO-05177":"0.449490486","UNCO-05178":"1.590134367","UNCO-05179":"NA","UNCO-05180":"0.556731896","UNCO-05181":"2.141136862","UNCO-05182":"1.321471729"},{"Metabolite":"3-hydroxystearate","UNCO-05151":"0.984079284","UNCO-05152":"0.926888102","UNCO-05153":"1.137425944","UNCO-05154":"1.566623847","UNCO-05155":"0.710990522","UNCO-05156":"0.916768259","UNCO-05157":"0.780876689","UNCO-05158":"0.641231307","UNCO-05159":"0.847509914","UNCO-05160":"1.060609346","UNCO-05161":"1","UNCO-05162":"1.202648061","UNCO-05163":"1.287677404","UNCO-05164":"1.004434431","UNCO-05165":"1.014889488","UNCO-05166":"0.658796653","UNCO-05167":"0.699803674","UNCO-05168":"0.69216422","UNCO-05169":"0.556882583","UNCO-05170":"1.519572023","UNCO-05171":"1.322486759","UNCO-05173":"1.310457106","UNCO-05174":"0.815683009","UNCO-05175":"2.68593403","UNCO-05176":"1.012294723","UNCO-05177":"0.935663403","UNCO-05178":"0.976686253","UNCO-05179":"0.703094019","UNCO-05180":"1.315749304","UNCO-05181":"1.431937074","UNCO-05182":"1.417163588"},{"Metabolite":"1-palmitoleoylglycerol (16:1)*","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"1.58368464","UNCO-05158":"NA","UNCO-05159":"1","UNCO-05160":"1.066142161","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"0.57505416","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"0.876483376","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"7-hydroxyindole sulfate","UNCO-05151":"0.900660901","UNCO-05152":"NA","UNCO-05153":"0.525212604","UNCO-05154":"NA","UNCO-05155":"0.603519209","UNCO-05156":"0.663180243","UNCO-05157":"0.297819386","UNCO-05158":"0.399401471","UNCO-05159":"1.115093978","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.295612383","UNCO-05163":"0.3491142","UNCO-05164":"0.822816087","UNCO-05165":"0.524696837","UNCO-05166":"1.825161027","UNCO-05167":"2.992851231","UNCO-05168":"2.513535882","UNCO-05169":"2.837683367","UNCO-05170":"3.227135335","UNCO-05171":"1.342978974","UNCO-05173":"1.099339099","UNCO-05174":"1.218679157","UNCO-05175":"2.449364887","UNCO-05176":"1.56473474","UNCO-05177":"0.626398868","UNCO-05178":"1.919168536","UNCO-05179":"0.352874501","UNCO-05180":"0.869193125","UNCO-05181":"3.479771143","UNCO-05182":"NA"},{"Metabolite":"4-ethylphenol glucuronide","UNCO-05151":"1.056180145","UNCO-05152":"1.445370373","UNCO-05153":"0.001857841","UNCO-05154":"0.002439814","UNCO-05155":"1.073485524","UNCO-05156":"0.56196463","UNCO-05157":"1.294037062","UNCO-05158":"0.690825456","UNCO-05159":"1.336762773","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.698921984","UNCO-05163":"0.549628038","UNCO-05164":"0.822684492","UNCO-05165":"0.839960563","UNCO-05166":"0.84016343","UNCO-05167":"1.358596587","UNCO-05168":"1.138891421","UNCO-05169":"1.20954362","UNCO-05170":"1.615252257","UNCO-05171":"0.898078324","UNCO-05173":"0.840472698","UNCO-05174":"1.034304512","UNCO-05175":"0.845694712","UNCO-05176":"1.192760023","UNCO-05177":"1.170285042","UNCO-05178":"0.840734758","UNCO-05179":"0.358071073","UNCO-05180":"1.382482907","UNCO-05181":"1.586820179","UNCO-05182":"1"},{"Metabolite":"1-linoleoyl-GPA (18:2)*","UNCO-05151":"0.924381382","UNCO-05152":"0.496067513","UNCO-05153":"0.800643157","UNCO-05154":"0.678942914","UNCO-05155":"1.01179874","UNCO-05156":"0.292163878","UNCO-05157":"0.77615051","UNCO-05158":"0.665184122","UNCO-05159":"1.107832564","UNCO-05160":"0.743429672","UNCO-05161":"0.756389506","UNCO-05162":"0.885120878","UNCO-05163":"0.820695835","UNCO-05164":"0.812307557","UNCO-05165":"0.407934041","UNCO-05166":"0.991324274","UNCO-05167":"1.75865617","UNCO-05168":"1.592212189","UNCO-05169":"1","UNCO-05170":"1.505541804","UNCO-05171":"1.395402186","UNCO-05173":"1.458502215","UNCO-05174":"1.935977286","UNCO-05175":"1.289964237","UNCO-05176":"1.966839981","UNCO-05177":"1.72644812","UNCO-05178":"1.693308934","UNCO-05179":"0.243732353","UNCO-05180":"1.644075895","UNCO-05181":"1.824141871","UNCO-05182":"1.092044929"},{"Metabolite":"1-linoleoyl-GPG (18:2)*","UNCO-05151":"1.384126292","UNCO-05152":"1.589682399","UNCO-05153":"1.076964058","UNCO-05154":"2.046165019","UNCO-05155":"1.089284447","UNCO-05156":"1.193822649","UNCO-05157":"1.593007911","UNCO-05158":"0.702653057","UNCO-05159":"3.005273349","UNCO-05160":"1.85482812","UNCO-05161":"1.069234629","UNCO-05162":"1.151782916","UNCO-05163":"2.372596647","UNCO-05164":"0.928971039","UNCO-05165":"1.746724474","UNCO-05166":"0.57642937","UNCO-05167":"0.76683621","UNCO-05168":"1","UNCO-05169":"0.689077538","UNCO-05170":"1.273534317","UNCO-05171":"0.732554285","UNCO-05173":"0.992872982","UNCO-05174":"0.886528839","UNCO-05175":"0.595887098","UNCO-05176":"0.90065001","UNCO-05177":"0.406477395","UNCO-05178":"0.910938715","UNCO-05179":"0.13503152","UNCO-05180":"0.738088205","UNCO-05181":"0.977023267","UNCO-05182":"1.823879446"},{"Metabolite":"14-HDoHE/17-HDoHE","UNCO-05151":"2.359911079","UNCO-05152":"0.705478427","UNCO-05153":"2.1435932","UNCO-05154":"1.188007822","UNCO-05155":"0.446273126","UNCO-05156":"2.221387842","UNCO-05157":"0.282676684","UNCO-05158":"1.189933524","UNCO-05159":"1.490171258","UNCO-05160":"0.76368591","UNCO-05161":"1","UNCO-05162":"0.789011109","UNCO-05163":"1.523628244","UNCO-05164":"1.72849544","UNCO-05165":"1.469367886","UNCO-05166":"0.785868022","UNCO-05167":"NA","UNCO-05168":"3.109613082","UNCO-05169":"0.266140019","UNCO-05170":"0.471373289","UNCO-05171":"2.177681148","UNCO-05173":"0.661059117","UNCO-05174":"0.875422383","UNCO-05175":"0.779539261","UNCO-05176":"1.319152519","UNCO-05177":"1.195024193","UNCO-05178":"NA","UNCO-05179":"0.221123737","UNCO-05180":"0.289058187","UNCO-05181":"0.793362205","UNCO-05182":"4.956701184"},{"Metabolite":"catechol glucuronide","UNCO-05151":"1.60338586","UNCO-05152":"1.030373221","UNCO-05153":"1.981548577","UNCO-05154":"1.218609206","UNCO-05155":"1","UNCO-05156":"0.938744677","UNCO-05157":"1.427124368","UNCO-05158":"0.722272617","UNCO-05159":"1.341031024","UNCO-05160":"1.974286495","UNCO-05161":"1.744933593","UNCO-05162":"0.739755963","UNCO-05163":"0.60301248","UNCO-05164":"1.129586038","UNCO-05165":"0.791117481","UNCO-05166":"0.762604383","UNCO-05167":"0.724716145","UNCO-05168":"1.698654102","UNCO-05169":"0.999661248","UNCO-05170":"1.514185788","UNCO-05171":"0.982317919","UNCO-05173":"0.750848949","UNCO-05174":"0.698523118","UNCO-05175":"0.47392102","UNCO-05176":"1.202790259","UNCO-05177":"1.052842239","UNCO-05178":"0.542439177","UNCO-05179":"0.40226527","UNCO-05180":"0.710255215","UNCO-05181":"1.898554434","UNCO-05182":"1.338820858"},{"Metabolite":"hexadecatrienoate (16:3n3)","UNCO-05151":"0.646897331","UNCO-05152":"0.631985381","UNCO-05153":"0.935166675","UNCO-05154":"1.227799349","UNCO-05155":"1.199418948","UNCO-05156":"0.87510428","UNCO-05157":"0.631882024","UNCO-05158":"0.553306119","UNCO-05159":"1","UNCO-05160":"0.989276723","UNCO-05161":"0.753227668","UNCO-05162":"1.375298365","UNCO-05163":"1.181946","UNCO-05164":"2.53625845","UNCO-05165":"1.479631117","UNCO-05166":"1.876553996","UNCO-05167":"0.305900823","UNCO-05168":"0.787831631","UNCO-05169":"0.356125275","UNCO-05170":"1.143356581","UNCO-05171":"2.645781582","UNCO-05173":"1.316380084","UNCO-05174":"1.562323424","UNCO-05175":"0.354905974","UNCO-05176":"2.5681423","UNCO-05177":"1.472231774","UNCO-05178":"0.85286759","UNCO-05179":"0.424826129","UNCO-05180":"0.876366516","UNCO-05181":"2.559740473","UNCO-05182":"1.556689308"},{"Metabolite":"hexadecadienoate (16:2n6)","UNCO-05151":"0.919708782","UNCO-05152":"1.207797138","UNCO-05153":"1.120170122","UNCO-05154":"1.932348067","UNCO-05155":"0.465638879","UNCO-05156":"0.827872666","UNCO-05157":"0.253411917","UNCO-05158":"0.890689533","UNCO-05159":"1.14637062","UNCO-05160":"1.267622898","UNCO-05161":"0.880152149","UNCO-05162":"0.468404906","UNCO-05163":"1.539039896","UNCO-05164":"3.1194846","UNCO-05165":"1.594162104","UNCO-05166":"1.297837802","UNCO-05167":"0.394217066","UNCO-05168":"0.571732567","UNCO-05169":"0.483592943","UNCO-05170":"1.26887065","UNCO-05171":"1.86327491","UNCO-05173":"0.918647638","UNCO-05174":"1","UNCO-05175":"0.281692084","UNCO-05176":"1.055125484","UNCO-05177":"1.780449088","UNCO-05178":"0.791752945","UNCO-05179":"0.317144613","UNCO-05180":"0.739294241","UNCO-05181":"1.022992744","UNCO-05182":"1.904194676"},{"Metabolite":"4-acetamidobenzoate","UNCO-05151":"0.707189789","UNCO-05152":"0.930851551","UNCO-05153":"0.841908888","UNCO-05154":"1","UNCO-05155":"0.865698605","UNCO-05156":"0.836496366","UNCO-05157":"0.318757182","UNCO-05158":"0.668494928","UNCO-05159":"1.529341474","UNCO-05160":"0.759385112","UNCO-05161":"0.687735729","UNCO-05162":"0.553085367","UNCO-05163":"0.690437584","UNCO-05164":"0.977710138","UNCO-05165":"0.817990511","UNCO-05166":"1.100622502","UNCO-05167":"1.845425","UNCO-05168":"1.771012076","UNCO-05169":"1.511207498","UNCO-05170":"2.248004893","UNCO-05171":"1.174265229","UNCO-05173":"0.862339352","UNCO-05174":"1.180340437","UNCO-05175":"1.222101983","UNCO-05176":"1.591376624","UNCO-05177":"1.360788385","UNCO-05178":"1.125774602","UNCO-05179":"0.427506398","UNCO-05180":"1.386171368","UNCO-05181":"2.158674487","UNCO-05182":"1.267495964"},{"Metabolite":"trans-3,4-methyleneheptanoylglycine","UNCO-05151":"0.67880725","UNCO-05152":"NA","UNCO-05153":"1.053440626","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"1.4417613","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.303850493","UNCO-05160":"1.085635858","UNCO-05161":"1","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"1.210483568","UNCO-05166":"0.878145446","UNCO-05167":"0.692479507","UNCO-05168":"1.372580281","UNCO-05169":"0.691516884","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"0.298518463","UNCO-05174":"NA","UNCO-05175":"0.683334587","UNCO-05176":"0.666586448","UNCO-05177":"1.014747687","UNCO-05178":"0.73002933","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"1.461517636"},{"Metabolite":"2,3-dihydroxy-2-methylbutyrate","UNCO-05151":"1.04729611","UNCO-05152":"0.996071354","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.896655898","UNCO-05156":"NA","UNCO-05157":"0.613293331","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"0.780330465","UNCO-05161":"0.760542692","UNCO-05162":"NA","UNCO-05163":"0.45931696","UNCO-05164":"1.050634873","UNCO-05165":"0.712253027","UNCO-05166":"0.969296138","UNCO-05167":"1.90406915","UNCO-05168":"1.200798491","UNCO-05169":"1.003928646","UNCO-05170":"1.247046353","UNCO-05171":"0.758829037","UNCO-05173":"1.281598127","UNCO-05174":"1.163342878","UNCO-05175":"1.182771252","UNCO-05176":"1.474069242","UNCO-05177":"1.140354372","UNCO-05178":"NA","UNCO-05179":"0.314244826","UNCO-05180":"0.875776907","UNCO-05181":"1.350803243","UNCO-05182":"0.885100443"},{"Metabolite":"2''-O-methylcytidine","UNCO-05151":"0.879279311","UNCO-05152":"2.738857534","UNCO-05153":"1.623345178","UNCO-05154":"1.34149712","UNCO-05155":"1.029522598","UNCO-05156":"1.070274758","UNCO-05157":"0.991438475","UNCO-05158":"1.018473035","UNCO-05159":"1.37704385","UNCO-05160":"1.593334843","UNCO-05161":"1.247642605","UNCO-05162":"0.805413299","UNCO-05163":"1.960978145","UNCO-05164":"1.493714581","UNCO-05165":"1.279002926","UNCO-05166":"0.828955314","UNCO-05167":"0.592260661","UNCO-05168":"1.038928953","UNCO-05169":"1.100334448","UNCO-05170":"0.668948579","UNCO-05171":"1","UNCO-05173":"0.918588582","UNCO-05174":"0.715896158","UNCO-05175":"0.494492637","UNCO-05176":"0.64555753","UNCO-05177":"0.959462677","UNCO-05178":"0.731762124","UNCO-05179":"0.24557553","UNCO-05180":"0.793501486","UNCO-05181":"0.894143673","UNCO-05182":"1.951176956"},{"Metabolite":"2''-O-methyluridine","UNCO-05151":"0.912022882","UNCO-05152":"3.258927325","UNCO-05153":"1.690425724","UNCO-05154":"1.365865414","UNCO-05155":"1","UNCO-05156":"1.192131262","UNCO-05157":"0.811776681","UNCO-05158":"1.043982976","UNCO-05159":"1.646217576","UNCO-05160":"1.318880765","UNCO-05161":"1.178045916","UNCO-05162":"0.729257658","UNCO-05163":"2.167410727","UNCO-05164":"1.472628576","UNCO-05165":"1.253878634","UNCO-05166":"0.80803436","UNCO-05167":"0.474403899","UNCO-05168":"1.189153781","UNCO-05169":"0.823898751","UNCO-05170":"0.633903831","UNCO-05171":"1.000774145","UNCO-05173":"1.133175279","UNCO-05174":"0.74244976","UNCO-05175":"0.506523475","UNCO-05176":"0.486003048","UNCO-05177":"0.736509685","UNCO-05178":"0.734667369","UNCO-05179":"0.236322662","UNCO-05180":"0.682728936","UNCO-05181":"0.618242281","UNCO-05182":"2.107332605"},{"Metabolite":"naringenin 7-glucuronide","UNCO-05151":"0.804320405","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"1.604023704","UNCO-05157":"0.702561621","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"1.87571101","UNCO-05164":"17.36408495","UNCO-05165":"5.935614384","UNCO-05166":"0.454483432","UNCO-05167":"NA","UNCO-05168":"1.12896956","UNCO-05169":"1.09591997","UNCO-05170":"1","UNCO-05171":"0.92281818","UNCO-05173":"NA","UNCO-05174":"0.419585412","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"13.4886754","UNCO-05178":"0.774864541","UNCO-05179":"NA","UNCO-05180":"0.627513824","UNCO-05181":"0.532514101","UNCO-05182":"2.716952393"},{"Metabolite":"1-palmityl-GPE (O-16:0)*","UNCO-05151":"1.073472697","UNCO-05152":"0.606211382","UNCO-05153":"1.2776147","UNCO-05154":"0.923355119","UNCO-05155":"0.942665002","UNCO-05156":"3.845624733","UNCO-05157":"1.080740392","UNCO-05158":"0.850637086","UNCO-05159":"1.304596639","UNCO-05160":"0.899670781","UNCO-05161":"1.057589076","UNCO-05162":"1.577989329","UNCO-05163":"1.280218182","UNCO-05164":"1.308580789","UNCO-05165":"1.838712747","UNCO-05166":"0.748673121","UNCO-05167":"1.045957737","UNCO-05168":"1.659613046","UNCO-05169":"0.886988534","UNCO-05170":"1.349596449","UNCO-05171":"0.816360422","UNCO-05173":"0.955262916","UNCO-05174":"1.569913992","UNCO-05175":"1","UNCO-05176":"1.093305871","UNCO-05177":"0.639348481","UNCO-05178":"0.867939216","UNCO-05179":"0.30650276","UNCO-05180":"0.742221718","UNCO-05181":"0.941070261","UNCO-05182":"0.594709784"},{"Metabolite":"2-hydroxybehenate","UNCO-05151":"0.927775447","UNCO-05152":"1.025872449","UNCO-05153":"1.170666066","UNCO-05154":"1.615740409","UNCO-05155":"0.998959644","UNCO-05156":"0.93226262","UNCO-05157":"0.876726393","UNCO-05158":"0.738123744","UNCO-05159":"1.136307897","UNCO-05160":"1.14303951","UNCO-05161":"0.906103647","UNCO-05162":"0.610350173","UNCO-05163":"1.378004666","UNCO-05164":"1.107136157","UNCO-05165":"1.213336847","UNCO-05166":"0.709357913","UNCO-05167":"1.161167279","UNCO-05168":"0.866098564","UNCO-05169":"0.939597979","UNCO-05170":"1.103551194","UNCO-05171":"0.863906143","UNCO-05173":"1.05338559","UNCO-05174":"1.019802571","UNCO-05175":"0.79424581","UNCO-05176":"0.911236352","UNCO-05177":"0.842080848","UNCO-05178":"1.599940649","UNCO-05179":"0.472262586","UNCO-05180":"1.146450511","UNCO-05181":"1","UNCO-05182":"1.340237201"},{"Metabolite":"docosatrienoate (22:3n6)*","UNCO-05151":"1.894163098","UNCO-05152":"1.204051529","UNCO-05153":"1.106085818","UNCO-05154":"1.378242042","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.96901784","UNCO-05160":"1.876320276","UNCO-05161":"NA","UNCO-05162":"0.373396028","UNCO-05163":"1.274065714","UNCO-05164":"NA","UNCO-05165":"0.838305055","UNCO-05166":"0.677624867","UNCO-05167":"1","UNCO-05168":"0.499563545","UNCO-05169":"NA","UNCO-05170":"0.982552034","UNCO-05171":"NA","UNCO-05173":"1.190417087","UNCO-05174":"NA","UNCO-05175":"0.475362803","UNCO-05176":"1.144896206","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"0.979616874"},{"Metabolite":"nisinate (24:6n3)","UNCO-05151":"1.86411777","UNCO-05152":"1.206415039","UNCO-05153":"1.524940809","UNCO-05154":"1.342257523","UNCO-05155":"0.627441927","UNCO-05156":"0.359122196","UNCO-05157":"0.350424432","UNCO-05158":"0.4776311","UNCO-05159":"1.162265386","UNCO-05160":"1.678802595","UNCO-05161":"0.98185716","UNCO-05162":"0.519805584","UNCO-05163":"1.191383736","UNCO-05164":"0.470086713","UNCO-05165":"1.038442216","UNCO-05166":"1.196043968","UNCO-05167":"0.906352948","UNCO-05168":"0.776666934","UNCO-05169":"1","UNCO-05170":"1.612421545","UNCO-05171":"1.166393332","UNCO-05173":"1.524510755","UNCO-05174":"0.773365615","UNCO-05175":"0.547111154","UNCO-05176":"1.688312842","UNCO-05177":"0.913793134","UNCO-05178":"0.986954429","UNCO-05179":"0.168955216","UNCO-05180":"0.417879722","UNCO-05181":"1.15357192","UNCO-05182":"1.446616717"},{"Metabolite":"heneicosapentaenoate (21:5n3)","UNCO-05151":"0.922176114","UNCO-05152":"0.730638408","UNCO-05153":"0.878029049","UNCO-05154":"1.097389007","UNCO-05155":"0.532740413","UNCO-05156":"0.402234658","UNCO-05157":"0.211619968","UNCO-05158":"0.951722893","UNCO-05159":"0.898533729","UNCO-05160":"1.150491521","UNCO-05161":"0.999281989","UNCO-05162":"0.562004398","UNCO-05163":"1.097273999","UNCO-05164":"2.267075417","UNCO-05165":"1.228341205","UNCO-05166":"1.603723104","UNCO-05167":"0.952511602","UNCO-05168":"0.872770197","UNCO-05169":"0.857065126","UNCO-05170":"1.846855421","UNCO-05171":"2.156205481","UNCO-05173":"1.525440959","UNCO-05174":"1.746363369","UNCO-05175":"0.48398811","UNCO-05176":"1.920615434","UNCO-05177":"2.28465232","UNCO-05178":"1.882808964","UNCO-05179":"0.519842991","UNCO-05180":"1.333381975","UNCO-05181":"1.605346605","UNCO-05182":"1"},{"Metabolite":"ethyl alpha-glucopyranoside","UNCO-05151":"1.139973193","UNCO-05152":"1.283059435","UNCO-05153":"NA","UNCO-05154":"1.781434125","UNCO-05155":"0.987076132","UNCO-05156":"0.626901927","UNCO-05157":"4.992582926","UNCO-05158":"NA","UNCO-05159":"1.926914112","UNCO-05160":"0.925102098","UNCO-05161":"0.9841321","UNCO-05162":"1","UNCO-05163":"0.676596715","UNCO-05164":"0.704000975","UNCO-05165":"0.36619984","UNCO-05166":"0.422584538","UNCO-05167":"1.025796638","UNCO-05168":"0.819620067","UNCO-05169":"1.848643741","UNCO-05170":"2.248049431","UNCO-05171":"0.993742458","UNCO-05173":"1.087232178","UNCO-05174":"1.036570458","UNCO-05175":"0.810284852","UNCO-05176":"1.316756612","UNCO-05177":"0.859055944","UNCO-05178":"1.310801728","UNCO-05179":"0.227885367","UNCO-05180":"0.478395365","UNCO-05181":"1.249472315","UNCO-05182":"2.218357552"},{"Metabolite":"isohyodeoxycholate","UNCO-05151":"NA","UNCO-05152":"0.614545817","UNCO-05153":"1.430457962","UNCO-05154":"2.013068398","UNCO-05155":"0.990368668","UNCO-05156":"1.305114331","UNCO-05157":"0.975108379","UNCO-05158":"0.210168563","UNCO-05159":"1.025116657","UNCO-05160":"1.214015589","UNCO-05161":"1.547210116","UNCO-05162":"0.097036699","UNCO-05163":"0.23614695","UNCO-05164":"0.402339014","UNCO-05165":"2.121502383","UNCO-05166":"1.621934268","UNCO-05167":"0.775091587","UNCO-05168":"0.117461935","UNCO-05169":"0.661912812","UNCO-05170":"1.062580713","UNCO-05171":"0.424908549","UNCO-05173":"2.780331999","UNCO-05174":"0.813123332","UNCO-05175":"1.63274143","UNCO-05176":"0.534748499","UNCO-05177":"1.009631332","UNCO-05178":"0.735911547","UNCO-05179":"0.791379154","UNCO-05180":"2.396507797","UNCO-05181":"4.209706253","UNCO-05182":"2.077024822"},{"Metabolite":"2-butenoylglycine","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.941424961","UNCO-05154":"1.058575039","UNCO-05155":"NA","UNCO-05156":"2.260718462","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.664094703","UNCO-05160":"0.902538377","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.665872806","UNCO-05164":"2.518015421","UNCO-05165":"1.1260837","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"2-hydroxyarachidate*","UNCO-05151":"1.08080846","UNCO-05152":"1.227184898","UNCO-05153":"0.922819178","UNCO-05154":"1.528535136","UNCO-05155":"0.981272948","UNCO-05156":"0.832146338","UNCO-05157":"0.524600772","UNCO-05158":"0.536288679","UNCO-05159":"1.213272264","UNCO-05160":"1.176097707","UNCO-05161":"0.959901848","UNCO-05162":"0.747899192","UNCO-05163":"1.213670878","UNCO-05164":"0.835451721","UNCO-05165":"1.133680351","UNCO-05166":"0.751604483","UNCO-05167":"0.832555304","UNCO-05168":"0.900636616","UNCO-05169":"1.105179512","UNCO-05170":"1.110027579","UNCO-05171":"0.92087141","UNCO-05173":"1.0234457","UNCO-05174":"1","UNCO-05175":"0.664191728","UNCO-05176":"0.988019605","UNCO-05177":"1.221957631","UNCO-05178":"1.789452023","UNCO-05179":"0.431234704","UNCO-05180":"1.014822455","UNCO-05181":"1.193812696","UNCO-05182":"1.267494005"},{"Metabolite":"18-methylnonadecanoate (i20:0)","UNCO-05151":"0.425086287","UNCO-05152":"1.646252929","UNCO-05153":"3.527156906","UNCO-05154":"1.550603394","UNCO-05155":"0.946976461","UNCO-05156":"1.104293004","UNCO-05157":"0.902886267","UNCO-05158":"0.282136015","UNCO-05159":"0.899914712","UNCO-05160":"1.623270243","UNCO-05161":"0.248530327","UNCO-05162":"0.859421561","UNCO-05163":"1.498763838","UNCO-05164":"1.468777095","UNCO-05165":"1.238177232","UNCO-05166":"0.595764198","UNCO-05167":"0.482316898","UNCO-05168":"1","UNCO-05169":"0.676766603","UNCO-05170":"1.066888648","UNCO-05171":"1.391105047","UNCO-05173":"0.845340656","UNCO-05174":"1.10320629","UNCO-05175":"0.849791869","UNCO-05176":"0.806651825","UNCO-05177":"0.660882023","UNCO-05178":"1.321206839","UNCO-05179":"0.420689184","UNCO-05180":"1.006403691","UNCO-05181":"1.584154328","UNCO-05182":"1.501647786"},{"Metabolite":"3-hydroxyoleate*","UNCO-05151":"2.108014551","UNCO-05152":"2.283592481","UNCO-05153":"2.701486428","UNCO-05154":"4.639802539","UNCO-05155":"1.177619053","UNCO-05156":"1","UNCO-05157":"0.533690294","UNCO-05158":"1.595592629","UNCO-05159":"2.279581545","UNCO-05160":"2.390292318","UNCO-05161":"1.433005435","UNCO-05162":"0.586431703","UNCO-05163":"3.10999102","UNCO-05164":"2.931437809","UNCO-05165":"1.992576654","UNCO-05166":"0.840344112","UNCO-05167":"0.511020447","UNCO-05168":"0.642879554","UNCO-05169":"0.486656756","UNCO-05170":"0.914181561","UNCO-05171":"1.256483364","UNCO-05173":"0.860119972","UNCO-05174":"0.865018952","UNCO-05175":"0.455514835","UNCO-05176":"NA","UNCO-05177":"0.786003464","UNCO-05178":"0.691579601","UNCO-05179":"0.511370103","UNCO-05180":"0.657383008","UNCO-05181":"NA","UNCO-05182":"3.997241026"},{"Metabolite":"nonadecanedioate (C19-DC)","UNCO-05151":"1.32015763","UNCO-05152":"2.120134046","UNCO-05153":"1.934351476","UNCO-05154":"1.471960861","UNCO-05155":"1.828493546","UNCO-05156":"1.479384946","UNCO-05157":"0.82124552","UNCO-05158":"0.530036117","UNCO-05159":"2.245396831","UNCO-05160":"1.218453809","UNCO-05161":"1.57320671","UNCO-05162":"0.605151775","UNCO-05163":"1.291274671","UNCO-05164":"2.426465854","UNCO-05165":"0.85679074","UNCO-05166":"0.421678811","UNCO-05167":"0.467819367","UNCO-05168":"1.308541043","UNCO-05169":"0.825207116","UNCO-05170":"0.765193569","UNCO-05171":"1.200195804","UNCO-05173":"0.339255343","UNCO-05174":"0.799227755","UNCO-05175":"0.752725757","UNCO-05176":"0.771875026","UNCO-05177":"1.400876454","UNCO-05178":"0.605367872","UNCO-05179":"0.256954184","UNCO-05180":"0.823227689","UNCO-05181":"1","UNCO-05182":"2.390055697"},{"Metabolite":"dodecenedioate (C12:1-DC)*","UNCO-05151":"0.778559726","UNCO-05152":"3.378993672","UNCO-05153":"1.087718309","UNCO-05154":"1.852701628","UNCO-05155":"0.843334085","UNCO-05156":"0.875485296","UNCO-05157":"0.751175395","UNCO-05158":"0.523890795","UNCO-05159":"1.351262066","UNCO-05160":"1.25199461","UNCO-05161":"0.79567419","UNCO-05162":"0.668731523","UNCO-05163":"1.776565116","UNCO-05164":"1.85410854","UNCO-05165":"0.824189393","UNCO-05166":"0.959900032","UNCO-05167":"0.611739703","UNCO-05168":"0.648099778","UNCO-05169":"1.72284125","UNCO-05170":"1.672305199","UNCO-05171":"2.295733553","UNCO-05173":"0.809802676","UNCO-05174":"1.373006874","UNCO-05175":"0.734832655","UNCO-05176":"0.830191031","UNCO-05177":"1.850238047","UNCO-05178":"1","UNCO-05179":"0.597243164","UNCO-05180":"1.14084854","UNCO-05181":"1.121555439","UNCO-05182":"2.663724221"},{"Metabolite":"hexadecenedioate (C16:1-DC)*","UNCO-05151":"1.257311581","UNCO-05152":"2.384081252","UNCO-05153":"1.118195149","UNCO-05154":"3.300455364","UNCO-05155":"1.152829075","UNCO-05156":"1.249077487","UNCO-05157":"0.772211758","UNCO-05158":"0.327398795","UNCO-05159":"3.61877567","UNCO-05160":"1.171783303","UNCO-05161":"1.173041133","UNCO-05162":"0.566124944","UNCO-05163":"1.314458789","UNCO-05164":"1.741236595","UNCO-05165":"0.475358419","UNCO-05166":"0.356295513","UNCO-05167":"0.353456947","UNCO-05168":"0.736885713","UNCO-05169":"1.140988784","UNCO-05170":"1.550996773","UNCO-05171":"1","UNCO-05173":"0.419484477","UNCO-05174":"0.789442153","UNCO-05175":"0.361721913","UNCO-05176":"0.430328517","UNCO-05177":"1.151081463","UNCO-05178":"0.576346118","UNCO-05179":"0.270028807","UNCO-05180":"0.500808307","UNCO-05181":"0.490110284","UNCO-05182":"5.555257542"},{"Metabolite":"octadecenedioate (C18:1-DC)","UNCO-05151":"1.296018518","UNCO-05152":"0.732186337","UNCO-05153":"0.548217856","UNCO-05154":"1.728756335","UNCO-05155":"2.010679188","UNCO-05156":"0.84616995","UNCO-05157":"1","UNCO-05158":"0.304524138","UNCO-05159":"2.105313937","UNCO-05160":"0.618184608","UNCO-05161":"1.254793131","UNCO-05162":"0.892965354","UNCO-05163":"1.425556998","UNCO-05164":"0.747096869","UNCO-05165":"0.426941034","UNCO-05166":"0.639946608","UNCO-05167":"0.694376956","UNCO-05168":"1.597646908","UNCO-05169":"2.517403699","UNCO-05170":"2.816501103","UNCO-05171":"1.866378721","UNCO-05173":"0.763787667","UNCO-05174":"1.440365936","UNCO-05175":"0.984413369","UNCO-05176":"0.769451165","UNCO-05177":"1.514968179","UNCO-05178":"1.370933089","UNCO-05179":"0.429784075","UNCO-05180":"0.87629493","UNCO-05181":"1.059236147","UNCO-05182":"2.004512455"},{"Metabolite":"octadecadienedioate (C18:2-DC)*","UNCO-05151":"1","UNCO-05152":"1.361862252","UNCO-05153":"0.900523825","UNCO-05154":"1.832434068","UNCO-05155":"0.890272206","UNCO-05156":"0.68408159","UNCO-05157":"0.867485398","UNCO-05158":"0.576813367","UNCO-05159":"1.698807459","UNCO-05160":"0.786288448","UNCO-05161":"0.882055266","UNCO-05162":"0.856303995","UNCO-05163":"0.995574195","UNCO-05164":"1.763091415","UNCO-05165":"0.464774003","UNCO-05166":"1.071320888","UNCO-05167":"0.903978069","UNCO-05168":"1.515480096","UNCO-05169":"1.911188781","UNCO-05170":"1.996406644","UNCO-05171":"1.618384737","UNCO-05173":"0.89568024","UNCO-05174":"1.457804182","UNCO-05175":"1.120284304","UNCO-05176":"0.708421297","UNCO-05177":"2.446538334","UNCO-05178":"1.125175446","UNCO-05179":"0.406117638","UNCO-05180":"1.138649307","UNCO-05181":"0.965871343","UNCO-05182":"3.697434562"},{"Metabolite":"3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.873024607","UNCO-05160":"0.604908019","UNCO-05161":"0.687958066","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"0.588262812","UNCO-05166":"NA","UNCO-05167":"0.966829881","UNCO-05168":"1.458618662","UNCO-05169":"1.400692362","UNCO-05170":"1.645676746","UNCO-05171":"1.118603781","UNCO-05173":"1.087095509","UNCO-05174":"1.09641834","UNCO-05175":"0.849841167","UNCO-05176":"0.965711587","UNCO-05177":"1.033170119","UNCO-05178":"0.751854542","UNCO-05179":"NA","UNCO-05180":"0.835180821","UNCO-05181":"1.254933192","UNCO-05182":"1.245795259"},{"Metabolite":"N-acetyl-2-aminooctanoate*","UNCO-05151":"0.857512664","UNCO-05152":"1.114385688","UNCO-05153":"3.699558269","UNCO-05154":"0.742621178","UNCO-05155":"1.063785085","UNCO-05156":"2.507974757","UNCO-05157":"0.321768272","UNCO-05158":"0.872235292","UNCO-05159":"1.505069658","UNCO-05160":"1.485027067","UNCO-05161":"0.915474582","UNCO-05162":"0.626329018","UNCO-05163":"1.078414335","UNCO-05164":"1.934715676","UNCO-05165":"1.856013426","UNCO-05166":"0.523791985","UNCO-05167":"0.971465182","UNCO-05168":"1.049721292","UNCO-05169":"1.832847853","UNCO-05170":"1.023367892","UNCO-05171":"1.096830589","UNCO-05173":"0.616487994","UNCO-05174":"0.602068846","UNCO-05175":"1","UNCO-05176":"0.764196727","UNCO-05177":"1.240573342","UNCO-05178":"0.526855308","UNCO-05179":"0.121731439","UNCO-05180":"0.733285953","UNCO-05181":"0.565705822","UNCO-05182":"1.870938373"},{"Metabolite":"daidzein 7-O-glucuronide","UNCO-05151":"2.531132366","UNCO-05152":"0.849876127","UNCO-05153":"0.076455186","UNCO-05154":"1.07648799","UNCO-05155":"0.872808545","UNCO-05156":"0.233955546","UNCO-05157":"2.637929633","UNCO-05158":"0.019971088","UNCO-05159":"1.28734076","UNCO-05160":"0.571040991","UNCO-05161":"0.6452215","UNCO-05162":"1.015585754","UNCO-05163":"0.263548348","UNCO-05164":"0.067898492","UNCO-05165":"0.144812192","UNCO-05166":"1.76783676","UNCO-05167":"2.098670756","UNCO-05168":"2.796712342","UNCO-05169":"4.322858459","UNCO-05170":"7.351838045","UNCO-05171":"0.919459937","UNCO-05173":"0.880397513","UNCO-05174":"1.095862637","UNCO-05175":"1.418701339","UNCO-05176":"1.649342535","UNCO-05177":"0.611763013","UNCO-05178":"1","UNCO-05179":"0.247762414","UNCO-05180":"0.732103969","UNCO-05181":"1.55284618","UNCO-05182":"4.402235834"},{"Metabolite":"genistein sulfate*","UNCO-05151":"0.389827694","UNCO-05152":"0.346885965","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.365391604","UNCO-05156":"0.280798872","UNCO-05157":"0.861998747","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.959990602","UNCO-05163":"0.155767544","UNCO-05164":"NA","UNCO-05165":"0.246676065","UNCO-05166":"0.707092732","UNCO-05167":"1.609241855","UNCO-05168":"6.723348997","UNCO-05169":"4.064276316","UNCO-05170":"3.130667293","UNCO-05171":"17.06375313","UNCO-05173":"1.891434837","UNCO-05174":"4.378098371","UNCO-05175":"0.693427318","UNCO-05176":"0.431422306","UNCO-05177":"0.27070802","UNCO-05178":"17.0435119","UNCO-05179":"4.388800125","UNCO-05180":"4.611848371","UNCO-05181":"17.13336779","UNCO-05182":"1.040009398"},{"Metabolite":"glyco-alpha-muricholate**","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.079593501","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"0.421178635","UNCO-05157":"NA","UNCO-05158":"1.006713839","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.843225011","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"1","UNCO-05166":"1.258985596","UNCO-05167":"0.307199154","UNCO-05168":"1.58301157","UNCO-05169":"4.67447586","UNCO-05170":"2.138663056","UNCO-05171":"6.161649487","UNCO-05173":"NA","UNCO-05174":"1.545911712","UNCO-05175":"0.731307146","UNCO-05176":"0.159550987","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"0.254573117","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"glyco-beta-muricholate**","UNCO-05151":"0.471863691","UNCO-05152":"0.22797356","UNCO-05153":"0.244823647","UNCO-05154":"0.401498561","UNCO-05155":"0.506547587","UNCO-05156":"0.72438863","UNCO-05157":"0.653805651","UNCO-05158":"NA","UNCO-05159":"3.992132769","UNCO-05160":"1.102142533","UNCO-05161":"0.616480339","UNCO-05162":"NA","UNCO-05163":"0.765468428","UNCO-05164":"4.866362161","UNCO-05165":"1.056148375","UNCO-05166":"NA","UNCO-05167":"1.219473632","UNCO-05168":"1.788309779","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"15.90293053","UNCO-05173":"0.992411462","UNCO-05174":"3.26906825","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.544486449","UNCO-05178":"2.060889563","UNCO-05179":"0.749641209","UNCO-05180":"1.007588538","UNCO-05181":"1.372700409","UNCO-05182":"4.115542356"},{"Metabolite":"genistein glucuronide*","UNCO-05151":"3.600678714","UNCO-05152":"0.867494893","UNCO-05153":"0.050673868","UNCO-05154":"0.862141711","UNCO-05155":"0.61652222","UNCO-05156":"0.128054908","UNCO-05157":"1.873110573","UNCO-05158":"NA","UNCO-05159":"0.670175167","UNCO-05160":"0.331887986","UNCO-05161":"0.678861851","UNCO-05162":"1.047861382","UNCO-05163":"0.224154329","UNCO-05164":"0.031740775","UNCO-05165":"0.133469483","UNCO-05166":"1.627771834","UNCO-05167":"2.081666638","UNCO-05168":"4.009760572","UNCO-05169":"5.822363033","UNCO-05170":"9.014966741","UNCO-05171":"1.473183316","UNCO-05173":"0.952138618","UNCO-05174":"1.061941402","UNCO-05175":"0.903552792","UNCO-05176":"1.426222262","UNCO-05177":"0.553941662","UNCO-05178":"1.606312646","UNCO-05179":"0.38600321","UNCO-05180":"1.087801343","UNCO-05181":"2.060008004","UNCO-05182":"5.064684198"},{"Metabolite":"3-formylindole","UNCO-05151":"0.712284154","UNCO-05152":"1.183655768","UNCO-05153":"1.442999961","UNCO-05154":"0.812596531","UNCO-05155":"0.410090972","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"1.199452574","UNCO-05159":"0.857106619","UNCO-05160":"0.851051382","UNCO-05161":"1.016101613","UNCO-05162":"0.983898387","UNCO-05163":"0.622228859","UNCO-05164":"NA","UNCO-05165":"0.728862413","UNCO-05166":"2.574122451","UNCO-05167":"1.64682008","UNCO-05168":"3.390793993","UNCO-05169":"1.251912207","UNCO-05170":"1.03751588","UNCO-05171":"1.512794758","UNCO-05173":"0.874163569","UNCO-05174":"1.026919214","UNCO-05175":"1.563004134","UNCO-05176":"0.804446508","UNCO-05177":"0.650017491","UNCO-05178":"0.871905129","UNCO-05179":"0.827141375","UNCO-05180":"0.738730814","UNCO-05181":"1.268735949","UNCO-05182":"1.395478619"},{"Metabolite":"resveratrol disulfate (1)*","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.388130707","UNCO-05156":"0.69549198","UNCO-05157":"NA","UNCO-05158":"0.436506299","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.619420978","UNCO-05163":"NA","UNCO-05164":"1","UNCO-05165":"0.338275433","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.560917521","UNCO-05169":"0.299915699","UNCO-05170":"NA","UNCO-05171":"3.691094199","UNCO-05173":"1.588760309","UNCO-05174":"1.347306801","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"3.324309825","UNCO-05179":"1.730798026","UNCO-05180":"1.515406972","UNCO-05181":"2.278781591","UNCO-05182":"NA"},{"Metabolite":"glycine conjugate of C10H14O2 (1)*","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"1.217181814","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"1.22036607","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"1","UNCO-05161":"1.002974765","UNCO-05162":"NA","UNCO-05163":"0.899103381","UNCO-05164":"NA","UNCO-05165":"1.336351992","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.749994015","UNCO-05169":"0.881356541","UNCO-05170":"NA","UNCO-05171":"0.755285147","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"1.304060525","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"NA","UNCO-05182":"0.644751963"},{"Metabolite":"dihydroferulic acid sulfate","UNCO-05151":"0.862956679","UNCO-05152":"0.239457272","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.544264653","UNCO-05156":"1.183580306","UNCO-05157":"2.166611053","UNCO-05158":"NA","UNCO-05159":"3.507407599","UNCO-05160":"NA","UNCO-05161":"0.312021506","UNCO-05162":"0.386791492","UNCO-05163":"0.715733687","UNCO-05164":"0.325594402","UNCO-05165":"1.078561123","UNCO-05166":"0.54040772","UNCO-05167":"3.390413438","UNCO-05168":"1.372201883","UNCO-05169":"3.552495492","UNCO-05170":"9.144349875","UNCO-05171":"0.660848369","UNCO-05173":"1.021231931","UNCO-05174":"1.131278287","UNCO-05175":"0.749628328","UNCO-05176":"0.628026839","UNCO-05177":"0.714076239","UNCO-05178":"2.500373631","UNCO-05179":"0.640094246","UNCO-05180":"1","UNCO-05181":"1.723790635","UNCO-05182":"1.92043313"},{"Metabolite":"tetradecadienoate (14:2)*","UNCO-05151":"1.399424909","UNCO-05152":"2.756816104","UNCO-05153":"1.990667747","UNCO-05154":"2.977130011","UNCO-05155":"0.49978511","UNCO-05156":"1.165892546","UNCO-05157":"0.169369637","UNCO-05158":"1","UNCO-05159":"1.622700521","UNCO-05160":"2.048425848","UNCO-05161":"1.411631055","UNCO-05162":"0.482854879","UNCO-05163":"1.819324927","UNCO-05164":"3.341843625","UNCO-05165":"1.772683413","UNCO-05166":"1.256543438","UNCO-05167":"0.31047357","UNCO-05168":"0.589956714","UNCO-05169":"0.688184","UNCO-05170":"0.815792541","UNCO-05171":"1.482757148","UNCO-05173":"0.561769546","UNCO-05174":"0.900063792","UNCO-05175":"0.252996356","UNCO-05176":"0.750732871","UNCO-05177":"1.398476436","UNCO-05178":"0.766963826","UNCO-05179":"0.227972508","UNCO-05180":"0.571479865","UNCO-05181":"0.670373175","UNCO-05182":"3.449586501"},{"Metabolite":"3-indoleglyoxylic acid","UNCO-05151":"0.566594027","UNCO-05152":"1.107068457","UNCO-05153":"0.677408392","UNCO-05154":"0.639876352","UNCO-05155":"0.995992973","UNCO-05156":"0.378914627","UNCO-05157":"0.794501138","UNCO-05158":"0.4935997","UNCO-05159":"0.750460319","UNCO-05160":"1.004007027","UNCO-05161":"0.63759924","UNCO-05162":"1.025779758","UNCO-05163":"0.538108998","UNCO-05164":"0.451044957","UNCO-05165":"0.617926983","UNCO-05166":"1.165850989","UNCO-05167":"0.92174681","UNCO-05168":"1.125389039","UNCO-05169":"1.006468459","UNCO-05170":"1.10321311","UNCO-05171":"1.126809834","UNCO-05173":"1.358483973","UNCO-05174":"1.115282191","UNCO-05175":"1.299805121","UNCO-05176":"1.416606027","UNCO-05177":"0.805602542","UNCO-05178":"0.877053193","UNCO-05179":"NA","UNCO-05180":"1.0563307","UNCO-05181":"1.39050179","UNCO-05182":"1.323927923"},{"Metabolite":"ethyl beta-glucopyranoside","UNCO-05151":"0.708691862","UNCO-05152":"0.348356305","UNCO-05153":"NA","UNCO-05154":"0.883914316","UNCO-05155":"1.473327177","UNCO-05156":"0.363546135","UNCO-05157":"1.097184703","UNCO-05158":"NA","UNCO-05159":"1.218582513","UNCO-05160":"0.765791813","UNCO-05161":"0.595260083","UNCO-05162":"1.490061881","UNCO-05163":"0.481823988","UNCO-05164":"0.59551037","UNCO-05165":"0.371870334","UNCO-05166":"1","UNCO-05167":"0.908610735","UNCO-05168":"1.085110515","UNCO-05169":"1.013265209","UNCO-05170":"1.661698327","UNCO-05171":"1.544343946","UNCO-05173":"1.208411368","UNCO-05174":"1.329097154","UNCO-05175":"1.108702219","UNCO-05176":"1.212584256","UNCO-05177":"0.88036283","UNCO-05178":"0.740310011","UNCO-05179":"0.384980193","UNCO-05180":"0.693014404","UNCO-05181":"1.032381955","UNCO-05182":"1.717620202"},{"Metabolite":"2-hydroxysebacate","UNCO-05151":"1.271298751","UNCO-05152":"1.557193266","UNCO-05153":"0.42640591","UNCO-05154":"2.187373112","UNCO-05155":"1.312139716","UNCO-05156":"1.096533894","UNCO-05157":"0.93393088","UNCO-05158":"NA","UNCO-05159":"2.52131719","UNCO-05160":"1.320442997","UNCO-05161":"0.878482506","UNCO-05162":"0.997119666","UNCO-05163":"1.376221328","UNCO-05164":"1.693873273","UNCO-05165":"0.769154028","UNCO-05166":"0.59153601","UNCO-05167":"0.831123913","UNCO-05168":"0.899650245","UNCO-05169":"1.115698597","UNCO-05170":"1.625622552","UNCO-05171":"1.251008311","UNCO-05173":"0.652593659","UNCO-05174":"1","UNCO-05175":"0.8578427","UNCO-05176":"0.697040864","UNCO-05177":"1.072144219","UNCO-05178":"0.870676102","UNCO-05179":"NA","UNCO-05180":"0.588942933","UNCO-05181":"0.836527451","UNCO-05182":"3.016905465"},{"Metabolite":"enterolactone sulfate","UNCO-05151":"1.724454231","UNCO-05152":"0.914698195","UNCO-05153":"0.84574067","UNCO-05154":"0.382581329","UNCO-05155":"1.736143443","UNCO-05156":"0.527089879","UNCO-05157":"1","UNCO-05158":"0.618637519","UNCO-05159":"0.781214522","UNCO-05160":"0.672685217","UNCO-05161":"0.355368487","UNCO-05162":"2.329848827","UNCO-05163":"0.800336076","UNCO-05164":"1.59428213","UNCO-05165":"0.911703968","UNCO-05166":"0.676006223","UNCO-05167":"3.397074766","UNCO-05168":"3.31732212","UNCO-05169":"2.161547485","UNCO-05170":"2.663112986","UNCO-05171":"2.76523273","UNCO-05173":"0.904074885","UNCO-05174":"0.511214542","UNCO-05175":"1.525959969","UNCO-05176":"1.167996124","UNCO-05177":"1.607171998","UNCO-05178":"1.44624977","UNCO-05179":"0.74183544","UNCO-05180":"2.05629876","UNCO-05181":"3.255457358","UNCO-05182":"0.610624388"},{"Metabolite":"6-bromotryptophan","UNCO-05151":"0.86728327","UNCO-05152":"0.797056138","UNCO-05153":"0.962481949","UNCO-05154":"0.979760946","UNCO-05155":"1.062413121","UNCO-05156":"0.807843702","UNCO-05157":"0.551308408","UNCO-05158":"0.968626992","UNCO-05159":"0.942301377","UNCO-05160":"1.262945752","UNCO-05161":"1.016113868","UNCO-05162":"0.83714287","UNCO-05163":"1.142231199","UNCO-05164":"0.739708403","UNCO-05165":"1.321391137","UNCO-05166":"1.622673678","UNCO-05167":"1.1601265","UNCO-05168":"1.427948698","UNCO-05169":"1.221423976","UNCO-05170":"1","UNCO-05171":"1.404493169","UNCO-05173":"1.131002776","UNCO-05174":"1.072022061","UNCO-05175":"1.624680039","UNCO-05176":"1.541618495","UNCO-05177":"0.98970278","UNCO-05178":"0.763366368","UNCO-05179":"0.22405114","UNCO-05180":"1.056241087","UNCO-05181":"0.860679374","UNCO-05182":"0.494163109"},{"Metabolite":"dodecadienoate (12:2)*","UNCO-05151":"1","UNCO-05152":"1.401100398","UNCO-05153":"1.082732169","UNCO-05154":"1.87223077","UNCO-05155":"0.468584428","UNCO-05156":"0.81038635","UNCO-05157":"0.242565156","UNCO-05158":"1.005650619","UNCO-05159":"1.198528582","UNCO-05160":"1.438147323","UNCO-05161":"0.980394855","UNCO-05162":"0.515746319","UNCO-05163":"1.489948338","UNCO-05164":"2.926036887","UNCO-05165":"2.034557405","UNCO-05166":"1.231398783","UNCO-05167":"0.447348503","UNCO-05168":"0.606694319","UNCO-05169":"0.724232983","UNCO-05170":"0.724464182","UNCO-05171":"2.163027114","UNCO-05173":"0.746960693","UNCO-05174":"1.046937573","UNCO-05175":"0.334133815","UNCO-05176":"1.057666319","UNCO-05177":"1.423623057","UNCO-05178":"0.691909128","UNCO-05179":"0.446261316","UNCO-05180":"0.572732802","UNCO-05181":"0.714518486","UNCO-05182":"1.830938311"},{"Metabolite":"gamma-CEHC sulfate","UNCO-05151":"0.780099455","UNCO-05152":"0.419476893","UNCO-05153":"1.130678402","UNCO-05154":"0.759789408","UNCO-05155":"0.826669959","UNCO-05156":"0.324700891","UNCO-05157":"0.375795177","UNCO-05158":"0.370364772","UNCO-05159":"1.029875208","UNCO-05160":"0.967425699","UNCO-05161":"0.988075993","UNCO-05162":"0.635604308","UNCO-05163":"0.354891655","UNCO-05164":"0.409790387","UNCO-05165":"0.440204269","UNCO-05166":"1.151142011","UNCO-05167":"1.980473425","UNCO-05168":"2.574909631","UNCO-05169":"2.163564044","UNCO-05170":"2.53947906","UNCO-05171":"1.129609182","UNCO-05173":"1.247873079","UNCO-05174":"1.027441989","UNCO-05175":"1.928207545","UNCO-05176":"1.748128264","UNCO-05177":"1.54682569","UNCO-05178":"1","UNCO-05179":"0.259505919","UNCO-05180":"1.123105644","UNCO-05181":"1.422527976","UNCO-05182":"0.717362091"},{"Metabolite":"delta-CEHC sulfate","UNCO-05151":"0.827048669","UNCO-05152":"0.357854609","UNCO-05153":"0.904405358","UNCO-05154":"0.621758954","UNCO-05155":"1.070423238","UNCO-05156":"0.552322988","UNCO-05157":"0.644454931","UNCO-05158":"0.542026693","UNCO-05159":"1.118008771","UNCO-05160":"0.891055447","UNCO-05161":"0.855428304","UNCO-05162":"0.889000375","UNCO-05163":"0.436705894","UNCO-05164":"0.53283041","UNCO-05165":"0.525495931","UNCO-05166":"1","UNCO-05167":"1.228343236","UNCO-05168":"1.568375415","UNCO-05169":"1.392866519","UNCO-05170":"1.38044912","UNCO-05171":"1.686437334","UNCO-05173":"1.489516076","UNCO-05174":"1.29708022","UNCO-05175":"1.415581822","UNCO-05176":"1.194842028","UNCO-05177":"1.123241473","UNCO-05178":"1.347761245","UNCO-05179":"0.295835259","UNCO-05180":"1.321972997","UNCO-05181":"2.048904579","UNCO-05182":"0.718015535"},{"Metabolite":"2-naphthol sulfate","UNCO-05151":"0.343684381","UNCO-05152":"NA","UNCO-05153":"0.551556071","UNCO-05154":"0.563531762","UNCO-05155":"0.646286085","UNCO-05156":"1.389367841","UNCO-05157":"NA","UNCO-05158":"0.547612544","UNCO-05159":"0.805111221","UNCO-05160":"0.528236338","UNCO-05161":"0.318742851","UNCO-05162":"0.592007102","UNCO-05163":"0.726488212","UNCO-05164":"1.807390273","UNCO-05165":"1.771155914","UNCO-05166":"0.738873619","UNCO-05167":"0.716612322","UNCO-05168":"1.427164245","UNCO-05169":"1.370597675","UNCO-05170":"0.853696843","UNCO-05171":"1.1731567","UNCO-05173":"1.849198491","UNCO-05174":"1.18287041","UNCO-05175":"1.533016372","UNCO-05176":"1.146303157","UNCO-05177":"1.522824658","UNCO-05178":"1.323906994","UNCO-05179":"0.623009031","UNCO-05180":"2.169546068","UNCO-05181":"2.126662342","UNCO-05182":"NA"},{"Metabolite":"4-ethylcatechol sulfate","UNCO-05151":"1.231703281","UNCO-05152":"3.152697503","UNCO-05153":"0.163532368","UNCO-05154":"0.099810635","UNCO-05155":"2.927047408","UNCO-05156":"0.668966223","UNCO-05157":"1.623888253","UNCO-05158":"0.646451636","UNCO-05159":"1.650798844","UNCO-05160":"0.159599924","UNCO-05161":"0.125854475","UNCO-05162":"1.375884034","UNCO-05163":"0.569316051","UNCO-05164":"0.935113422","UNCO-05165":"0.979035932","UNCO-05166":"1.16671442","UNCO-05167":"1.483512324","UNCO-05168":"2.822583026","UNCO-05169":"1","UNCO-05170":"1.30420983","UNCO-05171":"0.758930733","UNCO-05173":"0.480040313","UNCO-05174":"0.48787705","UNCO-05175":"1.233950392","UNCO-05176":"2.438267948","UNCO-05177":"1.309768176","UNCO-05178":"0.748693304","UNCO-05179":"0.148082543","UNCO-05180":"0.683297498","UNCO-05181":"1.371990689","UNCO-05182":"1.002303101"},{"Metabolite":"4-allylcatechol sulfate","UNCO-05151":"0.69805866","UNCO-05152":"0.629014976","UNCO-05153":"0.549337134","UNCO-05154":"0.35852628","UNCO-05155":"1.056392878","UNCO-05156":"0.481089496","UNCO-05157":"1.326199249","UNCO-05158":"NA","UNCO-05159":"1.05383795","UNCO-05160":"0.716878187","UNCO-05161":"0.413610104","UNCO-05162":"1.15056633","UNCO-05163":"0.273776491","UNCO-05164":"0.84009593","UNCO-05165":"0.594590428","UNCO-05166":"1.736013606","UNCO-05167":"1.86657013","UNCO-05168":"1.956480316","UNCO-05169":"1.196006631","UNCO-05170":"1.42053191","UNCO-05171":"1.259960678","UNCO-05173":"0.61301067","UNCO-05174":"0.94616205","UNCO-05175":"1.315572673","UNCO-05176":"1.935222109","UNCO-05177":"1.287994117","UNCO-05178":"1.291686252","UNCO-05179":"0.371179613","UNCO-05180":"0.872059054","UNCO-05181":"1.364950241","UNCO-05182":"0.893600299"},{"Metabolite":"heptadecatrienoate (17:3)*","UNCO-05151":"0.695890089","UNCO-05152":"0.734378901","UNCO-05153":"1","UNCO-05154":"1.271297553","UNCO-05155":"0.620790145","UNCO-05156":"0.718015231","UNCO-05157":"0.371724462","UNCO-05158":"0.927416291","UNCO-05159":"0.901989834","UNCO-05160":"0.850257774","UNCO-05161":"0.75896601","UNCO-05162":"0.498243519","UNCO-05163":"1.31566361","UNCO-05164":"2.75968235","UNCO-05165":"1.165217706","UNCO-05166":"1.883008629","UNCO-05167":"0.700696442","UNCO-05168":"0.921801342","UNCO-05169":"0.605222409","UNCO-05170":"1.952679944","UNCO-05171":"2.656361137","UNCO-05173":"1.320990937","UNCO-05174":"1.926204302","UNCO-05175":"0.435393716","UNCO-05176":"1.608080534","UNCO-05177":"2.502926865","UNCO-05178":"1.427302328","UNCO-05179":"0.462437365","UNCO-05180":"1.708771549","UNCO-05181":"1.419793419","UNCO-05182":"1.629728116"},{"Metabolite":"2,6-dihydroxybenzoic acid","UNCO-05151":"0.803759063","UNCO-05152":"0.388794697","UNCO-05153":"0.498341595","UNCO-05154":"0.547387381","UNCO-05155":"1.008836381","UNCO-05156":"0.640425029","UNCO-05157":"0.839801411","UNCO-05158":"0.746124907","UNCO-05159":"0.986748032","UNCO-05160":"0.737855009","UNCO-05161":"0.751319062","UNCO-05162":"1.089783492","UNCO-05163":"0.590217293","UNCO-05164":"0.921351799","UNCO-05165":"0.666337491","UNCO-05166":"1.213955699","UNCO-05167":"1.852887808","UNCO-05168":"2.429116738","UNCO-05169":"1.02889674","UNCO-05170":"2.235348093","UNCO-05171":"1.573088105","UNCO-05173":"1.609342711","UNCO-05174":"1.647745928","UNCO-05175":"1","UNCO-05176":"1.744421637","UNCO-05177":"1.295564575","UNCO-05178":"1.642384813","UNCO-05179":"0.504412897","UNCO-05180":"2.03663365","UNCO-05181":"2.249656665","UNCO-05182":"0.688259574"},{"Metabolite":"tauroursodeoxycholic acid sulfate (2)","UNCO-05151":"3.915664718","UNCO-05152":"6.852244733","UNCO-05153":"3.463120932","UNCO-05154":"6.143398169","UNCO-05155":"2.185884473","UNCO-05156":"2.018102487","UNCO-05157":"2.98465517","UNCO-05158":"0.558149796","UNCO-05159":"9.61777647","UNCO-05160":"7.14790847","UNCO-05161":"7.077453396","UNCO-05162":"0.435017343","UNCO-05163":"10.8511907","UNCO-05164":"1.129266708","UNCO-05165":"0.809831967","UNCO-05166":"0.467674131","UNCO-05167":"0.667230454","UNCO-05168":"0.922718192","UNCO-05169":"0.339148926","UNCO-05170":"NA","UNCO-05171":"0.881365592","UNCO-05173":"0.535794389","UNCO-05174":"0.537841183","UNCO-05175":"1","UNCO-05176":"NA","UNCO-05177":"0.498504737","UNCO-05178":"0.677372504","UNCO-05179":"NA","UNCO-05180":"0.578476793","UNCO-05181":"NA","UNCO-05182":"4.194230981"},{"Metabolite":"12-ketolithocholate","UNCO-05151":"0.457848291","UNCO-05152":"0.35217023","UNCO-05153":"NA","UNCO-05154":"0.889981967","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"0.1340952","UNCO-05158":"0.553630112","UNCO-05159":"0.748185716","UNCO-05160":"1.348187993","UNCO-05161":"0.817443141","UNCO-05162":"0.430582408","UNCO-05163":"1.334974576","UNCO-05164":"0.421743111","UNCO-05165":"0.271494566","UNCO-05166":"1.748255637","UNCO-05167":"NA","UNCO-05168":"6.197859771","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"2.919482065","UNCO-05173":"0.966111148","UNCO-05174":"1.409676071","UNCO-05175":"4.278080136","UNCO-05176":"1.033888852","UNCO-05177":"1.94302263","UNCO-05178":"4.956709232","UNCO-05179":"0.561802722","UNCO-05180":"2.627157587","UNCO-05181":"2.196649978","UNCO-05182":"NA"},{"Metabolite":"3-dehydrodeoxycholate","UNCO-05151":"0.78975627","UNCO-05152":"0.604450226","UNCO-05153":"0.360951376","UNCO-05154":"1.168009503","UNCO-05155":"0.204915789","UNCO-05156":"0.81209509","UNCO-05157":"0.3375948","UNCO-05158":"1.065740943","UNCO-05159":"0.952552097","UNCO-05160":"0.979776413","UNCO-05161":"0.861747246","UNCO-05162":"0.482995764","UNCO-05163":"1.421677943","UNCO-05164":"0.519480865","UNCO-05165":"0.852101148","UNCO-05166":"1.551793961","UNCO-05167":"NA","UNCO-05168":"1.989047827","UNCO-05169":"9.325298019","UNCO-05170":"1.883439006","UNCO-05171":"2.162662961","UNCO-05173":"0.96869403","UNCO-05174":"1.098185577","UNCO-05175":"2.879733364","UNCO-05176":"1.055706876","UNCO-05177":"0.975478186","UNCO-05178":"9.783931409","UNCO-05179":"1","UNCO-05180":"1.996319602","UNCO-05181":"5.288262852","UNCO-05182":"NA"},{"Metabolite":"2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*","UNCO-05151":"1.136846978","UNCO-05152":"1.672685329","UNCO-05153":"1.168764023","UNCO-05154":"1.421392441","UNCO-05155":"0.764867807","UNCO-05156":"1.151435068","UNCO-05157":"1.000017781","UNCO-05158":"0.767214862","UNCO-05159":"1.506329606","UNCO-05160":"1.441777044","UNCO-05161":"1.11683577","UNCO-05162":"0.794938291","UNCO-05163":"1.240120013","UNCO-05164":"0.980451749","UNCO-05165":"1.058065234","UNCO-05166":"0.810428588","UNCO-05167":"0.803754892","UNCO-05168":"1","UNCO-05169":"1.078907526","UNCO-05170":"1.028187045","UNCO-05171":"0.80059651","UNCO-05173":"0.741771315","UNCO-05174":"0.740324491","UNCO-05175":"0.925849803","UNCO-05176":"0.802893515","UNCO-05177":"0.884260707","UNCO-05178":"0.811226744","UNCO-05179":"0.245500326","UNCO-05180":"0.799276786","UNCO-05181":"1.100067237","UNCO-05182":"2.384931436"},{"Metabolite":"3-hydroxy-2-methylpyridine sulfate","UNCO-05151":"0.388214615","UNCO-05152":"0.661581052","UNCO-05153":"0.225346047","UNCO-05154":"1","UNCO-05155":"4.263496946","UNCO-05156":"0.46785165","UNCO-05157":"3.150362526","UNCO-05158":"0.198145626","UNCO-05159":"2.417471547","UNCO-05160":"0.691268621","UNCO-05161":"0.288548578","UNCO-05162":"4.140431516","UNCO-05163":"0.382207672","UNCO-05164":"1.141609175","UNCO-05165":"0.431392539","UNCO-05166":"1.139811926","UNCO-05167":"1.312598321","UNCO-05168":"1.265452388","UNCO-05169":"0.981904469","UNCO-05170":"1.351417146","UNCO-05171":"1.065491937","UNCO-05173":"0.807606451","UNCO-05174":"0.57822648","UNCO-05175":"2.075765698","UNCO-05176":"1.465324955","UNCO-05177":"1.094942216","UNCO-05178":"0.67684229","UNCO-05179":"0.276569847","UNCO-05180":"0.946209957","UNCO-05181":"1.986891945","UNCO-05182":"1.554954519"},{"Metabolite":"glycitein glucuronide (2)*","UNCO-05151":"2.405508505","UNCO-05152":"0.596539518","UNCO-05153":"NA","UNCO-05154":"0.521816132","UNCO-05155":"0.812412894","UNCO-05156":"0.257104283","UNCO-05157":"1.762752159","UNCO-05158":"NA","UNCO-05159":"1.020957881","UNCO-05160":"0.200915612","UNCO-05161":"0.38997494","UNCO-05162":"1.19167879","UNCO-05163":"0.371300636","UNCO-05164":"NA","UNCO-05165":"0.285750429","UNCO-05166":"1.302682059","UNCO-05167":"1.282764547","UNCO-05168":"3.557587826","UNCO-05169":"3.584022369","UNCO-05170":"5.132078928","UNCO-05171":"1.537761919","UNCO-05173":"0.526946003","UNCO-05174":"0.63573767","UNCO-05175":"0.67442109","UNCO-05176":"0.979042119","UNCO-05177":"0.354161805","UNCO-05178":"1.607857079","UNCO-05179":"0.370210102","UNCO-05180":"1.118107008","UNCO-05181":"2.450852907","UNCO-05182":"4.101576694"},{"Metabolite":"glycitein sulfate (2)","UNCO-05151":"0.412891837","UNCO-05152":"0.34675065","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.56546773","UNCO-05156":"NA","UNCO-05157":"0.602493654","UNCO-05158":"NA","UNCO-05159":"0.312983603","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.742931982","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.559528164","UNCO-05167":"1.079962943","UNCO-05168":"5.116765477","UNCO-05169":"2.337841301","UNCO-05170":"1.804392914","UNCO-05171":"10.97150016","UNCO-05173":"0.920037057","UNCO-05174":"1.413818252","UNCO-05175":"0.454223509","UNCO-05176":"0.329251707","UNCO-05177":"0.42850291","UNCO-05178":"9.109341019","UNCO-05179":"2.011458632","UNCO-05180":"1.974349484","UNCO-05181":"11.29964805","UNCO-05182":"1.453901564"},{"Metabolite":"tetradecadienedioate (C14:2-DC)*","UNCO-05151":"NA","UNCO-05152":"5.669074979","UNCO-05153":"1.868297122","UNCO-05154":"4.635957218","UNCO-05155":"NA","UNCO-05156":"1.480216195","UNCO-05157":"NA","UNCO-05158":"0.471655611","UNCO-05159":"3.025629846","UNCO-05160":"1.792518313","UNCO-05161":"1.128671726","UNCO-05162":"NA","UNCO-05163":"1.156529953","UNCO-05164":"4.631801494","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"0.499562282","UNCO-05168":"0.880048028","UNCO-05169":"0.748860723","UNCO-05170":"0.807058156","UNCO-05171":"1","UNCO-05173":"0.482223122","UNCO-05174":"0.791867792","UNCO-05175":"0.568908543","UNCO-05176":"NA","UNCO-05177":"1.295118668","UNCO-05178":"0.729023284","UNCO-05179":"0.322606653","UNCO-05180":"0.833016723","UNCO-05181":"NA","UNCO-05182":"5.912933955"},{"Metabolite":"eicosenedioate (C20:1-DC)*","UNCO-05151":"1.300394866","UNCO-05152":"NA","UNCO-05153":"0.278915772","UNCO-05154":"2.099322004","UNCO-05155":"1.212292651","UNCO-05156":"0.442776634","UNCO-05157":"0.842060193","UNCO-05158":"1.159775913","UNCO-05159":"0.570758859","UNCO-05160":"0.308676628","UNCO-05161":"2.142696787","UNCO-05162":"0.97128449","UNCO-05163":"0.630959468","UNCO-05164":"0.598583318","UNCO-05165":"0.487084899","UNCO-05166":"0.723374217","UNCO-05167":"1.005975058","UNCO-05168":"1.17898559","UNCO-05169":"3.506270147","UNCO-05170":"1.861631177","UNCO-05171":"2.921007595","UNCO-05173":"1.229036186","UNCO-05174":"1.353456778","UNCO-05175":"0.994024942","UNCO-05176":"0.78844282","UNCO-05177":"1.523620574","UNCO-05178":"1.5032254","UNCO-05179":"0.380801638","UNCO-05180":"0.667072119","UNCO-05181":"1.092030298","UNCO-05182":"0.490525669"},{"Metabolite":"hexanoyltaurine","UNCO-05151":"NA","UNCO-05152":"0.338576015","UNCO-05153":"NA","UNCO-05154":"0.269528963","UNCO-05155":"NA","UNCO-05156":"0.89821648","UNCO-05157":"NA","UNCO-05158":"2.621632577","UNCO-05159":"0.143196309","UNCO-05160":"0.189801381","UNCO-05161":"NA","UNCO-05162":"1.634011697","UNCO-05163":"2.159619233","UNCO-05164":"8.582436319","UNCO-05165":"0.592827316","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"2.258433436","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"1.877357277","UNCO-05179":"1.10178352","UNCO-05180":"11.61341307","UNCO-05181":"0.513431088","UNCO-05182":"0.146947363"},{"Metabolite":"3,5-dichloro-2,6-dihydroxybenzoic acid","UNCO-05151":"0.488835901","UNCO-05152":"NA","UNCO-05153":"1.097217723","UNCO-05154":"1.115373152","UNCO-05155":"0.669262768","UNCO-05156":"0.468503376","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.671465782","UNCO-05160":"0.715539026","UNCO-05161":"1.201653557","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"0.536952324","UNCO-05165":"0.76850208","UNCO-05166":"0.879767258","UNCO-05167":"1","UNCO-05168":"1.180919305","UNCO-05169":"1.471458007","UNCO-05170":"1.363937953","UNCO-05171":"1.309562378","UNCO-05173":"1.34072855","UNCO-05174":"1.152124613","UNCO-05175":"0.851465004","UNCO-05176":"0.991822929","UNCO-05177":"1.12440551","UNCO-05178":"0.781953426","UNCO-05179":"NA","UNCO-05180":"1.163619164","UNCO-05181":"1.182655798","UNCO-05182":"0.637617116"},{"Metabolite":"branched chain 14:0 dicarboxylic acid**","UNCO-05151":"1.005339056","UNCO-05152":"0.287217454","UNCO-05153":"NA","UNCO-05154":"0.171236166","UNCO-05155":"0.546712941","UNCO-05156":"0.215810173","UNCO-05157":"0.294891397","UNCO-05158":"0.57141418","UNCO-05159":"1.574401788","UNCO-05160":"0.208167968","UNCO-05161":"0.15715508","UNCO-05162":"0.994660944","UNCO-05163":"0.234761129","UNCO-05164":"NA","UNCO-05165":"0.520808379","UNCO-05166":"0.640024287","UNCO-05167":"1.336890404","UNCO-05168":"1.466685066","UNCO-05169":"0.841967267","UNCO-05170":"2.6675227","UNCO-05171":"2.574450087","UNCO-05173":"1.1305219","UNCO-05174":"1.575911462","UNCO-05175":"1.06397345","UNCO-05176":"1.291487042","UNCO-05177":"2.322335992","UNCO-05178":"1.502437005","UNCO-05179":"0.521229266","UNCO-05180":"2.486059669","UNCO-05181":"2.079681506","UNCO-05182":"NA"},{"Metabolite":"(2 or 3)-decenoate (10:1n7 or n8)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.792946861","UNCO-05154":"1.092211948","UNCO-05155":"NA","UNCO-05156":"0.595722074","UNCO-05157":"NA","UNCO-05158":"0.375627712","UNCO-05159":"0.938879543","UNCO-05160":"1.164210633","UNCO-05161":"0.941131083","UNCO-05162":"0.81069355","UNCO-05163":"1","UNCO-05164":"2.948391667","UNCO-05165":"2.20787533","UNCO-05166":"0.526025526","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"1.476618136","UNCO-05170":"0.808505256","UNCO-05171":"1.234033672","UNCO-05173":"NA","UNCO-05174":"1.106214503","UNCO-05175":"NA","UNCO-05176":"0.997128654","UNCO-05177":"1.507001278","UNCO-05178":"NA","UNCO-05179":"0.499108238","UNCO-05180":"1.014850045","UNCO-05181":"NA","UNCO-05182":"1.836763348"},{"Metabolite":"chenodeoxycholic acid sulfate (1)","UNCO-05151":"1.187277999","UNCO-05152":"1.534802465","UNCO-05153":"1.070945995","UNCO-05154":"1","UNCO-05155":"0.357912287","UNCO-05156":"NA","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.66770569","UNCO-05160":"0.890431316","UNCO-05161":"0.921188837","UNCO-05162":"NA","UNCO-05163":"1.37098224","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"0.239731787","UNCO-05167":"0.906458862","UNCO-05168":"1.539702791","UNCO-05169":"1.866284886","UNCO-05170":"1.887314244","UNCO-05171":"0.507502718","UNCO-05173":"NA","UNCO-05174":"NA","UNCO-05175":"0.644371149","UNCO-05176":"NA","UNCO-05177":"0.539485321","UNCO-05178":"1.366799565","UNCO-05179":"NA","UNCO-05180":"0.523696992","UNCO-05181":"0.51090975","UNCO-05182":"1.381072852"},{"Metabolite":"branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*","UNCO-05151":"0.738052435","UNCO-05152":"NA","UNCO-05153":"0.293716124","UNCO-05154":"NA","UNCO-05155":"0.534474136","UNCO-05156":"NA","UNCO-05157":"0.821828438","UNCO-05158":"0.999499885","UNCO-05159":"3.20470919","UNCO-05160":"1.254927934","UNCO-05161":"0.840643571","UNCO-05162":"NA","UNCO-05163":"1.068497718","UNCO-05164":"3.086582954","UNCO-05165":"0.646292617","UNCO-05166":"1.369945348","UNCO-05167":"0.847510014","UNCO-05168":"1.096396019","UNCO-05169":"0.980008921","UNCO-05170":"1.572613528","UNCO-05171":"2.213066966","UNCO-05173":"0.686797417","UNCO-05174":"1.479357871","UNCO-05175":"0.637083294","UNCO-05176":"1.121672096","UNCO-05177":"2.500412257","UNCO-05178":"1.040157874","UNCO-05179":"1.000500115","UNCO-05180":"0.930096554","UNCO-05181":"0.726500232","UNCO-05182":"NA"},{"Metabolite":"3-bromo-5-chloro-2,6-dihydroxybenzoic acid*","UNCO-05151":"0.367898584","UNCO-05152":"NA","UNCO-05153":"1.351253227","UNCO-05154":"1.612898946","UNCO-05155":"1.113224616","UNCO-05156":"0.584794828","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.93035486","UNCO-05160":"1.214737172","UNCO-05161":"1.058753287","UNCO-05162":"0.574108026","UNCO-05163":"0.598895134","UNCO-05164":"0.688973054","UNCO-05165":"1.386666827","UNCO-05166":"2.833088076","UNCO-05167":"0.969869491","UNCO-05168":"1.105601525","UNCO-05169":"1.411538369","UNCO-05170":"1.581321014","UNCO-05171":"1.167285842","UNCO-05173":"0.900393216","UNCO-05174":"1.30311437","UNCO-05175":"0.889079198","UNCO-05176":"1","UNCO-05177":"0.956022483","UNCO-05178":"0.87314549","UNCO-05179":"NA","UNCO-05180":"0.810098183","UNCO-05181":"1.20821171","UNCO-05182":"0.836947869"},{"Metabolite":"branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*","UNCO-05151":"1.21490872","UNCO-05152":"NA","UNCO-05153":"1.430528849","UNCO-05154":"NA","UNCO-05155":"0.76971449","UNCO-05156":"0.881566862","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"0.986637894","UNCO-05161":"1.942277575","UNCO-05162":"NA","UNCO-05163":"1.013362106","UNCO-05164":"NA","UNCO-05165":"1.354033111","UNCO-05166":"1.147394175","UNCO-05167":"0.717751738","UNCO-05168":"0.8532399","UNCO-05169":"2.327007266","UNCO-05170":"1.529975774","UNCO-05171":"0.975318201","UNCO-05173":"0.540134844","UNCO-05174":"0.605135271","UNCO-05175":"0.676631119","UNCO-05176":"1.107367321","UNCO-05177":"1.914958725","UNCO-05178":"1.059729714","UNCO-05179":"0.213860246","UNCO-05180":"0.477440874","UNCO-05181":"NA","UNCO-05182":"NA"},{"Metabolite":"decadienedioic acid (C10:2-DC)**","UNCO-05151":"NA","UNCO-05152":"5.240426165","UNCO-05153":"3.963494461","UNCO-05154":"4.475233452","UNCO-05155":"NA","UNCO-05156":"2.795040282","UNCO-05157":"NA","UNCO-05158":"0.915684794","UNCO-05159":"3.389274924","UNCO-05160":"3.249638378","UNCO-05161":"1.668614392","UNCO-05162":"NA","UNCO-05163":"1.569204889","UNCO-05164":"4.973423052","UNCO-05165":"1","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.408626293","UNCO-05169":"0.463434954","UNCO-05170":"NA","UNCO-05171":"0.303062346","UNCO-05173":"NA","UNCO-05174":"0.431156733","UNCO-05175":"0.335812048","UNCO-05176":"NA","UNCO-05177":"0.63878971","UNCO-05178":"0.215513137","UNCO-05179":"NA","UNCO-05180":"0.356435961","UNCO-05181":"0.216799414","UNCO-05182":"4.708436327"},{"Metabolite":"cis-3,4-methyleneheptanoate","UNCO-05151":"0.643344582","UNCO-05152":"1.291981129","UNCO-05153":"0.40645385","UNCO-05154":"1.013147344","UNCO-05155":"0.591801122","UNCO-05156":"0.330032277","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.050187439","UNCO-05160":"0.986852656","UNCO-05161":"0.814335284","UNCO-05162":"0.224886555","UNCO-05163":"1.073810454","UNCO-05164":"1.280703589","UNCO-05165":"0.47567879","UNCO-05166":"1.069531375","UNCO-05167":"1.074691226","UNCO-05168":"0.732706151","UNCO-05169":"1.204050813","UNCO-05170":"0.836035282","UNCO-05171":"1.023962479","UNCO-05173":"0.81201592","UNCO-05174":"0.910919176","UNCO-05175":"1.375437863","UNCO-05176":"1.505769968","UNCO-05177":"2.059422691","UNCO-05178":"1.517854882","UNCO-05179":"NA","UNCO-05180":"1.475350336","UNCO-05181":"0.947170248","UNCO-05182":"0.507676471"},{"Metabolite":"4-chlorobenzoic acid","UNCO-05151":"1.012316791","UNCO-05152":"0.912981754","UNCO-05153":"1","UNCO-05154":"0.948514109","UNCO-05155":"1.074879935","UNCO-05156":"1.099258078","UNCO-05157":"0.899374663","UNCO-05158":"1.014756571","UNCO-05159":"0.985213956","UNCO-05160":"0.976718939","UNCO-05161":"0.885199382","UNCO-05162":"1.089115801","UNCO-05163":"0.917815464","UNCO-05164":"0.885289441","UNCO-05165":"0.866948524","UNCO-05166":"1.028054186","UNCO-05167":"1.025262358","UNCO-05168":"0.926105801","UNCO-05169":"0.878837945","UNCO-05170":"1.020487596","UNCO-05171":"1.017161964","UNCO-05173":"1.006448222","UNCO-05174":"0.91417872","UNCO-05175":"1.309424589","UNCO-05176":"1.024879198","UNCO-05177":"1.074986368","UNCO-05178":"0.965044022","UNCO-05179":"1.24540249","UNCO-05180":"0.921740398","UNCO-05181":"1.058443355","UNCO-05182":"0.788724945"},{"Metabolite":"2-methoxyhydroquinone sulfate (1)","UNCO-05151":"NA","UNCO-05152":"1.937233727","UNCO-05153":"NA","UNCO-05154":"0.378297335","UNCO-05155":"0.834450382","UNCO-05156":"NA","UNCO-05157":"0.844897202","UNCO-05158":"NA","UNCO-05159":"2.765571885","UNCO-05160":"0.792017368","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"1.073287315","UNCO-05167":"9.204215839","UNCO-05168":"1.85434944","UNCO-05169":"4.600081645","UNCO-05170":"2.544381355","UNCO-05171":"0.926712685","UNCO-05173":"0.364131968","UNCO-05174":"0.768184517","UNCO-05175":"0.792165813","UNCO-05176":"3.263549321","UNCO-05177":"0.755993468","UNCO-05178":"6.235582276","UNCO-05179":"0.643216062","UNCO-05180":"0.357136495","UNCO-05181":"3.031789505","UNCO-05182":"2.285515475"},{"Metabolite":"2,4-di-tert-butylphenol","UNCO-05151":"0.657398577","UNCO-05152":"0.47506714","UNCO-05153":"0.789359463","UNCO-05154":"0.780924606","UNCO-05155":"1.100237189","UNCO-05156":"0.644278805","UNCO-05157":"0.738951117","UNCO-05158":"0.759351388","UNCO-05159":"1.599502434","UNCO-05160":"0.728231181","UNCO-05161":"0.668065589","UNCO-05162":"1.034634968","UNCO-05163":"0.708309212","UNCO-05164":"0.667082907","UNCO-05165":"0.790902524","UNCO-05166":"1","UNCO-05167":"1.748516996","UNCO-05168":"1.779209351","UNCO-05169":"1.243172566","UNCO-05170":"2.140145685","UNCO-05171":"0.875822438","UNCO-05173":"1.934081424","UNCO-05174":"1.254170376","UNCO-05175":"1.457892288","UNCO-05176":"1.499806334","UNCO-05177":"0.911986542","UNCO-05178":"1.696558769","UNCO-05179":"1.205181809","UNCO-05180":"1.121793289","UNCO-05181":"1.426587132","UNCO-05182":"0.463669243"},{"Metabolite":"cis-3,4-methyleneheptanoylglycine","UNCO-05151":"0.914334851","UNCO-05152":"2.297555191","UNCO-05153":"1.434089737","UNCO-05154":"0.946540066","UNCO-05155":"0.522586193","UNCO-05156":"1.028184542","UNCO-05157":"0.058735144","UNCO-05158":"0.500469773","UNCO-05159":"1.453412866","UNCO-05160":"1.778470116","UNCO-05161":"1.261470506","UNCO-05162":"0.311465527","UNCO-05163":"0.974806072","UNCO-05164":"1.346505671","UNCO-05165":"1.242918564","UNCO-05166":"1.116684619","UNCO-05167":"1.482725224","UNCO-05168":"1.455701083","UNCO-05169":"1.31941998","UNCO-05170":"0.996864562","UNCO-05171":"0.78891192","UNCO-05173":"0.443706044","UNCO-05174":"0.340537116","UNCO-05175":"1.030650169","UNCO-05176":"1","UNCO-05177":"1.578511753","UNCO-05178":"0.789056744","UNCO-05179":"0.104059595","UNCO-05180":"0.505857222","UNCO-05181":"0.309352909","UNCO-05182":"2.16382842"},{"Metabolite":"bilirubin degradation product, C17H18N2O4 (1)**","UNCO-05151":"1.56667381","UNCO-05152":"1.193209075","UNCO-05153":"1.228286829","UNCO-05154":"2.161650457","UNCO-05155":"1.00486689","UNCO-05156":"0.221026514","UNCO-05157":"1.324640922","UNCO-05158":"1.338485093","UNCO-05159":"1.208013715","UNCO-05160":"2.163261565","UNCO-05161":"1.355112558","UNCO-05162":"0.525833245","UNCO-05163":"2.135821084","UNCO-05164":"1.375266904","UNCO-05165":"1.063295388","UNCO-05166":"0.686538725","UNCO-05167":"0.210505253","UNCO-05168":"0.427354245","UNCO-05169":"0.766280844","UNCO-05170":"0.200167307","UNCO-05171":"0.99513311","UNCO-05173":"0.698931866","UNCO-05174":"0.693951372","UNCO-05175":"0.253261591","UNCO-05176":"0.683135775","UNCO-05177":"0.848078159","UNCO-05178":"0.414230425","UNCO-05179":"NA","UNCO-05180":"1.197890068","UNCO-05181":"0.812158705","UNCO-05182":"1.550970667"},{"Metabolite":"bilirubin degradation product, C17H18N2O4 (2)**","UNCO-05151":"1.646396081","UNCO-05152":"1.255955863","UNCO-05153":"1.299100981","UNCO-05154":"2.249809386","UNCO-05155":"1.008377303","UNCO-05156":"0.305342309","UNCO-05157":"1.383325166","UNCO-05158":"1.422408709","UNCO-05159":"1.055715938","UNCO-05160":"2.368010959","UNCO-05161":"1.473705555","UNCO-05162":"0.603879048","UNCO-05163":"2.181615656","UNCO-05164":"1.364950185","UNCO-05165":"1.120569204","UNCO-05166":"0.684223455","UNCO-05167":"0.263121382","UNCO-05168":"0.445926325","UNCO-05169":"0.811406704","UNCO-05170":"0.264393968","UNCO-05171":"1","UNCO-05173":"0.691157318","UNCO-05174":"0.595878109","UNCO-05175":"0.245077772","UNCO-05176":"0.713560433","UNCO-05177":"0.952715479","UNCO-05178":"0.430699673","UNCO-05179":"0.069561775","UNCO-05180":"1.083276281","UNCO-05181":"0.758125279","UNCO-05182":"1.212387562"},{"Metabolite":"bilirubin degradation product, C17H18N2O4 (3)**","UNCO-05151":"1.626450742","UNCO-05152":"1","UNCO-05153":"1.234904062","UNCO-05154":"2.149458302","UNCO-05155":"1.033865937","UNCO-05156":"0.252918758","UNCO-05157":"1.354352762","UNCO-05158":"1.331108723","UNCO-05159":"1.099853109","UNCO-05160":"2.250014296","UNCO-05161":"1.409585798","UNCO-05162":"0.596818792","UNCO-05163":"2.112551495","UNCO-05164":"1.347909454","UNCO-05165":"1.060090684","UNCO-05166":"0.640478057","UNCO-05167":"0.282899173","UNCO-05168":"0.385314237","UNCO-05169":"0.785948382","UNCO-05170":"0.230554516","UNCO-05171":"1.111942726","UNCO-05173":"0.684602537","UNCO-05174":"0.628695208","UNCO-05175":"0.252269484","UNCO-05176":"0.675901062","UNCO-05177":"0.903614257","UNCO-05178":"0.43338321","UNCO-05179":"0.038904667","UNCO-05180":"1.044238847","UNCO-05181":"0.782109917","UNCO-05182":"1.128272881"},{"Metabolite":"bilirubin degradation product, C17H20N2O5 (1)**","UNCO-05151":"2.391969993","UNCO-05152":"1.459141632","UNCO-05153":"1.201227706","UNCO-05154":"3.763660961","UNCO-05155":"1.227755813","UNCO-05156":"0.278228284","UNCO-05157":"1.833322886","UNCO-05158":"1.301140061","UNCO-05159":"1.19991247","UNCO-05160":"2.351733342","UNCO-05161":"2.389674599","UNCO-05162":"0.706279512","UNCO-05163":"1.960866597","UNCO-05164":"1.375271966","UNCO-05165":"1.065028966","UNCO-05166":"0.763894603","UNCO-05167":"0.101957012","UNCO-05168":"0.606683998","UNCO-05169":"0.934971034","UNCO-05170":"0.074763309","UNCO-05171":"1.733118762","UNCO-05173":"0.576711659","UNCO-05174":"0.405393608","UNCO-05175":"0.131338976","UNCO-05176":"0.403237259","UNCO-05177":"1.259893619","UNCO-05178":"0.169451191","UNCO-05179":"NA","UNCO-05180":"0.920316523","UNCO-05181":"0.579800298","UNCO-05182":"0.659453003"},{"Metabolite":"bilirubin degradation product, C17H20N2O5 (2)**","UNCO-05151":"2.101281244","UNCO-05152":"1.253157102","UNCO-05153":"1.19145788","UNCO-05154":"3.495447","UNCO-05155":"1.242172116","UNCO-05156":"0.27796856","UNCO-05157":"1.805822098","UNCO-05158":"1.356199552","UNCO-05159":"1.125522196","UNCO-05160":"2.357738076","UNCO-05161":"2.274125931","UNCO-05162":"0.688535421","UNCO-05163":"2.013533857","UNCO-05164":"1.398337805","UNCO-05165":"1.104822058","UNCO-05166":"0.697300958","UNCO-05167":"0.118576755","UNCO-05168":"0.630128566","UNCO-05169":"0.895177942","UNCO-05170":"0.090447166","UNCO-05171":"1.761574815","UNCO-05173":"0.594392854","UNCO-05174":"0.41516587","UNCO-05175":"0.148077397","UNCO-05176":"0.437803886","UNCO-05177":"1.165431799","UNCO-05178":"0.172390123","UNCO-05179":"NA","UNCO-05180":"0.892266525","UNCO-05181":"0.589239903","UNCO-05182":"0.690116273"},{"Metabolite":"N-lactoyl isoleucine","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"0.81395002","UNCO-05154":"NA","UNCO-05155":"NA","UNCO-05156":"NA","UNCO-05157":"1.096160408","UNCO-05158":"NA","UNCO-05159":"NA","UNCO-05160":"0.644528752","UNCO-05161":"0.559249421","UNCO-05162":"NA","UNCO-05163":"1.093041419","UNCO-05164":"NA","UNCO-05165":"1.100932411","UNCO-05166":"0.695398101","UNCO-05167":"1.529841447","UNCO-05168":"1.088855806","UNCO-05169":"0.948157547","UNCO-05170":"1.343116613","UNCO-05171":"0.974206414","UNCO-05173":"1.063959499","UNCO-05174":"0.730798881","UNCO-05175":"1.223781155","UNCO-05176":"0.633705809","UNCO-05177":"NA","UNCO-05178":"1.031050877","UNCO-05179":"0.174804937","UNCO-05180":"0.703718775","UNCO-05181":"1.025793586","UNCO-05182":"NA"},{"Metabolite":"N-lactoyl leucine","UNCO-05151":"1.101990998","UNCO-05152":"1.625124522","UNCO-05153":"1.210251133","UNCO-05154":"1.45759676","UNCO-05155":"1.494697056","UNCO-05156":"2.170703919","UNCO-05157":"1","UNCO-05158":"0.670639119","UNCO-05159":"2.78725746","UNCO-05160":"0.873783553","UNCO-05161":"0.626381831","UNCO-05162":"2.317441588","UNCO-05163":"1.447557628","UNCO-05164":"0.913528068","UNCO-05165":"1.256268654","UNCO-05166":"0.557616683","UNCO-05167":"1.366950561","UNCO-05168":"0.627993122","UNCO-05169":"0.96383785","UNCO-05170":"1.206997603","UNCO-05171":"0.662317666","UNCO-05173":"0.573762469","UNCO-05174":"0.507626065","UNCO-05175":"1.061376038","UNCO-05176":"0.632045526","UNCO-05177":"0.53865259","UNCO-05178":"1.048851303","UNCO-05179":"0.112999224","UNCO-05180":"0.48297313","UNCO-05181":"0.833307865","UNCO-05182":"2.208030531"},{"Metabolite":"N-lactoyl phenylalanine","UNCO-05151":"0.869960213","UNCO-05152":"1.461722488","UNCO-05153":"1.346021763","UNCO-05154":"1.262221108","UNCO-05155":"1.242400662","UNCO-05156":"1.801446125","UNCO-05157":"1.290451201","UNCO-05158":"0.650027439","UNCO-05159":"3.106112054","UNCO-05160":"1.098589889","UNCO-05161":"0.7416418","UNCO-05162":"1.498135","UNCO-05163":"1.448517432","UNCO-05164":"0.886745211","UNCO-05165":"1.61429876","UNCO-05166":"0.572329835","UNCO-05167":"1.265044331","UNCO-05168":"0.987708151","UNCO-05169":"0.978194509","UNCO-05170":"1.244576495","UNCO-05171":"0.74956269","UNCO-05173":"0.647272813","UNCO-05174":"0.493341737","UNCO-05175":"1.220927441","UNCO-05176":"0.726016532","UNCO-05177":"0.448815404","UNCO-05178":"0.997905627","UNCO-05179":"0.163260363","UNCO-05180":"0.714811528","UNCO-05181":"1","UNCO-05182":"2.098589889"},{"Metabolite":"N-lactoyl valine","UNCO-05151":"1","UNCO-05152":"1.37172811","UNCO-05153":"1.259074434","UNCO-05154":"1.177565864","UNCO-05155":"1.353090158","UNCO-05156":"1.598709711","UNCO-05157":"1.435258281","UNCO-05158":"0.660048137","UNCO-05159":"2.188106535","UNCO-05160":"0.911855312","UNCO-05161":"0.709338052","UNCO-05162":"1.812356167","UNCO-05163":"1.208321326","UNCO-05164":"0.918247903","UNCO-05165":"1.474147553","UNCO-05166":"0.690194781","UNCO-05167":"1.716493695","UNCO-05168":"0.904707788","UNCO-05169":"1.456004773","UNCO-05170":"1.734011421","UNCO-05171":"0.749913751","UNCO-05173":"0.786278457","UNCO-05174":"0.709443581","UNCO-05175":"0.961084346","UNCO-05176":"0.86262222","UNCO-05177":"0.49153134","UNCO-05178":"1.181364889","UNCO-05179":"0.229193641","UNCO-05180":"0.584786041","UNCO-05181":"0.957049911","UNCO-05182":"1.599093267"}],

"Metabolites":[{"Metabolite":"12,13-DiHOME","CHEM_ID":"62","LIB_ID":"209","COMP_ID":"38395","CHRO_LIB_ENTRY_ID":"143675","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","PATHWAY_SORTORDER":"2048","TYPE":"NAMED","INCHIKEY":"CQSLTKIXAJTQGA-FLIBITNWSA-N","SMILES":"CCCCCC(C(C/C=C\\CCCCCCCC(O)=O)O)O","PLOT_NAME":"12,13-DiHOME","CAS":"263399-35-5","CHEMSPIDER":"8412123","HMDB":"HMDB0004705","KEGG":"C14829","PUBCHEM":"10236635","PLATFORM":"Neg","metab.id":"M0000000062"},{"Metabolite":"5-hydroxyindoleacetate","CHEM_ID":"71","LIB_ID":"209","COMP_ID":"437","CHRO_LIB_ENTRY_ID":"123157","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"295","TYPE":"NAMED","INCHIKEY":"DUUGKQCEGZLZNO-UHFFFAOYSA-N","SMILES":"OC1=CC=C(NC=C2CC(O)=O)C2=C1","PLOT_NAME":"5-hydroxyindoleacetate","CAS":"54-16-0","CHEMSPIDER":"1760","HMDB":"HMDB0000763","KEGG":"C05635","PUBCHEM":"1826","PLATFORM":"Neg","metab.id":"M0000000071"},{"Metabolite":"kynurenate","CHEM_ID":"98","LIB_ID":"209","COMP_ID":"1417","CHRO_LIB_ENTRY_ID":"124553","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"277","TYPE":"NAMED","INCHIKEY":"HCZHHEIFKROPDY-UHFFFAOYSA-N","SMILES":"OC1=C(C=CC=C2)C2=NC(C(O)=O)=C1","PLOT_NAME":"kynurenate","CAS":"492-27-3","CHEMSPIDER":"3712","HMDB":"HMDB0000715","KEGG":"C01717","PUBCHEM":"3845","PLATFORM":"Neg","metab.id":"M0000000098"},{"Metabolite":"guanosine-3'',5''-cyclic monophosphate (cGMP)","CHEM_ID":"104","LIB_ID":"209","COMP_ID":"2827","CHRO_LIB_ENTRY_ID":"150340","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, Guanine containing","PATHWAY_SORTORDER":"4199","TYPE":"NAMED","INCHIKEY":"ZOOGRGPOEVQQDX-UHFFFAOYSA-N","SMILES":"NC1=NC2=C(C(N1)=O)N=CN2C3OC4COP(O)(OC4C3O)=O","PLOT_NAME":"guanosine-3'',5''-cyclic monophosphate (cGMP)","CAS":"7665-99-8","CHEMSPIDER":"289","HMDB":"HMDB0001314","KEGG":"C00942","PUBCHEM":"135398569","PLATFORM":"Neg","metab.id":"M0000000104"},{"Metabolite":"cholate","CHEM_ID":"136","LIB_ID":"209","COMP_ID":"22842","CHRO_LIB_ENTRY_ID":"124689","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3473","TYPE":"NAMED","INCHIKEY":"BHQCQFFYRZLCQQ-OLRQUHAPSA-N","SMILES":"O[C@H]1[C@@]2([H])[C@]3([H])CC[C@H]([C@H](C)CCC(O)=O)[C@@]3(C)[C@@H](O)C[C@]2([H])[C@@]4(C)CC[C@@H](O)CC4C1","PLOT_NAME":"cholate","CAS":"81-25-4","CHEMSPIDER":"NA","HMDB":"HMDB0000619","KEGG":"C00695","PUBCHEM":"221493","PLATFORM":"Neg","metab.id":"M0000000136"},{"Metabolite":"4-hydroxyphenylacetate","CHEM_ID":"144","LIB_ID":"209","COMP_ID":"541","CHRO_LIB_ENTRY_ID":"123169","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Phenylalanine Metabolism","PATHWAY_SORTORDER":"164","TYPE":"NAMED","INCHIKEY":"XQXPVVBIMDBYFF-UHFFFAOYSA-N","SMILES":"OC(CC1=CC=C(C=C1)O)=O","PLOT_NAME":"4-hydroxyphenylacetate","CAS":"156-38-7","CHEMSPIDER":"3881560","HMDB":"HMDB0000020","KEGG":"C00642","PUBCHEM":"127","PLATFORM":"Neg","metab.id":"M0000000144"},{"Metabolite":"9,10-DiHOME","CHEM_ID":"179","LIB_ID":"209","COMP_ID":"38399","CHRO_LIB_ENTRY_ID":"143740","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","PATHWAY_SORTORDER":"2049","TYPE":"NAMED","INCHIKEY":"XEBKSQSGNGRGDW-YFHOEESVSA-N","SMILES":"CCCCC/C=C\\CC(C(CCCCCCCC(O)=O)O)O","PLOT_NAME":"9,10-DiHOME","CAS":"263399-34-4","CHEMSPIDER":"8142232","HMDB":"HMDB0004704","KEGG":"C14828","PUBCHEM":"9966640","PLATFORM":"Neg","metab.id":"M0000000179"},{"Metabolite":"linoleate (18:2n6)","CHEM_ID":"180","LIB_ID":"209","COMP_ID":"1105","CHRO_LIB_ENTRY_ID":"125969","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1585","TYPE":"NAMED","INCHIKEY":"OYHQOLUKZRVURQ-HZJYTTRNSA-N","SMILES":"OC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O","PLOT_NAME":"linoleate (18:2n6)","CAS":"60-33-3","CHEMSPIDER":"4444105","HMDB":"HMDB0006270,HMDB0000673","KEGG":"C01595","PUBCHEM":"5280450","PLATFORM":"Neg","metab.id":"M0000000180"},{"Metabolite":"laurate (12:0)","CHEM_ID":"181","LIB_ID":"209","COMP_ID":"1645","CHRO_LIB_ENTRY_ID":"125740","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1520","TYPE":"NAMED","INCHIKEY":"POULHZVOKOAJMA-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCC","PLOT_NAME":"laurate (12:0)","CAS":"143-07-7","CHEMSPIDER":"3756","HMDB":"HMDB0000638","KEGG":"C02679","PUBCHEM":"3893","PLATFORM":"Neg","metab.id":"M0000000181"},{"Metabolite":"N-formylkynurenine","CHEM_ID":"186","LIB_ID":"209","COMP_ID":"64334","CHRO_LIB_ENTRY_ID":"237350","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"271","TYPE":"NAMED","INCHIKEY":"BYHJHXPTQMMKCA-UHFFFAOYSA-N","SMILES":"NC(C(O)=O)CC(C1=CC=CC=C1NC=O)=O","PLOT_NAME":"N-formylkynurenine","CAS":"1022-31-7","CHEMSPIDER":"886","HMDB":"HMDB01200","KEGG":"C15605,C02406,C02700","PUBCHEM":"910","PLATFORM":"Neg","metab.id":"M0000000186"},{"Metabolite":"N-formylmethionine","CHEM_ID":"194","LIB_ID":"209","COMP_ID":"2829","CHRO_LIB_ENTRY_ID":"124831","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"443","TYPE":"NAMED","INCHIKEY":"PYUSHNKNPOHWEZ-UHFFFAOYSA-N","SMILES":"CSCCC(C(O)=O)NC=O","PLOT_NAME":"N-formylmethionine","CAS":"4289-98-9","CHEMSPIDER":"388809","HMDB":"HMDB0001015","KEGG":"C03145","PUBCHEM":"439750","PLATFORM":"Neg","metab.id":"M0000000194"},{"Metabolite":"S-adenosylhomocysteine (SAH)","CHEM_ID":"197","LIB_ID":"209","COMP_ID":"42382","CHRO_LIB_ENTRY_ID":"124939","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"452","TYPE":"NAMED","INCHIKEY":"ZJUKTBDSGOFHSH-UHFFFAOYSA-N","SMILES":"OC1C(N2C=NC3=C2N=CN=C3N)OC(CSCCC(N)C(O)=O)C1O","PLOT_NAME":"S-adenosylhomocysteine (SAH)","CAS":"979-92-0","CHEMSPIDER":"16788012","HMDB":"HMDB0000939","KEGG":"C00021","PUBCHEM":"439155","PLATFORM":"Neg","metab.id":"M0000000197"},{"Metabolite":"adenosine 3'',5''-cyclic monophosphate (cAMP)","CHEM_ID":"207","LIB_ID":"209","COMP_ID":"2831","CHRO_LIB_ENTRY_ID":"123233","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, Adenine containing","PATHWAY_SORTORDER":"4162","TYPE":"NAMED","INCHIKEY":"IVOMOUWHDPKRLL-UHFFFAOYSA-N","SMILES":"NC1=NC=NC2=C1N=CN2C3OC(CO4)C(OP4(O)=O)C3O","PLOT_NAME":"adenosine 3'',5''-cyclic monophosphate (cAMP)","CAS":"60-92-4","CHEMSPIDER":"268","HMDB":"HMDB0000058","KEGG":"C00575","PUBCHEM":"6076","PLATFORM":"Neg","metab.id":"M0000000207"},{"Metabolite":"adenosine 5''-diphosphoribose (ADP-ribose)","CHEM_ID":"215","LIB_ID":"209","COMP_ID":"558","CHRO_LIB_ENTRY_ID":"125963","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Nicotinate and Nicotinamide Metabolism","PATHWAY_SORTORDER":"4346","TYPE":"NAMED","INCHIKEY":"SDMADEZQMYCSNO-UHFFFAOYSA-N","SMILES":"NC1=NC=NC2=C1N=CN2C3OC(C(C3O)O)COP(O)(OP(O)(OC4OC(C(C4O)O)CO)=O)=O","PLOT_NAME":"adenosine 5''-diphosphoribose (ADP-ribose)","CAS":"68414-18-6","CHEMSPIDER":"3674071","HMDB":"HMDB0001178","KEGG":"C00301","PUBCHEM":"192","PLATFORM":"Neg","metab.id":"M0000000215"},{"Metabolite":"arachidonate (20:4n6)","CHEM_ID":"229","LIB_ID":"209","COMP_ID":"1110","CHRO_LIB_ENTRY_ID":"125971","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1591","TYPE":"NAMED","INCHIKEY":"YZXBAPSDXZZRGB-DOFZRALJSA-N","SMILES":"CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCC(O)=O","PLOT_NAME":"arachidonate (20:4n6)","CAS":"506-32-1","CHEMSPIDER":"392692","HMDB":"HMDB0001043","KEGG":"C00219","PUBCHEM":"444899","PLATFORM":"Neg","metab.id":"M0000000229"},{"Metabolite":"3-(4-hydroxyphenyl)lactate","CHEM_ID":"240","LIB_ID":"209","COMP_ID":"32197","CHRO_LIB_ENTRY_ID":"123321","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"186","TYPE":"NAMED","INCHIKEY":"JVGVDSSUAVXRDY-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CC1=CC=C(O)C=C1","PLOT_NAME":"3-(4-hydroxyphenyl)lactate (HPLA)","CAS":"6482-98-0","CHEMSPIDER":"9010","HMDB":"HMDB0000755","KEGG":"C03672","PUBCHEM":"9378","PLATFORM":"Neg","metab.id":"M0000000240"},{"Metabolite":"corticosterone","CHEM_ID":"272","LIB_ID":"209","COMP_ID":"5983","CHRO_LIB_ENTRY_ID":"126005","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Corticosteroids","PATHWAY_SORTORDER":"3317","TYPE":"NAMED","INCHIKEY":"OMFXVFTZEKFJBZ-UHFFFAOYSA-N","SMILES":"CC(C(CC1)=CC2=O)(CC2)C3C1C(CCC4C(CO)=O)C4(C)CC3O","PLOT_NAME":"corticosterone","CAS":"50-22-6","CHEMSPIDER":"5550","HMDB":"HMDB0001547","KEGG":"C02140","PUBCHEM":"5753","PLATFORM":"Neg","metab.id":"M0000000272"},{"Metabolite":"deoxycholate","CHEM_ID":"302","LIB_ID":"209","COMP_ID":"1114","CHRO_LIB_ENTRY_ID":"125714","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3499","TYPE":"NAMED","INCHIKEY":"KXGVEGMKQFWNSR-OHAQSFBXSA-N","SMILES":"CC12[C@@]([C@]3([H])CC[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)([H])CC[C@]1([H])[C@]([H])(C)CCC(O)=O","PLOT_NAME":"deoxycholate","CAS":"83-44-3","CHEMSPIDER":"389318","HMDB":"HMDB0000626","KEGG":"C04483","PUBCHEM":"222,528,440,355","PLATFORM":"Neg","metab.id":"M0000000302"},{"Metabolite":"flavin adenine dinucleotide (FAD)","CHEM_ID":"327","LIB_ID":"209","COMP_ID":"2134","CHRO_LIB_ENTRY_ID":"124607","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Riboflavin Metabolism","PATHWAY_SORTORDER":"4353","TYPE":"NAMED","INCHIKEY":"VWWQXMAJTJZDQX-KUIMXZBMSA-N","SMILES":"OC(C(O)C(O)COP(OP(OC[C@H]1O[C@@H](N(C=N2)C3=C2C(N)=NC=N3)[C@H](O)[C@@H]1O)(O)=O)(O)=O)CN(C(C=C(C)C(C)=C4)=C4N=C5C(N6)=O)C5=NC6=O","PLOT_NAME":"FAD","CAS":"146-14-5,84366-81-4","CHEMSPIDER":"559059","HMDB":"HMDB0001248","KEGG":"C00016","PUBCHEM":"643975","PLATFORM":"Neg","metab.id":"M0000000327"},{"Metabolite":"glycocholate","CHEM_ID":"342","LIB_ID":"209","COMP_ID":"18476","CHRO_LIB_ENTRY_ID":"126842","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3474","TYPE":"NAMED","INCHIKEY":"RFDAIACWWDREDC-FRVQLJSFSA-N","SMILES":"O=C(CNC(CC[C@H]([C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C[C@@H](O)[C@@]3([H])[C@]2([H])CC1)C)=O)O","PLOT_NAME":"glycocholate","CAS":"475-31-0,863-57-0","CHEMSPIDER":"9734","HMDB":"HMDB0000138","KEGG":"C01921","PUBCHEM":"10140","PLATFORM":"Neg","metab.id":"M0000000342"},{"Metabolite":"histidine","CHEM_ID":"355","LIB_ID":"209","COMP_ID":"59","CHRO_LIB_ENTRY_ID":"123153","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Histidine Metabolism","PATHWAY_SORTORDER":"72","TYPE":"NAMED","INCHIKEY":"HNDVDQJCIGZPNO-UHFFFAOYSA-N","SMILES":"NC(C(O)=O)CC1=CN=CN1","PLOT_NAME":"histidine","CAS":"5934-29-2","CHEMSPIDER":"752","HMDB":"HMDB0000177","KEGG":"C00135","PUBCHEM":"6274","PLATFORM":"Neg","metab.id":"M0000000355"},{"Metabolite":"inosine","CHEM_ID":"361","LIB_ID":"209","COMP_ID":"1123","CHRO_LIB_ENTRY_ID":"123191","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, (Hypo)Xanthine/Inosine containing","PATHWAY_SORTORDER":"4139","TYPE":"NAMED","INCHIKEY":"UGQMRVRMYYASKQ-KQYNXXCUSA-N","SMILES":"O[C@H]1[C@H](N2C(N=CN=C3O)=C3N=C2)O[C@H](CO)[C@H]1O","PLOT_NAME":"inosine","CAS":"58-63-9","CHEMSPIDER":"21241953","HMDB":"HMDB0000195","KEGG":"C00294","PUBCHEM":"6021","PLATFORM":"Neg","metab.id":"M0000000361"},{"Metabolite":"lithocholate","CHEM_ID":"405","LIB_ID":"209","COMP_ID":"1483","CHRO_LIB_ENTRY_ID":"125730","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3514","TYPE":"NAMED","INCHIKEY":"SMEROWZSTRWXGI-UHFFFAOYSA-N","SMILES":"O=C(CCC(C(CCC1C2CCC3CC4O)C1(CCC2C3(CC4)C)C)C)O","PLOT_NAME":"lithocholate","CAS":"434-13-9","CHEMSPIDER":"9519","HMDB":"HMDB0000761","KEGG":"C03990","PUBCHEM":"9903","PLATFORM":"Neg","metab.id":"M0000000405"},{"Metabolite":"malate","CHEM_ID":"409","LIB_ID":"209","COMP_ID":"1303","CHRO_LIB_ENTRY_ID":"123199","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1469","TYPE":"NAMED","INCHIKEY":"BJEPYKJPYRNKOW-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CC(O)=O","PLOT_NAME":"malate","CAS":"6915-15-7","CHEMSPIDER":"510","HMDB":"HMDB0031518,HMDB0000156,HMDB0000744","KEGG":"C00149,C00711,C00497","PUBCHEM":"525","PLATFORM":"Neg","metab.id":"M0000000409"},{"Metabolite":"palmitate (16:0)","CHEM_ID":"424","LIB_ID":"209","COMP_ID":"1336","CHRO_LIB_ENTRY_ID":"125720","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1528","TYPE":"NAMED","INCHIKEY":"IPCSVZSSVZVIGE-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCCCCCCCC)=O","PLOT_NAME":"palmitate (16:0)","CAS":"57-10-3","CHEMSPIDER":"960","HMDB":"HMDB0000220","KEGG":"C00249","PUBCHEM":"985","PLATFORM":"Neg","metab.id":"M0000000424"},{"Metabolite":"pelargonate (9:0)","CHEM_ID":"437","LIB_ID":"209","COMP_ID":"12035","CHRO_LIB_ENTRY_ID":"125748","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1510","TYPE":"NAMED","INCHIKEY":"FBUKVWPVBMHYJY-UHFFFAOYSA-N","SMILES":"CCCCCCCCC(O)=O","PLOT_NAME":"pelargonate (9:0)","CAS":"112-05-0","CHEMSPIDER":"4574394","HMDB":"HMDB0000847","KEGG":"C01601","PUBCHEM":"8158","PLATFORM":"Neg","metab.id":"M0000000437"},{"Metabolite":"stearate (18:0)","CHEM_ID":"439","LIB_ID":"209","COMP_ID":"1358","CHRO_LIB_ENTRY_ID":"125724","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1532","TYPE":"NAMED","INCHIKEY":"QIQXTHQIDYTFRH-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"stearate (18:0)","CAS":"57-11-4","CHEMSPIDER":"5091","HMDB":"HMDB0000827","KEGG":"C01530","PUBCHEM":"5281","PLATFORM":"Neg","metab.id":"M0000000439"},{"Metabolite":"palmitoleate (16:1n7)","CHEM_ID":"452","LIB_ID":"209","COMP_ID":"33447","CHRO_LIB_ENTRY_ID":"126083","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1547","TYPE":"NAMED","INCHIKEY":"SECPZKHBENQXJG-FPLPWBNLSA-N","SMILES":"CCCCCC\\C=C/CCCCCCCC(O)=O","PLOT_NAME":"palmitoleate (16:1n7)","CAS":"373-49-9","CHEMSPIDER":"393216","HMDB":"HMDB0003229","KEGG":"C08362","PUBCHEM":"445638","PLATFORM":"Neg","metab.id":"M0000000452"},{"Metabolite":"phosphoenolpyruvate (PEP)","CHEM_ID":"463","LIB_ID":"209","COMP_ID":"597","CHRO_LIB_ENTRY_ID":"124535","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","PATHWAY_SORTORDER":"1255","TYPE":"NAMED","INCHIKEY":"DTBNBXWJWCWCIK-UHFFFAOYSA-N","SMILES":"O=P(O)(OC(C(O)=O)=C)O","PLOT_NAME":"phosphoenolpyruvate (PEP)","CAS":"10526-80-4","CHEMSPIDER":"980","HMDB":"HMDB0000263","KEGG":"C00074","PUBCHEM":"1005","PLATFORM":"Neg","metab.id":"M0000000463"},{"Metabolite":"pyridoxal","CHEM_ID":"491","LIB_ID":"209","COMP_ID":"1651","CHRO_LIB_ENTRY_ID":"123217","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Vitamin B6 Metabolism","PATHWAY_SORTORDER":"4471","TYPE":"NAMED","INCHIKEY":"RADKZDMFGJYCBB-UHFFFAOYSA-N","SMILES":"OC1=C(C)N=CC(CO)=C1C=O","PLOT_NAME":"pyridoxal","CAS":"65-22-5","CHEMSPIDER":"1021","HMDB":"HMDB0001545","KEGG":"C00250","PUBCHEM":"1050","PLATFORM":"Neg","metab.id":"M0000000491"},{"Metabolite":"riboflavin (vitamin B2)","CHEM_ID":"500","LIB_ID":"209","COMP_ID":"1827","CHRO_LIB_ENTRY_ID":"123225","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Riboflavin Metabolism","PATHWAY_SORTORDER":"4352","TYPE":"NAMED","INCHIKEY":"AUNGANRZJHBGPY-UHFFFAOYSA-N","SMILES":"OC(C(O)C(O)CO)CN1C(C=C2C)=C(C=C2C)N=C(C(N3)=O)C1=NC3=O","PLOT_NAME":"riboflavin (vitamin B2)","CAS":"83-88-5","CHEMSPIDER":"431981","HMDB":"HMDB0000244","KEGG":"C00255","PUBCHEM":"493570","PLATFORM":"Neg","metab.id":"M0000000500"},{"Metabolite":"myristate (14:0)","CHEM_ID":"519","LIB_ID":"209","COMP_ID":"1365","CHRO_LIB_ENTRY_ID":"125728","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1525","TYPE":"NAMED","INCHIKEY":"TUNFSRHWOTWDNC-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCCCCCC)=O","PLOT_NAME":"myristate (14:0)","CAS":"544-63-8","CHEMSPIDER":"10539","HMDB":"HMDB0000806","KEGG":"C06424","PUBCHEM":"11005","PLATFORM":"Neg","metab.id":"M0000000519"},{"Metabolite":"uridine","CHEM_ID":"535","LIB_ID":"209","COMP_ID":"606","CHRO_LIB_ENTRY_ID":"123185","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4239","TYPE":"NAMED","INCHIKEY":"DRTQHJPVMGBUCF-UHFFFAOYSA-N","SMILES":"OC1C(N(C=CC2=O)C(N2)=O)OC(CO)C1O","PLOT_NAME":"uridine","CAS":"58-96-8","CHEMSPIDER":"5807","HMDB":"HMDB0000296","KEGG":"C00299","PUBCHEM":"6029","PLATFORM":"Neg","metab.id":"M0000000535"},{"Metabolite":"2''-deoxyuridine","CHEM_ID":"536","LIB_ID":"209","COMP_ID":"1412","CHRO_LIB_ENTRY_ID":"123201","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4255","TYPE":"NAMED","INCHIKEY":"MXHRCPNRJAMMIM-UHFFFAOYSA-N","SMILES":"O=C(NC1=O)N(C=C1)C(CC2O)OC2CO","PLOT_NAME":"2''-deoxyuridine","CAS":"951-78-0","CHEMSPIDER":"13118","HMDB":"HMDB0000012","KEGG":"C00526","PUBCHEM":"13712","PLATFORM":"Neg","metab.id":"M0000000536"},{"Metabolite":"pseudouridine","CHEM_ID":"821","LIB_ID":"209","COMP_ID":"33442","CHRO_LIB_ENTRY_ID":"125870","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4241","TYPE":"NAMED","INCHIKEY":"PTJWIQPHWPFNBW-GBNDHIKLSA-N","SMILES":"O[C@]1([H])[C@@](O)([H])[C@](CO)([H])O[C@]1(C2=CNC(NC2=O)=O)[H]","PLOT_NAME":"pseudouridine","CAS":"1445-07-4","CHEMSPIDER":"21403010","HMDB":"HMDB0000767","KEGG":"C02067","PUBCHEM":"15047","PLATFORM":"Neg","metab.id":"M0000000821"},{"Metabolite":"pyruvate","CHEM_ID":"823","LIB_ID":"209","COMP_ID":"42582","CHRO_LIB_ENTRY_ID":"123329","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","PATHWAY_SORTORDER":"1256","TYPE":"NAMED","INCHIKEY":"LCTONWCANYUPML-UHFFFAOYSA-N","SMILES":"CC(C(O)=O)=O","PLOT_NAME":"pyruvate","CAS":"127-17-3","CHEMSPIDER":"96901","HMDB":"HMDB0000243","KEGG":"C00022","PUBCHEM":"1060","PLATFORM":"Neg","metab.id":"M0000000823"},{"Metabolite":"thymidine","CHEM_ID":"872","LIB_ID":"209","COMP_ID":"2183","CHRO_LIB_ENTRY_ID":"124827","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Thymine containing","PATHWAY_SORTORDER":"4294","TYPE":"NAMED","INCHIKEY":"IQFYYKKMVGJFEH-XLPZGREQSA-N","SMILES":"O=C(NC(C(C)=C1)=O)N1[C@]2([C@@]([C@@]([C@@](CO)(O2)[H])(O)[H])([H])[H])[H]","PLOT_NAME":"thymidine","CAS":"50-89-5","CHEMSPIDER":"5585","HMDB":"HMDB0000273","KEGG":"C00214","PUBCHEM":"5789","PLATFORM":"Neg","metab.id":"M0000000872"},{"Metabolite":"thymine","CHEM_ID":"882","LIB_ID":"209","COMP_ID":"604","CHRO_LIB_ENTRY_ID":"126810","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Thymine containing","PATHWAY_SORTORDER":"4297","TYPE":"NAMED","INCHIKEY":"RWQNBRDOKXIBIV-UHFFFAOYSA-N","SMILES":"O=C1C(C)=CNC(N1)=O","PLOT_NAME":"thymine","CAS":"65-71-4","CHEMSPIDER":"1103","HMDB":"HMDB0000262","KEGG":"C00178","PUBCHEM":"1135","PLATFORM":"Neg","metab.id":"M0000000882"},{"Metabolite":"caprate (10:0)","CHEM_ID":"888","LIB_ID":"209","COMP_ID":"1642","CHRO_LIB_ENTRY_ID":"125736","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1512","TYPE":"NAMED","INCHIKEY":"GHVNFZFCNZKVNT-UHFFFAOYSA-N","SMILES":"CCCCCCCCCC(O)=O","PLOT_NAME":"caprate (10:0)","CAS":"334-48-5","CHEMSPIDER":"2863","HMDB":"HMDB0000511","KEGG":"C01571","PUBCHEM":"2969","PLATFORM":"Neg","metab.id":"M0000000888"},{"Metabolite":"margarate (17:0)","CHEM_ID":"891","LIB_ID":"209","COMP_ID":"1121","CHRO_LIB_ENTRY_ID":"125718","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1530","TYPE":"NAMED","INCHIKEY":"KEMQGTRYUADPNZ-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCCCC","PLOT_NAME":"margarate (17:0)","CAS":"506-12-7","CHEMSPIDER":"10033","HMDB":"HMDB0002259","KEGG":"NA","PUBCHEM":"10465","PLATFORM":"Neg","metab.id":"M0000000891"},{"Metabolite":"nonadecanoate (19:0)","CHEM_ID":"892","LIB_ID":"209","COMP_ID":"1356","CHRO_LIB_ENTRY_ID":"125722","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1534","TYPE":"NAMED","INCHIKEY":"ISYWECDDZWTKFF-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"nonadecanoate (19:0)","CAS":"646-30-0","CHEMSPIDER":"12071","HMDB":"HMDB0000772","KEGG":"C16535","PUBCHEM":"12591","PLATFORM":"Neg","metab.id":"M0000000892"},{"Metabolite":"arachidate (20:0)","CHEM_ID":"893","LIB_ID":"209","COMP_ID":"1118","CHRO_LIB_ENTRY_ID":"125716","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1535","TYPE":"NAMED","INCHIKEY":"VKOBVWXKNCXXDE-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"arachidate (20:0)","CAS":"506-30-9","CHEMSPIDER":"10035","HMDB":"HMDB0002212","KEGG":"C06425","PUBCHEM":"10467","PLATFORM":"Neg","metab.id":"M0000000893"},{"Metabolite":"heptanoate (7:0)","CHEM_ID":"925","LIB_ID":"209","COMP_ID":"1644","CHRO_LIB_ENTRY_ID":"125738","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1508","TYPE":"NAMED","INCHIKEY":"MNWFXJYAOYHMED-UHFFFAOYSA-N","SMILES":"CCCCCCC(O)=O","PLOT_NAME":"heptanoate (7:0)","CAS":"111-14-8","CHEMSPIDER":"7803","HMDB":"HMDB0000666","KEGG":"C17714","PUBCHEM":"8094","PLATFORM":"Neg","metab.id":"M0000000925"},{"Metabolite":"caproate (6:0)","CHEM_ID":"926","LIB_ID":"209","COMP_ID":"32489","CHRO_LIB_ENTRY_ID":"125850","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1507","TYPE":"NAMED","INCHIKEY":"FUZZWVXGSFPDMH-UHFFFAOYSA-N","SMILES":"CCCCCC(O)=O","PLOT_NAME":"caproate (6:0)","CAS":"142-62-1","CHEMSPIDER":"8552","HMDB":"HMDB0000535","KEGG":"C01585","PUBCHEM":"8892","PLATFORM":"Neg","metab.id":"M0000000926"},{"Metabolite":"caprylate (8:0)","CHEM_ID":"932","LIB_ID":"209","COMP_ID":"32492","CHRO_LIB_ENTRY_ID":"125852","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1509","TYPE":"NAMED","INCHIKEY":"WWZKQHOCKIZLMA-UHFFFAOYSA-N","SMILES":"CCCCCCCC(O)=O","PLOT_NAME":"caprylate (8:0)","CAS":"124-07-2","CHEMSPIDER":"370","HMDB":"HMDB0000482","KEGG":"C06423","PUBCHEM":"379","PLATFORM":"Neg","metab.id":"M0000000932"},{"Metabolite":"pentadecanoate (15:0)","CHEM_ID":"980","LIB_ID":"209","COMP_ID":"1361","CHRO_LIB_ENTRY_ID":"125726","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Saturated Fatty Acid","PATHWAY_SORTORDER":"1527","TYPE":"NAMED","INCHIKEY":"WQEPLUUGTLDZJY-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCC","PLOT_NAME":"pentadecanoate (15:0)","CAS":"10002-84-2,1002-84-2","CHEMSPIDER":"13249","HMDB":"HMDB0000826","KEGG":"C16537","PUBCHEM":"13849","PLATFORM":"Neg","metab.id":"M0000000980"},{"Metabolite":"5-oxoproline","CHEM_ID":"1021","LIB_ID":"209","COMP_ID":"1494","CHRO_LIB_ENTRY_ID":"123209","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutathione Metabolism","PATHWAY_SORTORDER":"587","TYPE":"NAMED","INCHIKEY":"ODHCTXKNWHHXJC-VKHMYHEASA-N","SMILES":"O=C1CC[C@@H]([C@@](O)=O)N1","PLOT_NAME":"5-oxoproline","CAS":"98-79-3","CHEMSPIDER":"7127","HMDB":"HMDB0000267","KEGG":"C02237,C01879","PUBCHEM":"4,396,857,405","PLATFORM":"Neg","metab.id":"M0000001021"},{"Metabolite":"pantothenate","CHEM_ID":"1024","LIB_ID":"209","COMP_ID":"1508","CHRO_LIB_ENTRY_ID":"124797","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Pantothenate and CoA Metabolism","PATHWAY_SORTORDER":"4357","TYPE":"NAMED","INCHIKEY":"GHOKWGTUZJEAQD-ZETCQYMHSA-N","SMILES":"O=C(NCCC(O)=O)[C@H](O)C(C)(C)CO","PLOT_NAME":"pantothenate (Vitamin B5)","CAS":"137-08-6","CHEMSPIDER":"6361","HMDB":"HMDB0000210","KEGG":"C00864","PUBCHEM":"6613","PLATFORM":"Neg","metab.id":"M0000001024"},{"Metabolite":"N-acetylleucine","CHEM_ID":"1082","LIB_ID":"209","COMP_ID":"1587","CHRO_LIB_ENTRY_ID":"126818","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"341","TYPE":"NAMED","INCHIKEY":"WXNXCEHXYPACJF-ZETCQYMHSA-N","SMILES":"O=C(O)[C@H](CC(C)C)NC(C)=O","PLOT_NAME":"N-acetylleucine","CAS":"1188-21-2","CHEMSPIDER":"64075","HMDB":"HMDB0011756","KEGG":"C02710","PUBCHEM":"70912","PLATFORM":"Neg","metab.id":"M0000001082"},{"Metabolite":"N-acetylmethionine","CHEM_ID":"1083","LIB_ID":"209","COMP_ID":"1589","CHRO_LIB_ENTRY_ID":"124587","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"441","TYPE":"NAMED","INCHIKEY":"XUYPXLNMDZIRQH-LURJTMIESA-N","SMILES":"O=C(O)[C@H](CCSC)NC(C)=O","PLOT_NAME":"N-acetylmethionine","CAS":"65-82-7","CHEMSPIDER":"395338","HMDB":"HMDB0011745","KEGG":"C02712","PUBCHEM":"448580","PLATFORM":"Neg","metab.id":"M0000001083"},{"Metabolite":"N-acetylvaline","CHEM_ID":"1084","LIB_ID":"209","COMP_ID":"1591","CHRO_LIB_ENTRY_ID":"124807","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"422","TYPE":"NAMED","INCHIKEY":"IHYJTAOFMMMOPX-LURJTMIESA-N","SMILES":"O=C(O)[C@@H](NC(C)=O)C(C)C","PLOT_NAME":"N-acetylvaline","CAS":"96-81-1","CHEMSPIDER":"60154","HMDB":"HMDB0011757","KEGG":"NA","PUBCHEM":"66789","PLATFORM":"Neg","metab.id":"M0000001084"},{"Metabolite":"erucate (22:1n9)","CHEM_ID":"1087","LIB_ID":"209","COMP_ID":"1552","CHRO_LIB_ENTRY_ID":"125983","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1565","TYPE":"NAMED","INCHIKEY":"DPUOLQHDNGRHBS-KTKRTIGZSA-N","SMILES":"OC(CCCCCCCCCCC\\C=C/CCCCCCCC)=O","PLOT_NAME":"erucate (22:1n9)","CAS":"112-86-7","CHEMSPIDER":"7924","HMDB":"HMDB0002068","KEGG":"C08316","PUBCHEM":"82,165,281,116","PLATFORM":"Neg","metab.id":"M0000001087"},{"Metabolite":"thyroxine","CHEM_ID":"1094","LIB_ID":"209","COMP_ID":"2761","CHRO_LIB_ENTRY_ID":"161549","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"250","TYPE":"NAMED","INCHIKEY":"XUIIKFGFIJCVMT-LBPRGKRZSA-N","SMILES":"OC1=C(I)C=C(OC2=C(I)C=C(C[C@H](N)C(O)=O)C=C2I)C=C1I","PLOT_NAME":"thyroxine","CAS":"51-48-9","CHEMSPIDER":"5614","HMDB":"HMDB0000248","KEGG":"C01829","PUBCHEM":"5819","PLATFORM":"Neg","metab.id":"M0000001094"},{"Metabolite":"guanosine","CHEM_ID":"1099","LIB_ID":"209","COMP_ID":"1573","CHRO_LIB_ENTRY_ID":"124583","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, Guanine containing","PATHWAY_SORTORDER":"4202","TYPE":"NAMED","INCHIKEY":"NYHBQMYGNKIUIF-UUOKFMHZSA-N","SMILES":"O=C1C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)=C2N=C(N)N1","PLOT_NAME":"guanosine","CAS":"118-00-3","CHEMSPIDER":"6544","HMDB":"HMDB0000133","KEGG":"C00387","PUBCHEM":"6802","PLATFORM":"Neg","metab.id":"M0000001099"},{"Metabolite":"gamma-glutamyltyrosine","CHEM_ID":"1102","LIB_ID":"209","COMP_ID":"2734","CHRO_LIB_ENTRY_ID":"123231","SUPER_PATHWAY":"Peptide","SUB_PATHWAY":"Gamma-glutamyl Amino Acid","PATHWAY_SORTORDER":"662","TYPE":"NAMED","INCHIKEY":"VVLXCWVSSLFQDS-QWRGUYRKSA-N","SMILES":"OC(C=C1)=CC=C1C[C@@H](C(O)=O)NC(CC[C@@H](C(O)=O)N)=O","PLOT_NAME":"gamma-glutamyltyrosine","CAS":"7432-23-7","CHEMSPIDER":"85142","HMDB":"HMDB0011741","KEGG":"NA","PUBCHEM":"94340","PLATFORM":"Neg","metab.id":"M0000001102"},{"Metabolite":"chenodeoxycholate","CHEM_ID":"1123","LIB_ID":"209","COMP_ID":"1563","CHRO_LIB_ENTRY_ID":"125732","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3476","TYPE":"NAMED","INCHIKEY":"RUDATBOHQWOJDD-LXEZOOAESA-N","SMILES":"C[C@]12CC[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C[C@@H](O)[C@@]3([H])[C@]1([H])CC[C@@]2(C(CCC(O)=O)C)[H]","PLOT_NAME":"chenodeoxycholate","CAS":"474-25-9,474-24-9","CHEMSPIDER":"NA","HMDB":"HMDB0000518","KEGG":"C02528","PUBCHEM":"10133","PLATFORM":"Neg","metab.id":"M0000001123"},{"Metabolite":"citrate","CHEM_ID":"1124","LIB_ID":"209","COMP_ID":"1564","CHRO_LIB_ENTRY_ID":"124575","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1457","TYPE":"NAMED","INCHIKEY":"KRKNYBCHXYNGOX-UHFFFAOYSA-N","SMILES":"OC(CC(CC(O)=O)(O)C(O)=O)=O","PLOT_NAME":"citrate","CAS":"77-92-9","CHEMSPIDER":"305","HMDB":"HMDB0000094","KEGG":"C00158","PUBCHEM":"311","PLATFORM":"Neg","metab.id":"M0000001124"},{"Metabolite":"5,6-dihydrouracil","CHEM_ID":"1125","LIB_ID":"209","COMP_ID":"1559","CHRO_LIB_ENTRY_ID":"124573","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4251","TYPE":"NAMED","INCHIKEY":"OIVLITBTBDPEFK-UHFFFAOYSA-N","SMILES":"O=C(CCN1)NC1=O","PLOT_NAME":"5,6-dihydrouracil","CAS":"504-07-4","CHEMSPIDER":"629","HMDB":"HMDB0000076","KEGG":"C00429","PUBCHEM":"649","PLATFORM":"Neg","metab.id":"M0000001125"},{"Metabolite":"urate","CHEM_ID":"1134","LIB_ID":"209","COMP_ID":"1604","CHRO_LIB_ENTRY_ID":"124593","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, (Hypo)Xanthine/Inosine containing","PATHWAY_SORTORDER":"4151","TYPE":"NAMED","INCHIKEY":"LEHOTFFKMJEONL-UHFFFAOYSA-N","SMILES":"O=C1NC(NC(NC2=O)=O)=C2N1","PLOT_NAME":"urate","CAS":"120K5305,69-93-2","CHEMSPIDER":"NA","HMDB":"HMDB0000289","KEGG":"C00366","PUBCHEM":"1175","PLATFORM":"Neg","metab.id":"M0000001134"},{"Metabolite":"ursodeoxycholate","CHEM_ID":"1135","LIB_ID":"209","COMP_ID":"1605","CHRO_LIB_ENTRY_ID":"125991","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3524","TYPE":"NAMED","INCHIKEY":"RUDATBOHQWOJDD-UZVSRGJWSA-N","SMILES":"O[C@@H]1[C@@]2([H])[C@]3([H])CC[C@@]([C@@H](CCC(O)=O)C)([H])[C@@]3(C)CC[C@]2([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])C1","PLOT_NAME":"ursodeoxycholate","CAS":"128-13-2","CHEMSPIDER":"29131","HMDB":"HMDB0000946","KEGG":"C07880","PUBCHEM":"31401","PLATFORM":"Neg","metab.id":"M0000001135"},{"Metabolite":"valerate (5:0)","CHEM_ID":"1136","LIB_ID":"209","COMP_ID":"33443","CHRO_LIB_ENTRY_ID":"126081","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Short Chain Fatty Acid","PATHWAY_SORTORDER":"1506","TYPE":"NAMED","INCHIKEY":"NQPDZGIKBAWPEJ-UHFFFAOYSA-N","SMILES":"OC(CCCC)=O","PLOT_NAME":"valerate (5:0)","CAS":"109-52-4","CHEMSPIDER":"7701","HMDB":"HMDB0000892","KEGG":"C00803","PUBCHEM":"7991","PLATFORM":"Neg","metab.id":"M0000001136"},{"Metabolite":"oleoyl ethanolamide","CHEM_ID":"1137","LIB_ID":"209","COMP_ID":"38102","CHRO_LIB_ENTRY_ID":"127707","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2177","TYPE":"NAMED","INCHIKEY":"BOWVQLFMWHZBEF-KTKRTIGZSA-N","SMILES":"O=C(NCCO)CCCCCCC/C=C\\CCCCCCCC","PLOT_NAME":"oleoyl ethanolamide","CAS":"111-58-0,11-58-0","CHEMSPIDER":"4446574","HMDB":"HMDB0002088","KEGG":"NA","PUBCHEM":"5283454","PLATFORM":"Neg","metab.id":"M0000001137"},{"Metabolite":"4-hydroxyphenylpyruvate","CHEM_ID":"1141","LIB_ID":"209","COMP_ID":"1669","CHRO_LIB_ENTRY_ID":"124595","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"180","TYPE":"NAMED","INCHIKEY":"KKADPXVIOXHVKN-UHFFFAOYSA-N","SMILES":"OC1=CC=C(CC(C(O)=O)=O)C=C1","PLOT_NAME":"4-hydroxyphenylpyruvate","CAS":"156-39-8","CHEMSPIDER":"954","HMDB":"HMDB0000707","KEGG":"C01179","PUBCHEM":"979","PLATFORM":"Neg","metab.id":"M0000001141"},{"Metabolite":"butyrate/isobutyrate (4:0)","CHEM_ID":"1143","LIB_ID":"209","COMP_ID":"40605","CHRO_LIB_ENTRY_ID":"223227","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Short Chain Fatty Acid","PATHWAY_SORTORDER":"1505","TYPE":"NAMED","INCHIKEY":"FERIUCNNQQJTOY-UHFFFAOYSA-N","SMILES":"OC(CCC)=O","PLOT_NAME":"butyrate/isobutyrate (4:0)","CAS":"109-92-6","CHEMSPIDER":"259","HMDB":"HMDB0000039","KEGG":"C00246","PUBCHEM":"264","PLATFORM":"Neg","metab.id":"M0000001143"},{"Metabolite":"dihomo-linoleate (20:2n6)","CHEM_ID":"1231","LIB_ID":"209","COMP_ID":"17805","CHRO_LIB_ENTRY_ID":"126039","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1588","TYPE":"NAMED","INCHIKEY":"XSXIVVZCUAHUJO-HZJYTTRNSA-N","SMILES":"O=C(O)CCCCCCCCC/C=C\\C/C=C\\CCCCC","PLOT_NAME":"dihomolinoleate (20:2n6)","CAS":"2091-39-6","CHEMSPIDER":"4944228","HMDB":"HMDB0005060","KEGG":"C16525","PUBCHEM":"6439848","PLATFORM":"Neg","metab.id":"M0000001231"},{"Metabolite":"2-hydroxystearate","CHEM_ID":"1239","LIB_ID":"209","COMP_ID":"17945","CHRO_LIB_ENTRY_ID":"126830","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1989","TYPE":"NAMED","INCHIKEY":"KIHBGTRZFAVZRV-QGZVFWFLSA-N","SMILES":"OC([C@H](O)CCCCCCCCCCCCCCCC)=O","PLOT_NAME":"2-hydroxystearate","CAS":"629-22-1","CHEMSPIDER":"62625","HMDB":"HMDB0062549","KEGG":"C03042,C03045","PUBCHEM":"43,988,743,988,569,400","PLATFORM":"Neg","metab.id":"M0000001239"},{"Metabolite":"glycerol","CHEM_ID":"1254","LIB_ID":"209","COMP_ID":"15122","CHRO_LIB_ENTRY_ID":"126021","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Glycerolipid Metabolism","PATHWAY_SORTORDER":"2860","TYPE":"NAMED","INCHIKEY":"PEDCQBHIVMGVHV-UHFFFAOYSA-N","SMILES":"OC(CO)CO","PLOT_NAME":"glycerol","CAS":"56-81-5","CHEMSPIDER":"733","HMDB":"HMDB0000131","KEGG":"C00116","PUBCHEM":"753","PLATFORM":"Neg","metab.id":"M0000001254"},{"Metabolite":"cinnamate","CHEM_ID":"1259","LIB_ID":"209","COMP_ID":"12115","CHRO_LIB_ENTRY_ID":"152424","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4874","TYPE":"NAMED","INCHIKEY":"WBYWAXJHAXSJNI-VOTSOKGWSA-N","SMILES":"OC(/C=C/C1=CC=CC=C1)=O","PLOT_NAME":"cinnamate","CAS":"140-10-3","CHEMSPIDER":"392447","HMDB":"HMDB0000930","KEGG":"C00423","PUBCHEM":"444539","PLATFORM":"Neg","metab.id":"M0000001259"},{"Metabolite":"12-HHTrE","CHEM_ID":"1261","LIB_ID":"209","COMP_ID":"57393","CHRO_LIB_ENTRY_ID":"210941","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Eicosanoid","PATHWAY_SORTORDER":"2166","TYPE":"NAMED","INCHIKEY":"KUKJHGXXZWHSBG-WBGSEQOASA-N","SMILES":"O[C@@H](CCCCC)/C=C/C=C/C/C=C\\CCCC(O)=O","PLOT_NAME":"12-HHTrE","CAS":"54397-84-1","CHEMSPIDER":"4446265","HMDB":"HMDB0012535","KEGG":"C20388","PUBCHEM":"5283141","PLATFORM":"Neg","metab.id":"M0000001261"},{"Metabolite":"beta-hydroxyisovalerate","CHEM_ID":"1442","LIB_ID":"209","COMP_ID":"12129","CHRO_LIB_ENTRY_ID":"126017","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"368","TYPE":"NAMED","INCHIKEY":"AXFYFNCPONWUHW-UHFFFAOYSA-N","SMILES":"CC(C)(O)CC(O)=O","PLOT_NAME":"beta-hydroxyisovalerate","CAS":"625-08-1","CHEMSPIDER":"62571","HMDB":"HMDB0000754","KEGG":"NA","PUBCHEM":"69362","PLATFORM":"Neg","metab.id":"M0000001442"},{"Metabolite":"palmitoyl ethanolamide","CHEM_ID":"1489","LIB_ID":"209","COMP_ID":"38165","CHRO_LIB_ENTRY_ID":"127721","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2180","TYPE":"NAMED","INCHIKEY":"HXYVTAGFYLMHSO-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCC(NCCO)=O","PLOT_NAME":"palmitoyl ethanolamide","CAS":"544-31-0","CHEMSPIDER":"4509","HMDB":"HMDB0002100","KEGG":"C16512","PUBCHEM":"4671","PLATFORM":"Neg","metab.id":"M0000001489"},{"Metabolite":"linoleamide (18:2n6)","CHEM_ID":"1492","LIB_ID":"209","COMP_ID":"32455","CHRO_LIB_ENTRY_ID":"125846","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Amide","PATHWAY_SORTORDER":"1756","TYPE":"NAMED","INCHIKEY":"SFIHQZFZMWZOJV-HZJYTTRNSA-N","SMILES":"CCCCC\\C=C/C\\C=C/CCCCCCCC(N)=O","PLOT_NAME":"linoleamide (18:2n6)","CAS":"1/7/99","CHEMSPIDER":"4940587","HMDB":"HMDB0062656","KEGG":"NA","PUBCHEM":"6435901","PLATFORM":"Neg","metab.id":"M0000001492"},{"Metabolite":"oleamide","CHEM_ID":"1504","LIB_ID":"209","COMP_ID":"32458","CHRO_LIB_ENTRY_ID":"125848","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Amide","PATHWAY_SORTORDER":"1762","TYPE":"NAMED","INCHIKEY":"FATBGEAMYMYZAF-KTKRTIGZSA-N","SMILES":"NC(CCCCCCC\\C=C/CCCCCCCC)=O","PLOT_NAME":"oleamide","CAS":"301-02-0","CHEMSPIDER":"4446508","HMDB":"HMDB0002117","KEGG":"C19670","PUBCHEM":"5283387","PLATFORM":"Neg","metab.id":"M0000001504"},{"Metabolite":"biopterin","CHEM_ID":"1548","LIB_ID":"209","COMP_ID":"12358","CHRO_LIB_ENTRY_ID":"124841","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tetrahydrobiopterin Metabolism","PATHWAY_SORTORDER":"4411","TYPE":"NAMED","INCHIKEY":"LHQIJBMDNUYRAM-AWFVSMACSA-N","SMILES":"O=C1C2=NC([C@H](O)[C@H](O)C)=CNC2=NC(N)=N1","PLOT_NAME":"biopterin","CAS":"22150-76-1","CHEMSPIDER":"392795","HMDB":"HMDB0000468","KEGG":"C06313","PUBCHEM":"445040","PLATFORM":"Neg","metab.id":"M0000001548"},{"Metabolite":"glycochenodeoxycholate","CHEM_ID":"1628","LIB_ID":"209","COMP_ID":"32346","CHRO_LIB_ENTRY_ID":"124921","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3481","TYPE":"NAMED","INCHIKEY":"GHCZAUBVMUEKKP-AZDOMVTHSA-N","SMILES":"O=C(NCC(O)=O)CC[C@@H](C)[C@@H]1[C@](CC[C@H]2[C@@]3([H])[C@H](O)C[C@@]4([H])C2(C)CC[C@@H](O)C4)(C)[C@]3([H])CC1","PLOT_NAME":"glycochenodeoxycholate","CAS":"16564-43-5","CHEMSPIDER":"NA","HMDB":"HMDB0000637","KEGG":"C05466","PUBCHEM":"12544","PLATFORM":"Neg","metab.id":"M0000001628"},{"Metabolite":"taurochenodeoxycholate","CHEM_ID":"1629","LIB_ID":"209","COMP_ID":"18494","CHRO_LIB_ENTRY_ID":"124667","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3482","TYPE":"NAMED","INCHIKEY":"BHTRKEVKTKCXOH-BJLOMENOSA-N","SMILES":"C[C@@]12[C@@]([H])(CC[C@@]2([C@@H](CCC(NCCS(O)(=O)=O)=O)C)[H])[C@@]([C@@H](C[C@]3([H])C[C@H](O)CC4)O)([H])[C@]([C@]34C)([H])CC1","PLOT_NAME":"taurochenodeoxycholate","CAS":"6009-98-9","CHEMSPIDER":"343282","HMDB":"HMDB0000951","KEGG":"C05465","PUBCHEM":"387316","PLATFORM":"Neg","metab.id":"M0000001629"},{"Metabolite":"taurocholate","CHEM_ID":"1648","LIB_ID":"209","COMP_ID":"18497","CHRO_LIB_ENTRY_ID":"125762","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3475","TYPE":"NAMED","INCHIKEY":"WBWWGRHZICKQGZ-HGVCTONRSA-N","SMILES":"C[C@@]12[C@@]([H])(CC[C@]2([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[C@@]([C@H](O)C[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@@]4([H])C[C@@H]1O","PLOT_NAME":"taurocholate","CAS":"145-42-6","CHEMSPIDER":"NA","HMDB":"HMDB0000036","KEGG":"C05122","PUBCHEM":"667,546,783,527","PLATFORM":"Neg","metab.id":"M0000001648"},{"Metabolite":"taurodeoxycholate","CHEM_ID":"1668","LIB_ID":"209","COMP_ID":"12261","CHRO_LIB_ENTRY_ID":"124839","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3509","TYPE":"NAMED","INCHIKEY":"AWDRATDZQPNJFN-RZGBOAIJSA-N","SMILES":"C[C@@]12[C@@]([H])(CC[C@]2([H])[C@@H](CCC(NCCS(O)(=O)=O)=O)C)[C@@](CC[C@@]3([H])[C@@]4(CC[C@@H](O)C3)C)([H])[C@@]4([H])C[C@@H]1O","PLOT_NAME":"taurodeoxycholate","CAS":"207737-97-1","CHEMSPIDER":"2015539","HMDB":"HMDB0000896","KEGG":"C05463","PUBCHEM":"2733768","PLATFORM":"Neg","metab.id":"M0000001668"},{"Metabolite":"2-hydroxyhippurate (salicylurate)","CHEM_ID":"1869","LIB_ID":"209","COMP_ID":"18281","CHRO_LIB_ENTRY_ID":"124655","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4487","TYPE":"NAMED","INCHIKEY":"ONJSZLXSECQROL-UHFFFAOYSA-N","SMILES":"O=C(C1=CC=CC=C1O)NCC(O)=O","PLOT_NAME":"2-hydroxyhippurate (salicylurate)","CAS":"487-54-7","CHEMSPIDER":"9835","HMDB":"HMDB0000840","KEGG":"C07588","PUBCHEM":"10253","PLATFORM":"Neg","metab.id":"M0000001869"},{"Metabolite":"azelate (C9-DC)","CHEM_ID":"2029","LIB_ID":"209","COMP_ID":"18362","CHRO_LIB_ENTRY_ID":"124661","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1697","TYPE":"NAMED","INCHIKEY":"BDJRBEYXGGNYIS-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCC(O)=O","PLOT_NAME":"azelate (C9-DC)","CAS":"123-99-9","CHEMSPIDER":"2179","HMDB":"HMDB0000784","KEGG":"C08261","PUBCHEM":"2266","PLATFORM":"Neg","metab.id":"M0000002029"},{"Metabolite":"eicosapentaenoate (EPA; 20:5n3)","CHEM_ID":"2050","LIB_ID":"209","COMP_ID":"18467","CHRO_LIB_ENTRY_ID":"126840","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1578","TYPE":"NAMED","INCHIKEY":"JAZBEHYOTPTENJ-JLNKQSITSA-N","SMILES":"O=C(O)CCC\\C=C/C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","PLOT_NAME":"eicosapentaenoate (EPA; 20:5n3)","CAS":"10-2005-9,10417-94-4","CHEMSPIDER":"393682","HMDB":"HMDB0001999","KEGG":"C06428","PUBCHEM":"446284","PLATFORM":"Neg","metab.id":"M0000002050"},{"Metabolite":"benzoate","CHEM_ID":"100000008","LIB_ID":"209","COMP_ID":"15778","CHRO_LIB_ENTRY_ID":"124867","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4498","TYPE":"NAMED","INCHIKEY":"WPYMKLBDIGXBTP-UHFFFAOYSA-N","SMILES":"OC(C1=CC=CC=C1)=O","PLOT_NAME":"benzoate","CAS":"65-85-0","CHEMSPIDER":"238","HMDB":"HMDB0001870","KEGG":"C00180","PUBCHEM":"243","PLATFORM":"Neg","metab.id":"M0100000008"},{"Metabolite":"3-phenylpropionate (hydrocinnamate)","CHEM_ID":"100000010","LIB_ID":"209","COMP_ID":"15749","CHRO_LIB_ENTRY_ID":"126035","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4596","TYPE":"NAMED","INCHIKEY":"XMIIGOLPHOKFCH-UHFFFAOYSA-N","SMILES":"OC(CCC1=CC=CC=C1)=O","PLOT_NAME":"3-phenylpropionate (hydrocinnamate)","CAS":"501-52-0","CHEMSPIDER":"10181339","HMDB":"HMDB0000764","KEGG":"C05629","PUBCHEM":"107","PLATFORM":"Neg","metab.id":"M0100000010"},{"Metabolite":"phenylacetate","CHEM_ID":"100000011","LIB_ID":"209","COMP_ID":"57745","CHRO_LIB_ENTRY_ID":"213340","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Phenylalanine Metabolism","PATHWAY_SORTORDER":"160","TYPE":"NAMED","INCHIKEY":"WLJVXDMOQOGPHL-UHFFFAOYSA-N","SMILES":"O=C(O)CC1=CC=CC=C1","PLOT_NAME":"phenylacetate","CAS":"103-82-2","CHEMSPIDER":"10181341","HMDB":"HMDB0000209","KEGG":"C07086","PUBCHEM":"999","PLATFORM":"Neg","metab.id":"M0100000011"},{"Metabolite":"hippurate","CHEM_ID":"100000014","LIB_ID":"209","COMP_ID":"15753","CHRO_LIB_ENTRY_ID":"124647","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4483","TYPE":"NAMED","INCHIKEY":"QIAFMBKCNZACKA-UHFFFAOYSA-N","SMILES":"O=C(C1=CC=CC=C1)NCC(O)=O","PLOT_NAME":"hippurate","CAS":"495-69-2","CHEMSPIDER":"451","HMDB":"HMDB0000714","KEGG":"C01586","PUBCHEM":"464","PLATFORM":"Neg","metab.id":"M0100000014"},{"Metabolite":"suberate (C8-DC)","CHEM_ID":"100000016","LIB_ID":"209","COMP_ID":"15730","CHRO_LIB_ENTRY_ID":"123269","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1694","TYPE":"NAMED","INCHIKEY":"TYFQFVWCELRYAO-UHFFFAOYSA-N","SMILES":"OC(CCCCCCC(O)=O)=O","PLOT_NAME":"suberate (C8-DC)","CAS":"505-48-6","CHEMSPIDER":"10025","HMDB":"HMDB0000893","KEGG":"C08278","PUBCHEM":"10457","PLATFORM":"Neg","metab.id":"M0100000016"},{"Metabolite":"3-methyl-2-oxovalerate","CHEM_ID":"100000036","LIB_ID":"209","COMP_ID":"15676","CHRO_LIB_ENTRY_ID":"123263","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"399","TYPE":"NAMED","INCHIKEY":"JVQYSWDUAOAHFM-UHFFFAOYSA-N","SMILES":"CCC(C)C(C(O)=O)=O","PLOT_NAME":"3-methyl-2-oxovalerate","CAS":"51829-07-3,1460-34-0","CHEMSPIDER":"46","HMDB":"HMDB0000491","KEGG":"C03465,C06008,C00671","PUBCHEM":"439,286,440,877","PLATFORM":"Neg","metab.id":"M0100000036"},{"Metabolite":"3-methylhistidine","CHEM_ID":"100000042","LIB_ID":"209","COMP_ID":"15677","CHRO_LIB_ENTRY_ID":"123265","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Histidine Metabolism","PATHWAY_SORTORDER":"74","TYPE":"NAMED","INCHIKEY":"JDHILDINMRGULE-LURJTMIESA-N","SMILES":"N[C@H](C(O)=O)CC1=CN=CN1C","PLOT_NAME":"3-methylhistidine","CAS":"368-16-1","CHEMSPIDER":"58494","HMDB":"HMDB0000479","KEGG":"C01152","PUBCHEM":"64969","PLATFORM":"Neg","metab.id":"M0100000042"},{"Metabolite":"flavin mononucleotide (FMN)","CHEM_ID":"100000251","LIB_ID":"209","COMP_ID":"15797","CHRO_LIB_ENTRY_ID":"127541","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Riboflavin Metabolism","PATHWAY_SORTORDER":"4354","TYPE":"NAMED","INCHIKEY":"FVTCRASFADXXNN-UHFFFAOYSA-N","SMILES":"CC1=C(C)C=C(N(CC(O)C(C(COP(O)(O)=O)O)O)C(C2=N3)=NC(NC2=O)=O)C3=C1","PLOT_NAME":"FMN","CAS":"130-40-5","CHEMSPIDER":"690","HMDB":"HMDB0001520","KEGG":"C00061","PUBCHEM":"643976","PLATFORM":"Neg","metab.id":"M0100000251"},{"Metabolite":"xanthosine","CHEM_ID":"100000299","LIB_ID":"209","COMP_ID":"15136","CHRO_LIB_ENTRY_ID":"124851","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, (Hypo)Xanthine/Inosine containing","PATHWAY_SORTORDER":"4143","TYPE":"NAMED","INCHIKEY":"UBORTCNDUKBEOP-UUOKFMHZSA-N","SMILES":"OC1=C(N=CN2[C@@]3([H])[C@@](O)([H])[C@@](O)([H])[C@](CO)([H])O3)C2=NC(O)=N1","PLOT_NAME":"xanthosine","CAS":"146-80-5","CHEMSPIDER":"58484","HMDB":"HMDB0000299","KEGG":"C01762","PUBCHEM":"64959","PLATFORM":"Neg","metab.id":"M0100000299"},{"Metabolite":"glycodeoxycholate","CHEM_ID":"100000436","LIB_ID":"209","COMP_ID":"18477","CHRO_LIB_ENTRY_ID":"123291","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3507","TYPE":"NAMED","INCHIKEY":"WVULKSPCQVQLCU-BUXLTGKBSA-N","SMILES":"O=C(NCC(O)=O)CC[C@@H](C)[C@@H]1[C@@]2(C)[C@@H](O)C[C@]3([H])[C@@]4(C)CC[C@@H](O)C[C@@]4([H])CC[C@@]3([H])[C@@]2(CC1)[H]","PLOT_NAME":"glycodeoxycholate","CAS":"360-65-6","CHEMSPIDER":"NA","HMDB":"HMDB00631","KEGG":"C05464","PUBCHEM":"3035026","PLATFORM":"Neg","metab.id":"M0100000436"},{"Metabolite":"indolelactate","CHEM_ID":"100000463","LIB_ID":"209","COMP_ID":"18349","CHRO_LIB_ENTRY_ID":"124659","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"303","TYPE":"NAMED","INCHIKEY":"XGILAAMKEQUXLS-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CC1=CNC2=C1C=CC=C2","PLOT_NAME":"indolelactate","CAS":"832-97-3","CHEMSPIDER":"83867","HMDB":"HMDB0000671","KEGG":"C02043","PUBCHEM":"92904","PLATFORM":"Neg","metab.id":"M0100000463"},{"Metabolite":"3-indoxyl sulfate","CHEM_ID":"100000467","LIB_ID":"209","COMP_ID":"27672","CHRO_LIB_ENTRY_ID":"123315","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"327","TYPE":"NAMED","INCHIKEY":"BXFFHSIDQOFMLE-UHFFFAOYSA-N","SMILES":"O=S(OC2=CNC1=CC=CC=C12)(O)=O","PLOT_NAME":"3-indoxyl sulfate","CAS":"2642-37-7","CHEMSPIDER":"9840","HMDB":"HMDB0000682","KEGG":"NA","PUBCHEM":"10258","PLATFORM":"Neg","metab.id":"M0100000467"},{"Metabolite":"gamma-glutamylphenylalanine","CHEM_ID":"100000491","LIB_ID":"209","COMP_ID":"33422","CHRO_LIB_ENTRY_ID":"126077","SUPER_PATHWAY":"Peptide","SUB_PATHWAY":"Gamma-glutamyl Amino Acid","PATHWAY_SORTORDER":"659","TYPE":"NAMED","INCHIKEY":"XHHOHZPNYFQJKL-QWRGUYRKSA-N","SMILES":"O=C(O)[C@H](CC1=CC=CC=C1)NC(CC[C@@H](C(O)=O)N)=O","PLOT_NAME":"gamma-glutamylphenylalanine","CAS":"7432-24-8","CHEMSPIDER":"99868","HMDB":"HMDB0000594","KEGG":"NA","PUBCHEM":"111299","PLATFORM":"Neg","metab.id":"M0100000491"},{"Metabolite":"4-methyl-2-oxopentanoate","CHEM_ID":"100000551","LIB_ID":"209","COMP_ID":"22116","CHRO_LIB_ENTRY_ID":"124905","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"348","TYPE":"NAMED","INCHIKEY":"BKAJNAXTPSGJCU-UHFFFAOYSA-N","SMILES":"CC(C)CC(C(O)=O)=O","PLOT_NAME":"4-methyl-2-oxopentanoate","CAS":"816-66-0","CHEMSPIDER":"69","HMDB":"HMDB0000695","KEGG":"C00233","PUBCHEM":"70","PLATFORM":"Neg","metab.id":"M0100000551"},{"Metabolite":"1,5-anhydroglucitol (1,5-AG)","CHEM_ID":"100000580","LIB_ID":"209","COMP_ID":"20675","CHRO_LIB_ENTRY_ID":"123293","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","PATHWAY_SORTORDER":"1237","TYPE":"NAMED","INCHIKEY":"MPCAJMNYNOGXPB-SLPGGIOYSA-N","SMILES":"O[C@@H]1[C@@H](CO)OC[C@H](O)[C@H]1O","PLOT_NAME":"1,5-anhydroglucitol (1,5-AG)","CAS":"154-58-5","CHEMSPIDER":"NA","HMDB":"HMDB0002712","KEGG":"C07326","PUBCHEM":"64960","PLATFORM":"Neg","metab.id":"M0100000580"},{"Metabolite":"1-oleoyl-GPS (18:1)","CHEM_ID":"100000630","LIB_ID":"209","COMP_ID":"19260","CHRO_LIB_ENTRY_ID":"126848","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2721","TYPE":"NAMED","INCHIKEY":"JZWNYZVVZXZRRH-YFKVPUFHSA-N","SMILES":"CCCCCCCC\\C=C/CCCCCCCC(OC[C@]([H])(COP(O)(OC[C@]([NH3+])(C([O-])=O)[H])=O)O)=O","PLOT_NAME":"1-oleoyl-GPS (18:1)","CAS":"326589-90-6","CHEMSPIDER":"7826049","HMDB":"HMDB0061694","KEGG":"NA","PUBCHEM":"85036846","PLATFORM":"Neg","metab.id":"M0100000630"},{"Metabolite":"1-stearoyl-GPI (18:0)","CHEM_ID":"100000656","LIB_ID":"209","COMP_ID":"19324","CHRO_LIB_ENTRY_ID":"128173","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2739","TYPE":"NAMED","INCHIKEY":"MXAFDFDAIFZFET-CLBYPKMISA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O","PLOT_NAME":"1-stearoyl-GPI (18:0)","CAS":"796963-93-4","CHEMSPIDER":"21403067","HMDB":"HMDB0240261","KEGG":"NA","PUBCHEM":"7,158,113,542,607,490","PLATFORM":"Neg","metab.id":"M0100000656"},{"Metabolite":"docosahexaenoate (DHA; 22:6n3)","CHEM_ID":"100000665","LIB_ID":"209","COMP_ID":"44675","CHRO_LIB_ENTRY_ID":"126139","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1581","TYPE":"NAMED","INCHIKEY":"MBMBGCFOFBJSGT-KUBAVDMBSA-N","SMILES":"CC\\C=C/C\\C=C/C\\C=C/C/C=C\\C/C=C\\C/C=C\\CCC(O)=O","PLOT_NAME":"docosahexaenoate (DHA; 22:6n3)","CAS":"6217-54-5","CHEMSPIDER":"393183","HMDB":"HMDB0002183","KEGG":"C06429","PUBCHEM":"445580","PLATFORM":"Neg","metab.id":"M0100000665"},{"Metabolite":"alpha-hydroxyisocaproate","CHEM_ID":"100000706","LIB_ID":"209","COMP_ID":"22132","CHRO_LIB_ENTRY_ID":"124683","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"352","TYPE":"NAMED","INCHIKEY":"LVRFTAZAXQPQHI-UHFFFAOYSA-N","SMILES":"OC(C(CC(C)C)O)=O","PLOT_NAME":"alpha-hydroxyisocaproate","CAS":"10303-64-7","CHEMSPIDER":"75520","HMDB":"HMDB0000665,HMDB00746,HMDB0000624","KEGG":"C03264","PUBCHEM":"8,369,792,779,439,960","PLATFORM":"Neg","metab.id":"M0100000706"},{"Metabolite":"isovalerate (i5:0)","CHEM_ID":"100000708","LIB_ID":"209","COMP_ID":"44656","CHRO_LIB_ENTRY_ID":"126996","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"356","TYPE":"NAMED","INCHIKEY":"GWYFCOCPABKNJV-UHFFFAOYSA-N","SMILES":"CC(C)CC(O)=O","PLOT_NAME":"isovalerate (C5)","CAS":"503-74-2","CHEMSPIDER":"10001","HMDB":"HMDB0000718","KEGG":"C08262","PUBCHEM":"10430","PLATFORM":"Neg","metab.id":"M0100000708"},{"Metabolite":"4-acetylphenol sulfate","CHEM_ID":"100000711","LIB_ID":"209","COMP_ID":"44620","CHRO_LIB_ENTRY_ID":"126992","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4539","TYPE":"NAMED","INCHIKEY":"HOFGLAYWQRGTKC-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=C(C(C)=O)C=C1)(O)=O","PLOT_NAME":"4-acetylphenyl sulfate","CAS":"NA","CHEMSPIDER":"3872009","HMDB":"NA","KEGG":"NA","PUBCHEM":"4684006","PLATFORM":"Neg","metab.id":"M0100000711"},{"Metabolite":"3-hydroxyoctanoate","CHEM_ID":"100000773","LIB_ID":"209","COMP_ID":"22001","CHRO_LIB_ENTRY_ID":"126860","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1998","TYPE":"NAMED","INCHIKEY":"NDPLAKGOSZHTPH-UHFFFAOYSA-N","SMILES":"OC(CC(O)=O)CCCCC","PLOT_NAME":"3-hydroxyoctanoate","CAS":"88930-08-9","CHEMSPIDER":"24791","HMDB":"HMDB0001954","KEGG":"C20793","PUBCHEM":"26613","PLATFORM":"Neg","metab.id":"M0100000773"},{"Metabolite":"phenyllactate (PLA)","CHEM_ID":"100000774","LIB_ID":"209","COMP_ID":"22130","CHRO_LIB_ENTRY_ID":"124681","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Phenylalanine Metabolism","PATHWAY_SORTORDER":"156","TYPE":"NAMED","INCHIKEY":"VOXXWSYKYCBWHO-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CC1=CC=CC=C1","PLOT_NAME":"phenyllactate (PLA)","CAS":"828-01-3","CHEMSPIDER":"3715","HMDB":"HMDB0000779,HMDB0000563","KEGG":"C05607","PUBCHEM":"3848","PLATFORM":"Neg","metab.id":"M0100000774"},{"Metabolite":"hyodeoxycholate","CHEM_ID":"100000777","LIB_ID":"209","COMP_ID":"27531","CHRO_LIB_ENTRY_ID":"126073","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3548","TYPE":"NAMED","INCHIKEY":"DGABKXLVXPYZII-YKDYRQSKSA-N","SMILES":"[H][C@@]12C[C@H](O)CC[C@]1(C)[C@]3([H])[C@@]([C@@](CC[C@@H]4[C@@H](CCC(O)=O)C)([H])[C@@]4(C)CC3)([H])C[C@@H]2O","PLOT_NAME":"hyodeoxycholate","CAS":"83-49-8","CHEMSPIDER":"4446908","HMDB":"HMDB0000733","KEGG":"C15517","PUBCHEM":"5283820","PLATFORM":"Neg","metab.id":"M0100000777"},{"Metabolite":"indoleacrylate","CHEM_ID":"100000800","LIB_ID":"209","COMP_ID":"22114","CHRO_LIB_ENTRY_ID":"126063","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"309","TYPE":"NAMED","INCHIKEY":"PLVPPLCLBIEYEA-AATRIKPKSA-N","SMILES":"O=C(O)/C=C/C1=CNC2=C1C=CC=C2","PLOT_NAME":"indoleacrylate","CAS":"1204-06-4","CHEMSPIDER":"4524636","HMDB":"HMDB0000734","KEGG":"NA","PUBCHEM":"5375048","PLATFORM":"Neg","metab.id":"M0100000800"},{"Metabolite":"isocaproate (i6:0)","CHEM_ID":"100000806","LIB_ID":"209","COMP_ID":"22273","CHRO_LIB_ENTRY_ID":"127567","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Branched","PATHWAY_SORTORDER":"1644","TYPE":"NAMED","INCHIKEY":"FGKJLKRYENPLQH-UHFFFAOYSA-N","SMILES":"CC(C)CCC(O)=O","PLOT_NAME":"isocaproate (i6:0)","CAS":"646-07-1","CHEMSPIDER":"12067","HMDB":"HMDB00689","KEGG":"NA","PUBCHEM":"12587","PLATFORM":"Neg","metab.id":"M0100000806"},{"Metabolite":"tartronate (hydroxymalonate)","CHEM_ID":"100000840","LIB_ID":"209","COMP_ID":"20693","CHRO_LIB_ENTRY_ID":"143841","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5229","TYPE":"NAMED","INCHIKEY":"ROBFUDYVXSDBQM-UHFFFAOYSA-N","SMILES":"O=C(C(O)C(O)=O)O","PLOT_NAME":"tartronate (hydroxymalonate)","CAS":"80-69-3","CHEMSPIDER":"44","HMDB":"HMDB0035227","KEGG":"C02287","PUBCHEM":"45","PLATFORM":"Neg","metab.id":"M0100000840"},{"Metabolite":"oxalate (ethanedioate)","CHEM_ID":"100000841","LIB_ID":"209","COMP_ID":"20694","CHRO_LIB_ENTRY_ID":"143843","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4377","TYPE":"NAMED","INCHIKEY":"MUBZPKHOEPUJKR-UHFFFAOYSA-N","SMILES":"O=C(O)C(O)=O","PLOT_NAME":"oxalate (ethanedioate)","CAS":"144-62-7","CHEMSPIDER":"946","HMDB":"HMDB0002329","KEGG":"C00209","PUBCHEM":"971","PLATFORM":"Neg","metab.id":"M0100000841"},{"Metabolite":"3-hydroxymyristate","CHEM_ID":"100000882","LIB_ID":"209","COMP_ID":"21158","CHRO_LIB_ENTRY_ID":"152464","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2004","TYPE":"NAMED","INCHIKEY":"ATRNZOYKSNPPBF-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCC(O)CC(O)=O","PLOT_NAME":"3-hydroxymyristate","CAS":"3422-31-9","CHEMSPIDER":"15252","HMDB":"HMDB0061656","KEGG":"NA","PUBCHEM":"16064","PLATFORM":"Neg","metab.id":"M0100000882"},{"Metabolite":"1-oleoylglycerol (18:1)","CHEM_ID":"100000924","LIB_ID":"209","COMP_ID":"21184","CHRO_LIB_ENTRY_ID":"126057","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Monoacylglycerol","PATHWAY_SORTORDER":"2874","TYPE":"NAMED","INCHIKEY":"RZRNAYUHWVFMIP-KTKRTIGZSA-N","SMILES":"O=C(OCC(O)CO)CCCCCCC/C=C\\CCCCCCCC","PLOT_NAME":"1-oleoylglycerol (18:1)","CAS":"111-03-5","CHEMSPIDER":"4446588","HMDB":"HMDB0011567","KEGG":"NA","PUBCHEM":"5283468","PLATFORM":"Neg","metab.id":"M0100000924"},{"Metabolite":"3-methyl-2-oxobutyrate","CHEM_ID":"100000936","LIB_ID":"209","COMP_ID":"44526","CHRO_LIB_ENTRY_ID":"124713","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"428","TYPE":"NAMED","INCHIKEY":"QHKABHOOEWYVLI-UHFFFAOYSA-N","SMILES":"OC(C(C(C)C)=O)=O","PLOT_NAME":"3-methyl-2-oxobutyrate","CAS":"3715-29-5","CHEMSPIDER":"48","HMDB":"HMDB0000019","KEGG":"C00141","PUBCHEM":"49","PLATFORM":"Neg","metab.id":"M0100000936"},{"Metabolite":"2-oleoylglycerol (18:1)","CHEM_ID":"100000943","LIB_ID":"209","COMP_ID":"21232","CHRO_LIB_ENTRY_ID":"126858","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Monoacylglycerol","PATHWAY_SORTORDER":"2890","TYPE":"NAMED","INCHIKEY":"UPWGQKDVAURUGE-KTKRTIGZSA-N","SMILES":"O=C(OC(CO)CO)CCCCCCC/C=C\\CCCCCCCC","PLOT_NAME":"2-oleoylglycerol (18:1)","CAS":"3443-84-3","CHEMSPIDER":"4478086","HMDB":"HMDB0011537","KEGG":"NA","PUBCHEM":"5319879","PLATFORM":"Neg","metab.id":"M0100000943"},{"Metabolite":"3-hydroxydecanoate","CHEM_ID":"100000997","LIB_ID":"209","COMP_ID":"22053","CHRO_LIB_ENTRY_ID":"123301","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2000","TYPE":"NAMED","INCHIKEY":"FYSSBMZUBSBFJL-UHFFFAOYSA-N","SMILES":"OC(CC(O)=O)CCCCCCC","PLOT_NAME":"3-hydroxydecanoate","CAS":"5561-87-5","CHEMSPIDER":"24790","HMDB":"HMDB0002203","KEGG":"NA","PUBCHEM":"26612","PLATFORM":"Neg","metab.id":"M0100000997"},{"Metabolite":"EDTA","CHEM_ID":"100001002","LIB_ID":"209","COMP_ID":"22163","CHRO_LIB_ENTRY_ID":"124685","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6186","TYPE":"NAMED","INCHIKEY":"KCXVZYZYPLLWCC-UHFFFAOYSA-N","SMILES":"O=C(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)O","PLOT_NAME":"EDTA","CAS":"60-00-4","CHEMSPIDER":"5826","HMDB":"HMDB0015109","KEGG":"C00284","PUBCHEM":"6049","PLATFORM":"Neg","metab.id":"M0100001002"},{"Metabolite":"indoleacetate","CHEM_ID":"100001034","LIB_ID":"209","COMP_ID":"27513","CHRO_LIB_ENTRY_ID":"126866","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"304","TYPE":"NAMED","INCHIKEY":"SEOVTRFCIGRIMH-UHFFFAOYSA-N","SMILES":"OC(CC1=CNC2=C1C=CC=C2)=O","PLOT_NAME":"indoleacetate","CAS":"87-51-4,6505-45-9","CHEMSPIDER":"780","HMDB":"HMDB0000197","KEGG":"C00954","PUBCHEM":"802","PLATFORM":"Neg","metab.id":"M0100001034"},{"Metabolite":"1-linoleoylglycerol (18:2)","CHEM_ID":"100001040","LIB_ID":"209","COMP_ID":"27447","CHRO_LIB_ENTRY_ID":"126071","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Monoacylglycerol","PATHWAY_SORTORDER":"2875","TYPE":"NAMED","INCHIKEY":"WECGLUPZRHILCT-HZJYTTRNSA-N","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(OCC(O)CO)=O","PLOT_NAME":"1-linoleoylglycerol (18:2)","CAS":"2277-28-3","CHEMSPIDER":"4446589","HMDB":"HMDB0011568","KEGG":"NA","PUBCHEM":"5283469","PLATFORM":"Neg","metab.id":"M0100001040"},{"Metabolite":"1-methylhistidine","CHEM_ID":"100001051","LIB_ID":"209","COMP_ID":"30460","CHRO_LIB_ENTRY_ID":"124693","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Histidine Metabolism","PATHWAY_SORTORDER":"73","TYPE":"NAMED","INCHIKEY":"BRMWTNUJHUMWMS-LURJTMIESA-N","SMILES":"N[C@H](C(O)=O)CC1=CN(C)C=N1","PLOT_NAME":"1-methylhistidine","CAS":"332-80-9","CHEMSPIDER":"83153","HMDB":"HMDB0000001","KEGG":"C01152","PUBCHEM":"92105","PLATFORM":"Neg","metab.id":"M0100001051"},{"Metabolite":"3-dehydrocholate","CHEM_ID":"100001062","LIB_ID":"209","COMP_ID":"43835","CHRO_LIB_ENTRY_ID":"125880","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3552","TYPE":"NAMED","INCHIKEY":"OEKUSRBIIZNLHZ-YXRVOZSUSA-N","SMILES":"C[C@H](CCC(O)=O)[C@]1([H])CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)=O","PLOT_NAME":"3-dehydrocholate","CAS":"2304-89-4","CHEMSPIDER":"140376","HMDB":"HMDB00502","KEGG":"NA","PUBCHEM":"159655","PLATFORM":"Neg","metab.id":"M0100001062"},{"Metabolite":"7-ketodeoxycholate","CHEM_ID":"100001063","LIB_ID":"209","COMP_ID":"31904","CHRO_LIB_ENTRY_ID":"125786","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3557","TYPE":"NAMED","INCHIKEY":"RHCPKKNRWFXMAT-RRWYKFPJSA-N","SMILES":"[H][C@]1([C@]2(C)[C@](CC1)([H])[C@]3([H])C(C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]2O)=O)[C@H](C)CCC(O)=O","PLOT_NAME":"7-ketodeoxycholate","CAS":"911-40-0","CHEMSPIDER":"163659","HMDB":"HMDB0000391","KEGG":"NA","PUBCHEM":"188292","PLATFORM":"Neg","metab.id":"M0100001063"},{"Metabolite":"beta-muricholate","CHEM_ID":"100001066","LIB_ID":"209","COMP_ID":"31885","CHRO_LIB_ENTRY_ID":"126874","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3483","TYPE":"NAMED","INCHIKEY":"DKPMWHFRUGMUKF-CWNVCPLQSA-N","SMILES":"CC(C1CCC2C3[C@H]([C@H]([C@@]4(C[C@@H](CC[C@@]4(C3CC[C@]12C)C)O)[H])O)O)CCC(O)=O","PLOT_NAME":"beta-muricholate","CAS":"2393-59-1","CHEMSPIDER":"2340919","HMDB":"HMDB0000415","KEGG":"C17726","PUBCHEM":"5283853","PLATFORM":"Neg","metab.id":"M0100001066"},{"Metabolite":"6-oxolithocholate","CHEM_ID":"100001068","LIB_ID":"209","COMP_ID":"46336","CHRO_LIB_ENTRY_ID":"144864","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3543","TYPE":"NAMED","INCHIKEY":"JWZBXKZZDYMDCJ-IJPFKRJSSA-N","SMILES":"C[C@H](CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])CC([C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@]12C)=O","PLOT_NAME":"6-oxolithocholate","CAS":"2393-61-5","CHEMSPIDER":"144621","HMDB":"NA","KEGG":"NA","PUBCHEM":"164960","PLATFORM":"Neg","metab.id":"M0100001068"},{"Metabolite":"androsterone sulfate","CHEM_ID":"100001073","LIB_ID":"209","COMP_ID":"31591","CHRO_LIB_ENTRY_ID":"126075","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Androgenic Steroids","PATHWAY_SORTORDER":"3370","TYPE":"NAMED","INCHIKEY":"ZMITXKRGXGRMKS-HLUDHZFRSA-N","SMILES":"C[C@]1([C@](CC2)([H])[C@]3([H])CC[C@@]4([H])C[C@H](OS(=O)(O)=O)CC[C@]4(C)[C@@]3([H])CC1)C2=O","PLOT_NAME":"androsterone sulfate","CAS":"2479-86-9","CHEMSPIDER":"19988780","HMDB":"HMDB0002759","KEGG":"NA","PUBCHEM":"159663","PLATFORM":"Neg","metab.id":"M0100001073"},{"Metabolite":"dodecanedioate (C12-DC)","CHEM_ID":"100001102","LIB_ID":"209","COMP_ID":"32388","CHRO_LIB_ENTRY_ID":"125800","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1704","TYPE":"NAMED","INCHIKEY":"TVIDDXQYHWJXFK-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCCCC(O)=O)=O","PLOT_NAME":"dodecanedioate (C12)","CAS":"693-23-2","CHEMSPIDER":"12213","HMDB":"HMDB0000623","KEGG":"C02678","PUBCHEM":"12736","PLATFORM":"Neg","metab.id":"M0100001102"},{"Metabolite":"N-acetyltyrosine","CHEM_ID":"100001104","LIB_ID":"209","COMP_ID":"32390","CHRO_LIB_ENTRY_ID":"125802","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"168","TYPE":"NAMED","INCHIKEY":"CAHKINHBCWCHCF-JTQLQIEISA-N","SMILES":"OC1=CC=C(C[C@@H](C(O)=O)NC(C)=O)C=C1","PLOT_NAME":"N-acetyltyrosine","CAS":"537-55-3","CHEMSPIDER":"61606","HMDB":"HMDB0000866","KEGG":"NA","PUBCHEM":"68310","PLATFORM":"Neg","metab.id":"M0100001104"},{"Metabolite":"3-hydroxylaurate","CHEM_ID":"100001112","LIB_ID":"209","COMP_ID":"32457","CHRO_LIB_ENTRY_ID":"151499","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2003","TYPE":"NAMED","INCHIKEY":"MUCMKTPAZLSKTL-UHFFFAOYSA-N","SMILES":"OC(CC(CCCCCCCCC)O)=O","PLOT_NAME":"3-hydroxylaurate","CAS":"53941-38-1","CHEMSPIDER":"85026","HMDB":"HMDB0000387","KEGG":"NA","PUBCHEM":"94216","PLATFORM":"Neg","metab.id":"M0100001112"},{"Metabolite":"pyridoxate","CHEM_ID":"100001121","LIB_ID":"209","COMP_ID":"31555","CHRO_LIB_ENTRY_ID":"124697","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Vitamin B6 Metabolism","PATHWAY_SORTORDER":"4472","TYPE":"NAMED","INCHIKEY":"HXACOUQIXZGNBF-UHFFFAOYSA-N","SMILES":"OC1=C(C(O)=O)C(CO)=CN=C1C","PLOT_NAME":"pyridoxate","CAS":"82-82-6","CHEMSPIDER":"6467","HMDB":"HMDB0000017","KEGG":"C00847","PUBCHEM":"6723","PLATFORM":"Neg","metab.id":"M0100001121"},{"Metabolite":"3-hydroxysebacate","CHEM_ID":"100001145","LIB_ID":"209","COMP_ID":"31943","CHRO_LIB_ENTRY_ID":"125798","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2002","TYPE":"NAMED","INCHIKEY":"OQYZCCKCJQWHIE-UHFFFAOYSA-N","SMILES":"OC(CC(O)CCCCCCC(O)=O)=O","PLOT_NAME":"3-hydroxysebacate","CAS":"73141-46-5","CHEMSPIDER":"2285525","HMDB":"HMDB0000350","KEGG":"NA","PUBCHEM":"3017884","PLATFORM":"Neg","metab.id":"M0100001145"},{"Metabolite":"5-hydroxyhexanoate","CHEM_ID":"100001148","LIB_ID":"209","COMP_ID":"31938","CHRO_LIB_ENTRY_ID":"125792","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2013","TYPE":"NAMED","INCHIKEY":"YDCRNMJQROAWFT-UHFFFAOYSA-N","SMILES":"CC(O)CCCC(O)=O","PLOT_NAME":"5-hydroxyhexanoate","CAS":"44843-89-2","CHEMSPIDER":"149280","HMDB":"HMDB0000409,HMDB0000525","KEGG":"NA","PUBCHEM":"170748","PLATFORM":"Neg","metab.id":"M0100001148"},{"Metabolite":"propionylglycine","CHEM_ID":"100001150","LIB_ID":"209","COMP_ID":"31932","CHRO_LIB_ENTRY_ID":"143851","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (also BCAA Metabolism)","PATHWAY_SORTORDER":"1790","TYPE":"NAMED","INCHIKEY":"WOMAZEJKVZLLFE-UHFFFAOYSA-N","SMILES":"O=C(CC)NCC(O)=O","PLOT_NAME":"propionylglycine (C3)","CAS":"21709-90-0","CHEMSPIDER":"89122","HMDB":"HMDB0000783","KEGG":"NA","PUBCHEM":"98681","PLATFORM":"Neg","metab.id":"M0100001150"},{"Metabolite":"butyrylglycine","CHEM_ID":"100001151","LIB_ID":"209","COMP_ID":"31850","CHRO_LIB_ENTRY_ID":"125782","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (also BCAA Metabolism)","PATHWAY_SORTORDER":"1787","TYPE":"NAMED","INCHIKEY":"WPSSBBPLVMTKRN-UHFFFAOYSA-N","SMILES":"O=C(CNC(CCC)=O)O","PLOT_NAME":"butyrylglycine (C4)","CAS":"20208-73-5","CHEMSPIDER":"79766","HMDB":"HMDB0000808","KEGG":"NA","PUBCHEM":"88412","PLATFORM":"Neg","metab.id":"M0100001151"},{"Metabolite":"3-hydroxy-2-ethylpropionate","CHEM_ID":"100001170","LIB_ID":"209","COMP_ID":"32397","CHRO_LIB_ENTRY_ID":"125810","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"410","TYPE":"NAMED","INCHIKEY":"ZMZQVAUJTDKQGE-UHFFFAOYSA-N","SMILES":"O=C(O)C(CC)CO","PLOT_NAME":"3-hydroxy-2-ethylpropionate","CAS":"4374-62-3","CHEMSPIDER":"164207","HMDB":"HMDB0000396","KEGG":"NA","PUBCHEM":"188979","PLATFORM":"Neg","metab.id":"M0100001170"},{"Metabolite":"3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)","CHEM_ID":"100001178","LIB_ID":"209","COMP_ID":"31787","CHRO_LIB_ENTRY_ID":"142911","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1723","TYPE":"NAMED","INCHIKEY":"WMCQWXZMVIETAO-UHFFFAOYSA-N","SMILES":"CCCC1=C(C)C(C(O)=O)=C(CCC(O)=O)O1","PLOT_NAME":"3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)","CAS":"86879-39-2","CHEMSPIDER":"110498","HMDB":"HMDB0061112","KEGG":"NA","PUBCHEM":"123979","PLATFORM":"Neg","metab.id":"M0100001178"},{"Metabolite":"docosapentaenoate (n3 DPA; 22:5n3)","CHEM_ID":"100001181","LIB_ID":"209","COMP_ID":"32504","CHRO_LIB_ENTRY_ID":"125862","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1580","TYPE":"NAMED","INCHIKEY":"YUFFSWGQGVEMMI-JLNKQSITSA-N","SMILES":"O=C(O)CCCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","PLOT_NAME":"docosapentaenoate (DPA; 22:5n3)","CAS":"2234-74-4","CHEMSPIDER":"NA","HMDB":"HMDB0006528,HMDB0001976","KEGG":"C16513","PUBCHEM":"6441454","PLATFORM":"Neg","metab.id":"M0100001181"},{"Metabolite":"docosadienoate (22:2n6)","CHEM_ID":"100001182","LIB_ID":"209","COMP_ID":"32415","CHRO_LIB_ENTRY_ID":"125824","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1595","TYPE":"NAMED","INCHIKEY":"HVGRZDASOHMCSK-AVQMFFATSA-N","SMILES":"CCCCC/C=C/C/C=C/CCCCCCCCCCCC(O)=O","PLOT_NAME":"docosadienoate (22:2n6)","CAS":"7370-49-2","CHEMSPIDER":"4445934","HMDB":"HMDB0061714","KEGG":"C16533","PUBCHEM":"5282807","PLATFORM":"Neg","metab.id":"M0100001182"},{"Metabolite":"adrenate (22:4n6)","CHEM_ID":"100001193","LIB_ID":"209","COMP_ID":"32980","CHRO_LIB_ENTRY_ID":"125866","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1593","TYPE":"NAMED","INCHIKEY":"TWSWSIQAPQLDBP-CGRWFSSPSA-N","SMILES":"O=C(CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCCC)O","PLOT_NAME":"adrenate (22:4n6)","CAS":"2091-25-0","CHEMSPIDER":"4445971","HMDB":"HMDB0002226","KEGG":"C16527","PUBCHEM":"52,828,445,497,181","PLATFORM":"Neg","metab.id":"M0100001193"},{"Metabolite":"docosatrienoate (22:3n3)","CHEM_ID":"100001195","LIB_ID":"209","COMP_ID":"32417","CHRO_LIB_ENTRY_ID":"125826","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1582","TYPE":"NAMED","INCHIKEY":"WBBQTNCISCKUMU-IUQGRGSQSA-N","SMILES":"CC/C=C/C/C=C/C/C=C/CCCCCCCCCCCC(O)=O","PLOT_NAME":"docosatrienoate (22:3n3)","CAS":"59708-86-0","CHEMSPIDER":"4471981","HMDB":"HMDB0002823","KEGG":"C16534","PUBCHEM":"5312556","PLATFORM":"Neg","metab.id":"M0100001195"},{"Metabolite":"10-undecenoate (11:1n1)","CHEM_ID":"100001197","LIB_ID":"209","COMP_ID":"32497","CHRO_LIB_ENTRY_ID":"125854","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1518","TYPE":"NAMED","INCHIKEY":"FRPZMMHWLSIFAZ-UHFFFAOYSA-N","SMILES":"O=C(CCCCCCCCC=C)O[H]","PLOT_NAME":"10-undecenoate (11:1n1)","CAS":"1333-28-4","CHEMSPIDER":"10771160","HMDB":"HMDB0033724","KEGG":"C13910","PUBCHEM":"14891","PLATFORM":"Neg","metab.id":"M0100001197"},{"Metabolite":"myristoleate (14:1n5)","CHEM_ID":"100001198","LIB_ID":"209","COMP_ID":"32418","CHRO_LIB_ENTRY_ID":"125828","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1544","TYPE":"NAMED","INCHIKEY":"YWWVWXASSLXJHU-WAYWQWQTSA-N","SMILES":"O=C(CCCCCCC/C=C\\CCCC)O","PLOT_NAME":"myristoleate (14:1n5)","CAS":"544-64-9","CHEMSPIDER":"4444564","HMDB":"HMDB0002000","KEGG":"C08322","PUBCHEM":"5281119","PLATFORM":"Neg","metab.id":"M0100001198"},{"Metabolite":"sebacate (C10-DC)","CHEM_ID":"100001211","LIB_ID":"209","COMP_ID":"32398","CHRO_LIB_ENTRY_ID":"125812","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1699","TYPE":"NAMED","INCHIKEY":"CXMXRPHRNRROMY-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCC(O)=O)=O","PLOT_NAME":"sebacate (C10-DC)","CAS":"111-20-6","CHEMSPIDER":"5004","HMDB":"HMDB0000792","KEGG":"C08277","PUBCHEM":"5192","PLATFORM":"Neg","metab.id":"M0100001211"},{"Metabolite":"daidzein","CHEM_ID":"100001219","LIB_ID":"209","COMP_ID":"32453","CHRO_LIB_ENTRY_ID":"125842","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4893","TYPE":"NAMED","INCHIKEY":"ZQSIJRDFPHDXIC-UHFFFAOYSA-N","SMILES":"OC1=CC2=C(C(C(C3=CC=C(O)C=C3)=CO2)=O)C=C1","PLOT_NAME":"daidzein","CAS":"486-66-8","CHEMSPIDER":"4445025","HMDB":"HMDB0003312","KEGG":"C10208","PUBCHEM":"5281708","PLATFORM":"Neg","metab.id":"M0100001219"},{"Metabolite":"genistein","CHEM_ID":"100001221","LIB_ID":"209","COMP_ID":"32448","CHRO_LIB_ENTRY_ID":"125838","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4712","TYPE":"NAMED","INCHIKEY":"TZBJGXHYKVUXJN-UHFFFAOYSA-N","SMILES":"O=C1C(C(O)=C2)=C(C=C2O)OC=C1C(C=C3)=CC=C3O","PLOT_NAME":"genistein","CAS":"446-72-0","CHEMSPIDER":"4444448","HMDB":"HMDB0003217","KEGG":"C06563","PUBCHEM":"5280961","PLATFORM":"Neg","metab.id":"M0100001221"},{"Metabolite":"stearidonate (18:4n3)","CHEM_ID":"100001229","LIB_ID":"209","COMP_ID":"33969","CHRO_LIB_ENTRY_ID":"126890","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1575","TYPE":"NAMED","INCHIKEY":"JIWBIWFOSCKQMA-LTKCOYKYSA-N","SMILES":"CC\\C=C/C\\C=C/C\\C=C/C\\C=C/CCCCC(O)=O","PLOT_NAME":"stearidonate (18:4n3)","CAS":"111174-40-4","CHEMSPIDER":"4471933","HMDB":"HMDB0006547","KEGG":"C16300","PUBCHEM":"5312508","PLATFORM":"Neg","metab.id":"M0100001229"},{"Metabolite":"5-dodecenoate (12:1n7)","CHEM_ID":"100001232","LIB_ID":"209","COMP_ID":"33968","CHRO_LIB_ENTRY_ID":"126127","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1522","TYPE":"NAMED","INCHIKEY":"IJBFSOLHRKELLR-FPLPWBNLSA-N","SMILES":"CCCCCC\\C=C/CCCC(O)=O","PLOT_NAME":"5-dodecenoate (12:1n7)","CAS":"2430-94-6","CHEMSPIDER":"4471803","HMDB":"HMDB0000529","KEGG":"NA","PUBCHEM":"5312378","PLATFORM":"Neg","metab.id":"M0100001232"},{"Metabolite":"tauro-beta-muricholate","CHEM_ID":"100001250","LIB_ID":"209","COMP_ID":"33983","CHRO_LIB_ENTRY_ID":"126892","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3486","TYPE":"NAMED","INCHIKEY":"XSOLDPYUICCHJX-OEYGYFRSSA-N","SMILES":"O=S(CCNC(CC[C@@H](C)[C@@]1([H])CCC2C3[C@@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@]12C)=O)(O)=O","PLOT_NAME":"tauro-beta-muricholate","CAS":"25696-60-0","CHEMSPIDER":"147312","HMDB":"HMDB0000932","KEGG":"NA","PUBCHEM":"12,159,621,621,124,700,000,000","PLATFORM":"Neg","metab.id":"M0100001250"},{"Metabolite":"N-acetyltryptophan","CHEM_ID":"100001254","LIB_ID":"209","COMP_ID":"33959","CHRO_LIB_ENTRY_ID":"126119","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"260","TYPE":"NAMED","INCHIKEY":"DZTHIGRZJZPRDV-LBPRGKRZSA-N","SMILES":"O=C(O)[C@@H](NC(C)=O)CC1=CNC2=C1C=CC=C2","PLOT_NAME":"N-acetyltryptophan","CAS":"1218-34-4","CHEMSPIDER":"610602","HMDB":"HMDB0013713","KEGG":"C03137","PUBCHEM":"439,917,700,653","PLATFORM":"Neg","metab.id":"M0100001254"},{"Metabolite":"N-acetylphenylalanine","CHEM_ID":"100001256","LIB_ID":"209","COMP_ID":"33950","CHRO_LIB_ENTRY_ID":"126109","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Phenylalanine Metabolism","PATHWAY_SORTORDER":"144","TYPE":"NAMED","INCHIKEY":"CBQJSKKFNMDLON-JTQLQIEISA-N","SMILES":"O=C(O)[C@@H](NC(C)=O)CC1=CC=CC=C1","PLOT_NAME":"N-acetylphenylalanine","CAS":"2018-61-3","CHEMSPIDER":"67404","HMDB":"HMDB0000512","KEGG":"C03519","PUBCHEM":"74839","PLATFORM":"Neg","metab.id":"M0100001256"},{"Metabolite":"S-methylglutathione","CHEM_ID":"100001259","LIB_ID":"209","COMP_ID":"33944","CHRO_LIB_ENTRY_ID":"126880","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutathione Metabolism","PATHWAY_SORTORDER":"582","TYPE":"NAMED","INCHIKEY":"QTQDDTSVRVWHMO-UHFFFAOYSA-N","SMILES":"O=C(NCC(O)=O)C(CSC)NC(CCC(N)C(O)=O)=O","PLOT_NAME":"S-methylglutathione","CAS":"2922-56-7","CHEMSPIDER":"2841309","HMDB":"NA","KEGG":"C11347","PUBCHEM":"115260","PLATFORM":"Neg","metab.id":"M0100001259"},{"Metabolite":"N-acetylthreonine","CHEM_ID":"100001274","LIB_ID":"209","COMP_ID":"33939","CHRO_LIB_ENTRY_ID":"126095","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glycine, Serine and Threonine Metabolism","PATHWAY_SORTORDER":"18","TYPE":"NAMED","INCHIKEY":"PEDXUVCGOLSNLQ-UHFFFAOYSA-N","SMILES":"CC(O)C(C(O)=O)NC(C)=O","PLOT_NAME":"N-acetylthreonine","CAS":"17093-74-2","CHEMSPIDER":"3841173","HMDB":"HMDB0062557","KEGG":"NA","PUBCHEM":"152204","PLATFORM":"Neg","metab.id":"M0100001274"},{"Metabolite":"N-acetylisoleucine","CHEM_ID":"100001276","LIB_ID":"209","COMP_ID":"33967","CHRO_LIB_ENTRY_ID":"126125","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"392","TYPE":"NAMED","INCHIKEY":"JDTWZSUNGHMMJM-MSZQBOFLSA-N","SMILES":"CC(N[C@H](C(O)=O)C(C)CC)=O","PLOT_NAME":"N-acetylisoleucine","CAS":"3077-46-1","CHEMSPIDER":"2081100","HMDB":"HMDB0061684","KEGG":"NA","PUBCHEM":"306109","PLATFORM":"Neg","metab.id":"M0100001276"},{"Metabolite":"10-nonadecenoate (19:1n9)","CHEM_ID":"100001277","LIB_ID":"209","COMP_ID":"33972","CHRO_LIB_ENTRY_ID":"126131","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1558","TYPE":"NAMED","INCHIKEY":"BBOWBNGUEWHNQZ-KTKRTIGZSA-N","SMILES":"O=C(O)CCCCCCCC/C=C\\CCCCCCCC","PLOT_NAME":"10-nonadecenoate (19:1n9)","CAS":"73033-09-7","CHEMSPIDER":"4471938","HMDB":"HMDB0013622","KEGG":"NA","PUBCHEM":"5312513","PLATFORM":"Neg","metab.id":"M0100001277"},{"Metabolite":"10-heptadecenoate (17:1n7)","CHEM_ID":"100001278","LIB_ID":"209","COMP_ID":"33971","CHRO_LIB_ENTRY_ID":"126129","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1549","TYPE":"NAMED","INCHIKEY":"GDTXICBNEOEPAZ-FPLPWBNLSA-N","SMILES":"O=C(O)CCCCCCCC/C=C\\CCCCCC","PLOT_NAME":"10-heptadecenoate (17:1n7)","CAS":"29743-97-3","CHEMSPIDER":"4471860","HMDB":"HMDB0060038","KEGG":"NA","PUBCHEM":"5312435","PLATFORM":"Neg","metab.id":"M0100001278"},{"Metabolite":"hyocholate","CHEM_ID":"100001279","LIB_ID":"209","COMP_ID":"34093","CHRO_LIB_ENTRY_ID":"126896","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3545","TYPE":"NAMED","INCHIKEY":"DKPMWHFRUGMUKF-OAEKOJLISA-N","SMILES":"C[C@]12CC[C@@H](O)C[C@@]1([H])[C@@H](O)[C@@H](O)C3C2CC[C@@]4(C)C3CCC4C(CCC(O)=O)C","PLOT_NAME":"hyocholate","CAS":"547-75-1","CHEMSPIDER":"21403098","HMDB":"HMDB0000760","KEGG":"C17649","PUBCHEM":"92805","PLATFORM":"Neg","metab.id":"M0100001279"},{"Metabolite":"alpha-muricholate","CHEM_ID":"100001280","LIB_ID":"209","COMP_ID":"34092","CHRO_LIB_ENTRY_ID":"126894","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3484","TYPE":"NAMED","INCHIKEY":"DKPMWHFRUGMUKF-QFCFZQQBSA-N","SMILES":"CC(CCC(O)=O)C1CCC2C3[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@@]21C","PLOT_NAME":"alpha-muricholate","CAS":"2393-58-0","CHEMSPIDER":"2340918","HMDB":"HMDB0000506","KEGG":"C17647","PUBCHEM":"53477700","PLATFORM":"Neg","metab.id":"M0100001280"},{"Metabolite":"p-cresol sulfate","CHEM_ID":"100001315","LIB_ID":"209","COMP_ID":"36103","CHRO_LIB_ENTRY_ID":"143727","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4574","TYPE":"NAMED","INCHIKEY":"WGNAKZGUSRVWRH-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=C(C)C=C1)(O)=O","PLOT_NAME":"p-cresol sulfate","CAS":"3233-57-7","CHEMSPIDER":"3806480","HMDB":"HMDB0011635","KEGG":"NA","PUBCHEM":"4615423","PLATFORM":"Neg","metab.id":"M0100001315"},{"Metabolite":"eicosenoate (20:1)","CHEM_ID":"100001335","LIB_ID":"209","COMP_ID":"33587","CHRO_LIB_ENTRY_ID":"143715","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1561","TYPE":"NAMED","INCHIKEY":"BITHHVVYSMSWAG-KTKRTIGZSA-N","SMILES":"O=C(O)CCCCCCCCC/C=C\\CCCCCCCC","PLOT_NAME":"eicosenoate (20:1n9 or 1n11)","CAS":"NA","CHEMSPIDER":"4445895","HMDB":"HMDB0002231,HMDB0062436","KEGG":"C16526","PUBCHEM":"5,282,768,528,276,990,000","PLATFORM":"Neg","metab.id":"M0100001335"},{"Metabolite":"linolenate [alpha or gamma; (18:3n3 or 6)]","CHEM_ID":"100001337","LIB_ID":"209","COMP_ID":"34035","CHRO_LIB_ENTRY_ID":"143703","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1587","TYPE":"NAMED","INCHIKEY":"DTOSIQBPPRVQHS-PDBXOOCHSA-N","SMILES":"O=C(O)CCCCCCC/C=C\\C/C=C\\C/C=C\\CC","PLOT_NAME":"linolenate (18:3n3 or 3n6)","CAS":"NA","CHEMSPIDER":"4444437","HMDB":"HMDB0003073,HMDB0001388","KEGG":"C06426,C06427","PUBCHEM":"52,809,335,280,934","PLATFORM":"Neg","metab.id":"M0100001337"},{"Metabolite":"aconitate [cis or trans]","CHEM_ID":"100001359","LIB_ID":"209","COMP_ID":"46173","CHRO_LIB_ENTRY_ID":"144239","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1459","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"aconitate [cis or trans]","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000958,HMDB000072","KEGG":"C004174,C02341","PUBCHEM":"444,212,643,757","PLATFORM":"Neg","metab.id":"M0100001359"},{"Metabolite":"N6-carbamoylthreonyladenosine","CHEM_ID":"100001415","LIB_ID":"209","COMP_ID":"35157","CHRO_LIB_ENTRY_ID":"126974","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, Adenine containing","PATHWAY_SORTORDER":"4184","TYPE":"NAMED","INCHIKEY":"UNUYMBPXEFMLNW-HZPYULPISA-N","SMILES":"OC(C)C(C(O)=O)NC(NC1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)=O","PLOT_NAME":"N6-carbamoylthreonyladenosine","CAS":"24719-82-2","CHEMSPIDER":"141829","HMDB":"HMDB0041623","KEGG":"NA","PUBCHEM":"161466","PLATFORM":"Neg","metab.id":"M0100001415"},{"Metabolite":"phenylacetylglutamine","CHEM_ID":"100001417","LIB_ID":"209","COMP_ID":"35126","CHRO_LIB_ENTRY_ID":"126960","SUPER_PATHWAY":"Peptide","SUB_PATHWAY":"Acetylated Peptides","PATHWAY_SORTORDER":"1204","TYPE":"NAMED","INCHIKEY":"JFLIEFSWGNOPJJ-JTQLQIEISA-N","SMILES":"O=C(CC1=CC=CC=C1)N[C@@H](CCC(N)=O)C(O)=O","PLOT_NAME":"phenylacetylglutamine","CAS":"28047-15-6","CHEMSPIDER":"270643","HMDB":"HMDB0006344","KEGG":"C04148","PUBCHEM":"92258","PLATFORM":"Neg","metab.id":"M0100001417"},{"Metabolite":"4-hydroxyhippurate","CHEM_ID":"100001423","LIB_ID":"209","COMP_ID":"35527","CHRO_LIB_ENTRY_ID":"127577","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4491","TYPE":"NAMED","INCHIKEY":"ZMHLUFWWWPBTIU-UHFFFAOYSA-N","SMILES":"O=C(NCC(O)=O)C1=CC=C(O)C=C1","PLOT_NAME":"4-hydroxyhippurate","CAS":"2482-25-9","CHEMSPIDER":"133104","HMDB":"HMDB0013678","KEGG":"NA","PUBCHEM":"151012","PLATFORM":"Neg","metab.id":"M0100001423"},{"Metabolite":"5,6-dihydrouridine","CHEM_ID":"100001425","LIB_ID":"209","COMP_ID":"61833","CHRO_LIB_ENTRY_ID":"218435","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4242","TYPE":"NAMED","INCHIKEY":"ZPTBLXKRQACLCR-XVFCMESISA-N","SMILES":"OC[C@H]1O[C@@H](N2CCC(NC2=O)=O)[C@@H]([C@@H]1O)O","PLOT_NAME":"5,6-dihydrouridine","CAS":"5/4/27","CHEMSPIDER":"85115","HMDB":"HMDB0000497","KEGG":"NA","PUBCHEM":"94312","PLATFORM":"Neg","metab.id":"M0100001425"},{"Metabolite":"3-(3-amino-3-carboxypropyl)uridine*","CHEM_ID":"100001426","LIB_ID":"209","COMP_ID":"62924","CHRO_LIB_ENTRY_ID":"220780","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4264","TYPE":"NAMED","INCHIKEY":"YXNIEZJFCGTDKV-UHFFFAOYSA-N","SMILES":"OCC1C(O)C(O)C(N2C=CC(N(CCC(C(O)=O)N)C2=O)=O)O1","PLOT_NAME":"3-(3-amino-3-carboxypropyl)uridine*","CAS":"52745-94-5","CHEMSPIDER":"149669","HMDB":"NA","KEGG":"NA","PUBCHEM":"171198","PLATFORM":"Neg","metab.id":"M0100001426"},{"Metabolite":"1-arachidonylglycerol (20:4)","CHEM_ID":"100001433","LIB_ID":"209","COMP_ID":"34397","CHRO_LIB_ENTRY_ID":"126918","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Monoacylglycerol","PATHWAY_SORTORDER":"2881","TYPE":"NAMED","INCHIKEY":"DCPCOKIYJYGMDN-DOFZRALJSA-N","SMILES":"O=C(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)OCC(O)CO","PLOT_NAME":"1-arachidonylglycerol (20:4)","CAS":"35474-99-8","CHEMSPIDER":"4445452","HMDB":"HMDB11578","KEGG":"C13857","PUBCHEM":"160,199,805,282,281","PLATFORM":"Neg","metab.id":"M0100001433"},{"Metabolite":"1-palmitoyl-GPA (16:0)","CHEM_ID":"100001445","LIB_ID":"209","COMP_ID":"34428","CHRO_LIB_ENTRY_ID":"144736","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2600","TYPE":"NAMED","INCHIKEY":"YNDYKPRNFWPPFU-GOSISDBHSA-N","SMILES":"OP(OC[C@H](O)COC(CCCCCCCCCCCCCCC)=O)(O)=O","PLOT_NAME":"1-palmitoyl-GPA (16:0)","CAS":"17618-08-5","CHEMSPIDER":"4925335","HMDB":"HMDB00327","KEGG":"C04036","PUBCHEM":"6419701","PLATFORM":"Neg","metab.id":"M0100001445"},{"Metabolite":"5-methyluridine (ribothymidine)","CHEM_ID":"100001446","LIB_ID":"209","COMP_ID":"35136","CHRO_LIB_ENTRY_ID":"128207","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4244","TYPE":"NAMED","INCHIKEY":"DWRXFEITVBNRMK-JXOAFFINSA-N","SMILES":"O[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1N(C=C2C)C(NC2=O)=O","PLOT_NAME":"5-methyluridine (ribothymidine)","CAS":"1463-10-1","CHEMSPIDER":"393058","HMDB":"HMDB0000884","KEGG":"NA","PUBCHEM":"445408","PLATFORM":"Neg","metab.id":"M0100001446"},{"Metabolite":"isovalerylglycine","CHEM_ID":"100001452","LIB_ID":"209","COMP_ID":"35107","CHRO_LIB_ENTRY_ID":"126956","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"358","TYPE":"NAMED","INCHIKEY":"ZRQXMKMBBMNNQC-UHFFFAOYSA-N","SMILES":"O=C(O)CNC(CC(C)C)=O","PLOT_NAME":"isovalerylglycine","CAS":"16284-60-9","CHEMSPIDER":"475516","HMDB":"HMDB00678","KEGG":"NA","PUBCHEM":"546304","PLATFORM":"Neg","metab.id":"M0100001452"},{"Metabolite":"N1-methyl-2-pyridone-5-carboxamide","CHEM_ID":"100001468","LIB_ID":"209","COMP_ID":"40469","CHRO_LIB_ENTRY_ID":"143005","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Nicotinate and Nicotinamide Metabolism","PATHWAY_SORTORDER":"4344","TYPE":"NAMED","INCHIKEY":"JLQSXXWTCJPCBC-UHFFFAOYSA-N","SMILES":"O=C(C1=C([H])N(C(C([H])=C1[H])=O)C([H])([H])[H])N([H])[H]","PLOT_NAME":"N1-methyl-2-pyridone-5-carboxamide","CAS":"701-44-0","CHEMSPIDER":"62899","HMDB":"HMDB0004193","KEGG":"C05842","PUBCHEM":"69698","PLATFORM":"Neg","metab.id":"M0100001468"},{"Metabolite":"mead acid (20:3n9)","CHEM_ID":"100001472","LIB_ID":"209","COMP_ID":"35174","CHRO_LIB_ENTRY_ID":"126980","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1597","TYPE":"NAMED","INCHIKEY":"UNSRRHDPHVZAHH-YOILPLPUSA-N","SMILES":"O=C(O)CCC\\C=C/C/C=C\\C/C=C\\CCCCCCCC","PLOT_NAME":"mead acid (20:3n9)","CAS":"20590-32-3","CHEMSPIDER":"4471956","HMDB":"HMDB0010378","KEGG":"NA","PUBCHEM":"5312531","PLATFORM":"Neg","metab.id":"M0100001472"},{"Metabolite":"1-docosahexaenoylglycerol (22:6)","CHEM_ID":"100001481","LIB_ID":"209","COMP_ID":"35153","CHRO_LIB_ENTRY_ID":"128209","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Monoacylglycerol","PATHWAY_SORTORDER":"2885","TYPE":"NAMED","INCHIKEY":"JWPHORDRFVRZPP-KUBAVDMBSA-N","SMILES":"O=C(OCC(O)CO)CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC","PLOT_NAME":"1-docosahexaenoylglycerol (22:6)","CAS":"NA","CHEMSPIDER":"10477810","HMDB":"HMDB0011587","KEGG":"NA","PUBCHEM":"53480995","PLATFORM":"Neg","metab.id":"M0100001481"},{"Metabolite":"phenol sulfate","CHEM_ID":"100001510","LIB_ID":"209","COMP_ID":"32553","CHRO_LIB_ENTRY_ID":"143728","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"195","TYPE":"NAMED","INCHIKEY":"CTYRPMDGLDAWRQ-UHFFFAOYSA-N","SMILES":"OS(OC1=CC=CC=C1)(=O)=O","PLOT_NAME":"phenol sulfate","CAS":"937-34-8","CHEMSPIDER":"67018","HMDB":"HMDB0060015","KEGG":"C02180","PUBCHEM":"74426","PLATFORM":"Neg","metab.id":"M0100001510"},{"Metabolite":"hexanoylglycine","CHEM_ID":"100001527","LIB_ID":"209","COMP_ID":"35436","CHRO_LIB_ENTRY_ID":"128227","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (Acyl Glycine)","PATHWAY_SORTORDER":"1823","TYPE":"NAMED","INCHIKEY":"UPCKIPHSXMXJOX-UHFFFAOYSA-N","SMILES":"O=C(O)CNC(CCCCC)=O","PLOT_NAME":"hexanoylglycine (C6)","CAS":"24003-67-6","CHEMSPIDER":"89859","HMDB":"HMDB0000701","KEGG":"NA","PUBCHEM":"99463","PLATFORM":"Neg","metab.id":"M0100001527"},{"Metabolite":"2-hydroxy-3-methylvalerate","CHEM_ID":"100001541","LIB_ID":"209","COMP_ID":"36746","CHRO_LIB_ENTRY_ID":"128281","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"400","TYPE":"NAMED","INCHIKEY":"RILPIWOPNGRASR-UHFFFAOYSA-N","SMILES":"O=C(C(C(CC)C)O)O","PLOT_NAME":"2-hydroxy-3-methylvalerate","CAS":"488-15-3","CHEMSPIDER":"144317","HMDB":"HMDB0000317","KEGG":"NA","PUBCHEM":"164623","PLATFORM":"Neg","metab.id":"M0100001541"},{"Metabolite":"2-palmitoleoyl-GPC (16:1)*","CHEM_ID":"100001561","LIB_ID":"209","COMP_ID":"47118","CHRO_LIB_ENTRY_ID":"148450","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2621","TYPE":"NAMED","INCHIKEY":"GKXPPJQBVCKAGD-DJYGDJEFSA-N","SMILES":"OC[C@](OC(CCCCCCCC/C=C\\CCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O","PLOT_NAME":"2-palmitoleoyl-GPC (16:1)*","CAS":"NA","CHEMSPIDER":"21403164","HMDB":"HMDB10383","KEGG":"NA","PUBCHEM":"122164832","PLATFORM":"Neg","metab.id":"M0100001561"},{"Metabolite":"2-palmitoyl-GPC (16:0)*","CHEM_ID":"100001562","LIB_ID":"209","COMP_ID":"35253","CHRO_LIB_ENTRY_ID":"126137","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2619","TYPE":"NAMED","INCHIKEY":"NEGQHKSYEYVFTD-HSZRJFAPSA-N","SMILES":"OC[C@](OC(CCCCCCCCCCCCCCC)=O)([H])COP(OCC[N+](C)(C)C)([O-])=O","PLOT_NAME":"2-palmitoyl-GPC (16:0)*","CAS":"NA","CHEMSPIDER":"21403165","HMDB":"HMDB0061702","KEGG":"NA","PUBCHEM":"15061532","PLATFORM":"Neg","metab.id":"M0100001562"},{"Metabolite":"N-acetylcitrulline","CHEM_ID":"100001577","LIB_ID":"209","COMP_ID":"48434","CHRO_LIB_ENTRY_ID":"155079","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Urea cycle; Arginine and Proline Metabolism","PATHWAY_SORTORDER":"511","TYPE":"NAMED","INCHIKEY":"WMQMIOYQXNRROC-LURJTMIESA-N","SMILES":"OC([C@@H](NC(C)=O)CCCNC(N)=O)=O","PLOT_NAME":"N-acetylcitrulline","CAS":"33965-42-3","CHEMSPIDER":"571213","HMDB":"HMDB0000856","KEGG":"C15532,C02851","PUBCHEM":"656979","PLATFORM":"Neg","metab.id":"M0100001577"},{"Metabolite":"2-hydroxypalmitate","CHEM_ID":"100001579","LIB_ID":"209","COMP_ID":"35675","CHRO_LIB_ENTRY_ID":"128275","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1986","TYPE":"NAMED","INCHIKEY":"JGHSBPIZNUXPLA-UHFFFAOYSA-N","SMILES":"O=C(O)C(O)CCCCCCCCCCCCCC","PLOT_NAME":"2-hydroxypalmitate","CAS":"764-67-0","CHEMSPIDER":"83805","HMDB":"HMDB0031057","KEGG":"NA","PUBCHEM":"125,759,649,283,611,000,000","PLATFORM":"Neg","metab.id":"M0100001579"},{"Metabolite":"docosapentaenoate (n6 DPA; 22:5n6)","CHEM_ID":"100001580","LIB_ID":"209","COMP_ID":"37478","CHRO_LIB_ENTRY_ID":"127695","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1594","TYPE":"NAMED","INCHIKEY":"AVKOENOBFIYBSA-WMPRHZDHSA-N","SMILES":"OC(CC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O","PLOT_NAME":"docosapentaenoate (n6 DPA; 22:5n6)","CAS":"25182-74-5","CHEMSPIDER":"4945614","HMDB":"HMDB0001976","KEGG":"C16513","PUBCHEM":"6441454","PLATFORM":"Neg","metab.id":"M0100001580"},{"Metabolite":"phenylpropionylglycine","CHEM_ID":"100001591","LIB_ID":"209","COMP_ID":"35434","CHRO_LIB_ENTRY_ID":"128225","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4582","TYPE":"NAMED","INCHIKEY":"YEIQSAXUPKPPBN-UHFFFAOYSA-N","SMILES":"O=C(O)CNC(CCC1=CC=CC=C1)=O","PLOT_NAME":"phenylpropionylglycine","CAS":"56613-60-6","CHEMSPIDER":"134261","HMDB":"HMDB0000860","KEGG":"NA","PUBCHEM":"152323","PLATFORM":"Neg","metab.id":"M0100001591"},{"Metabolite":"hydroquinone sulfate","CHEM_ID":"100001604","LIB_ID":"209","COMP_ID":"35322","CHRO_LIB_ENTRY_ID":"144222","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Drug - Topical Agents","PATHWAY_SORTORDER":"5995","TYPE":"NAMED","INCHIKEY":"FPXPQMOQWJZYBL-UHFFFAOYSA-N","SMILES":"OC1=CC=C(C=C1)OS(=O)(O)=O","PLOT_NAME":"hydroquinone sulfate","CAS":"123-31-9","CHEMSPIDER":"141624","HMDB":"HMDB0240263","KEGG":"C00530","PUBCHEM":"161220","PLATFORM":"Neg","metab.id":"M0100001604"},{"Metabolite":"catechol sulfate","CHEM_ID":"100001605","LIB_ID":"209","COMP_ID":"35320","CHRO_LIB_ENTRY_ID":"143730","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4520","TYPE":"NAMED","INCHIKEY":"MZPWKJZDOCIALD-UHFFFAOYSA-N","SMILES":"O=S(OC1=C(O)C=CC=C1)(O)=O","PLOT_NAME":"catechol sulfate","CAS":"4918-96-1","CHEMSPIDER":"2341024","HMDB":"HMDB0059724","KEGG":"NA","PUBCHEM":"3083879","PLATFORM":"Neg","metab.id":"M0100001605"},{"Metabolite":"7alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca)","CHEM_ID":"100001609","LIB_ID":"209","COMP_ID":"36776","CHRO_LIB_ENTRY_ID":"128301","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Sterol","PATHWAY_SORTORDER":"3226","TYPE":"NAMED","INCHIKEY":"SATGKQGFUDXGAX-MYWFJNCASA-N","SMILES":"O=C(C(CCC[C@H]([C@H]1CC[C@H]2[C@H]3[C@@H]([C@]4(C)C(C[C@H]3O)=CC(CC4)=O)CC[C@@]21C)C)C)O","PLOT_NAME":"7-HOCA","CAS":"115538-85-7","CHEMSPIDER":"2338765","HMDB":"HMDB0012458","KEGG":"C17337","PUBCHEM":"3081085","PLATFORM":"Neg","metab.id":"M0100001609"},{"Metabolite":"3beta,7alpha-dihydroxy-5-cholestenoate","CHEM_ID":"100001611","LIB_ID":"209","COMP_ID":"36803","CHRO_LIB_ENTRY_ID":"143803","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Sterol","PATHWAY_SORTORDER":"3228","TYPE":"NAMED","INCHIKEY":"GYJSAWZGYQXRBS-GRJZKGIBSA-N","SMILES":"O[C@H]1[C@@]([C@@](CC2)([H])[C@](CC[C@@H]3O)(C)C(C3)=C1)([H])[C@@]4([H])[C@@]2(C)[C@]([C@H](C)CCCC(C)C(O)=O)([H])CC4","PLOT_NAME":"3beta,7alpha-dihydroxy-5-cholestenoate","CAS":"115538-84-6","CHEMSPIDER":"2338764","HMDB":"HMDB0012454","KEGG":"C17335","PUBCHEM":"3081084","PLATFORM":"Neg","metab.id":"M0100001611"},{"Metabolite":"tetradecanedioate (C14-DC)","CHEM_ID":"100001613","LIB_ID":"209","COMP_ID":"35669","CHRO_LIB_ENTRY_ID":"128271","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1709","TYPE":"NAMED","INCHIKEY":"HQHCYKULIHKCEB-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCC(O)=O","PLOT_NAME":"tetradecanedioate (C14)","CAS":"821-38-5","CHEMSPIDER":"12630","HMDB":"HMDB0000872","KEGG":"NA","PUBCHEM":"13185","PLATFORM":"Neg","metab.id":"M0100001613"},{"Metabolite":"hexadecanedioate (C16-DC)","CHEM_ID":"100001614","LIB_ID":"209","COMP_ID":"35678","CHRO_LIB_ENTRY_ID":"128277","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1713","TYPE":"NAMED","INCHIKEY":"QQHJDPROMQRDLA-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"hexadecanedioate (C16)","CAS":"505-54-4","CHEMSPIDER":"10027","HMDB":"HMDB0000672","KEGG":"C19615","PUBCHEM":"10459","PLATFORM":"Neg","metab.id":"M0100001614"},{"Metabolite":"octadecanedioate (C18-DC)","CHEM_ID":"100001615","LIB_ID":"209","COMP_ID":"36754","CHRO_LIB_ENTRY_ID":"128289","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1716","TYPE":"NAMED","INCHIKEY":"BNJOQKFENDDGSC-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"octadecanedioate (C18)","CAS":"871-70-5","CHEMSPIDER":"63283","HMDB":"HMDB0000782","KEGG":"NA","PUBCHEM":"70095","PLATFORM":"Neg","metab.id":"M0100001615"},{"Metabolite":"undecanedioate (C11-DC)","CHEM_ID":"100001617","LIB_ID":"209","COMP_ID":"42395","CHRO_LIB_ENTRY_ID":"128311","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1701","TYPE":"NAMED","INCHIKEY":"LWBHHRRTOZQPDM-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCC(O)=O","PLOT_NAME":"undecanedioate (C11-DC)","CAS":"1852-04-6","CHEMSPIDER":"15037","HMDB":"HMDB0000888","KEGG":"NA","PUBCHEM":"15816","PLATFORM":"Neg","metab.id":"M0100001617"},{"Metabolite":"3-(3-hydroxyphenyl)propionate","CHEM_ID":"100001624","LIB_ID":"209","COMP_ID":"35635","CHRO_LIB_ENTRY_ID":"128251","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4593","TYPE":"NAMED","INCHIKEY":"QVWAEZJXDYOKEH-UHFFFAOYSA-N","SMILES":"O=C(CCC1=CC(O)=CC=C1)O","PLOT_NAME":"3-(3-hydroxyphenyl)propionate","CAS":"621-54-5","CHEMSPIDER":"89","HMDB":"HMDB0000375","KEGG":"C11457","PUBCHEM":"91","PLATFORM":"Neg","metab.id":"M0100001624"},{"Metabolite":"6beta-hydroxylithocholate","CHEM_ID":"100001625","LIB_ID":"209","COMP_ID":"36807","CHRO_LIB_ENTRY_ID":"127591","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3513","TYPE":"NAMED","INCHIKEY":"DGABKXLVXPYZII-RRPBLVJSSA-N","SMILES":"C[C@]1(CC2)[C@](CC[C@@H]1[C@H](C)CCC(O)=O)([H])[C@@](C[C@H]3O)([H])[C@]2([H])[C@](CC4)(C)[C@]3([H])C[C@@H]4O","PLOT_NAME":"6beta-hydroxylithocholate","CAS":"668-49-5","CHEMSPIDER":"4446909","HMDB":"HMDB0000811","KEGG":"C15515","PUBCHEM":"5283821","PLATFORM":"Neg","metab.id":"M0100001625"},{"Metabolite":"jasmonic acid","CHEM_ID":"100001643","LIB_ID":"209","COMP_ID":"35659","CHRO_LIB_ENTRY_ID":"152810","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4969","TYPE":"NAMED","INCHIKEY":"ZNJFBWYDHIGLCU-HWKXXFMVSA-N","SMILES":"O=C(O)C[C@@H](CCC1=O)[C@H]1C/C=C\\CC","PLOT_NAME":"jasmonic acid","CAS":"77026-92-7","CHEMSPIDER":"4444606","HMDB":"HMDB0032797","KEGG":"C08491","PUBCHEM":"5281166","PLATFORM":"Neg","metab.id":"M0100001643"},{"Metabolite":"1-arachidonoyl-GPI (20:4)*","CHEM_ID":"100001654","LIB_ID":"209","COMP_ID":"34214","CHRO_LIB_ENTRY_ID":"142524","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2749","TYPE":"NAMED","INCHIKEY":"LXUGKKVCSTYZFK-OSKOXSHBSA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O)O)=O)([C@]1(O)[H])[H])O","PLOT_NAME":"1-arachidonoyl-GPI (20:4)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0061690","KEGG":"NA","PUBCHEM":"121596217","PLATFORM":"Neg","metab.id":"M0100001654"},{"Metabolite":"1-palmitoyl-GPI (16:0)","CHEM_ID":"100001655","LIB_ID":"209","COMP_ID":"35305","CHRO_LIB_ENTRY_ID":"146820","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2735","TYPE":"NAMED","INCHIKEY":"UOXRPRZMAROFPH-AQFLIPHUSA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCCCCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O","PLOT_NAME":"1-palmitoyl-GPI (16:0)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0061695","KEGG":"NA","PUBCHEM":"71296207","PLATFORM":"Neg","metab.id":"M0100001655"},{"Metabolite":"taurolithocholate 3-sulfate","CHEM_ID":"100001658","LIB_ID":"209","COMP_ID":"36850","CHRO_LIB_ENTRY_ID":"128309","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3522","TYPE":"NAMED","INCHIKEY":"HSNPMXROZIQAQD-VUIPEFFGSA-N","SMILES":"C[C@@]([C@]([C@@](CC1)([H])[C@@]2([H])[C@](CC3)(C)[C@]1([H])C[C@@H]3OS(=O)(O)=O)(CC4)[H])(CC2)[C@]4([H])[C@H](C)CCC(NCCS(O)(=O)=O)=O","PLOT_NAME":"taurolithocholate 3-sulfate","CAS":"64936-83-0","CHEMSPIDER":"389078","HMDB":"HMDB0002580","KEGG":"C03642","PUBCHEM":"440071","PLATFORM":"Neg","metab.id":"M0100001658"},{"Metabolite":"N6-succinyladenosine","CHEM_ID":"100001664","LIB_ID":"209","COMP_ID":"48130","CHRO_LIB_ENTRY_ID":"151119","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, Adenine containing","PATHWAY_SORTORDER":"4194","TYPE":"NAMED","INCHIKEY":"VKGZCEJTCKHMRL-UHFFFAOYSA-N","SMILES":"OCC(O1)C(O)C(O)C1N2C=NC3=C(NC(CC(O)=O)C(O)=O)N=CN=C32","PLOT_NAME":"N6-succinyladenosine","CAS":"4542-23-8","CHEMSPIDER":"NA","HMDB":"HMDB0000912","KEGG":"NA","PUBCHEM":"165243","PLATFORM":"Neg","metab.id":"M0100001664"},{"Metabolite":"N6-acetyllysine","CHEM_ID":"100001734","LIB_ID":"209","COMP_ID":"36752","CHRO_LIB_ENTRY_ID":"128287","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","PATHWAY_SORTORDER":"109","TYPE":"NAMED","INCHIKEY":"DTERQYGMUDWYAZ-ZETCQYMHSA-N","SMILES":"N[C@@H](CCCCNC(C)=O)C(O)=O","PLOT_NAME":"N6-acetyllysine","CAS":"692-04-6","CHEMSPIDER":"83801","HMDB":"HMDB0000206","KEGG":"C02727","PUBCHEM":"92832","PLATFORM":"Neg","metab.id":"M0100001734"},{"Metabolite":"dihomo-linolenate (20:3n3 or n6)","CHEM_ID":"100001739","LIB_ID":"209","COMP_ID":"35718","CHRO_LIB_ENTRY_ID":"143707","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1590","TYPE":"NAMED","INCHIKEY":"AHANXAKGNAKFSK-PDBXOOCHSA-N","SMILES":"CC\\C=C/C\\C=C/C\\C=C/CCCCCCCCCC(O)=O","PLOT_NAME":"dihomolinolenate (20:3n3 or 3n6)","CAS":"17046-59-2","CHEMSPIDER":"4471954","HMDB":"HMDB0002925","KEGG":"C03242","PUBCHEM":"5280581","PLATFORM":"Neg","metab.id":"M0100001739"},{"Metabolite":"4-vinylphenol sulfate","CHEM_ID":"100001755","LIB_ID":"209","COMP_ID":"36098","CHRO_LIB_ENTRY_ID":"144223","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4547","TYPE":"NAMED","INCHIKEY":"IETVQHUKTKKBFF-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=C(C=C)C=C1)(O)=O","PLOT_NAME":"4-vinylphenol sulfate","CAS":"2628-17-3","CHEMSPIDER":"4932200","HMDB":"HMDB0062775","KEGG":"C05627","PUBCHEM":"6426766","PLATFORM":"Neg","metab.id":"M0100001755"},{"Metabolite":"4-ethylphenylsulfate","CHEM_ID":"100001756","LIB_ID":"209","COMP_ID":"36099","CHRO_LIB_ENTRY_ID":"144224","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4545","TYPE":"NAMED","INCHIKEY":"DWZGLEPNCRFCEP-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=C(CC)C=C1)(O)=O","PLOT_NAME":"4-ethylphenyl sulfate","CAS":"123-07-9","CHEMSPIDER":"NA","HMDB":"HMDB0062551","KEGG":"C13637","PUBCHEM":"20822574","PLATFORM":"Neg","metab.id":"M0100001756"},{"Metabolite":"thymol sulfate","CHEM_ID":"100001757","LIB_ID":"209","COMP_ID":"36095","CHRO_LIB_ENTRY_ID":"144225","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5100","TYPE":"NAMED","INCHIKEY":"NODSEPOUFZPJEQ-UHFFFAOYSA-N","SMILES":"CC(C)C1=CC=C(C)C=C1OS(=O)(O)=O","PLOT_NAME":"thymol sulfate","CAS":"89-83-8","CHEMSPIDER":"10709958","HMDB":"HMDB0062720","KEGG":"C09908","PUBCHEM":"12456386","PLATFORM":"Neg","metab.id":"M0100001757"},{"Metabolite":"pyrraline","CHEM_ID":"100001767","LIB_ID":"209","COMP_ID":"48428","CHRO_LIB_ENTRY_ID":"155071","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5140","TYPE":"NAMED","INCHIKEY":"VTYFITADLSVOAS-UHFFFAOYSA-N","SMILES":"NC(C(O)=O)CCCCN1C(C=O)=CC=C1CO","PLOT_NAME":"pyrraline","CAS":"74509-14-1","CHEMSPIDER":"19980286","HMDB":"HMDB0033143","KEGG":"C21013","PUBCHEM":"14274616","PLATFORM":"Neg","metab.id":"M0100001767"},{"Metabolite":"1-oleoyl-GPI (18:1)","CHEM_ID":"100001777","LIB_ID":"209","COMP_ID":"36602","CHRO_LIB_ENTRY_ID":"146821","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2741","TYPE":"NAMED","INCHIKEY":"UGDOFRYHDCDVHD-JCASDCETSA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=C\\CCCCCCCC)=O)O)=O)([C@]1(O)[H])[H])O","PLOT_NAME":"1-oleoyl-GPI (18:1)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0061693","KEGG":"NA","PUBCHEM":"86289645","PLATFORM":"Neg","metab.id":"M0100001777"},{"Metabolite":"1-linoleoyl-GPI (18:2)*","CHEM_ID":"100001778","LIB_ID":"209","COMP_ID":"36594","CHRO_LIB_ENTRY_ID":"146822","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2743","TYPE":"NAMED","INCHIKEY":"SAHCQBPGXQFTRA-WNOZMNFTSA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(COC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)O)=O)([C@]1(O)[H])[H])O","PLOT_NAME":"1-linoleoyl-GPI* (18:2)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240597","KEGG":"NA","PUBCHEM":"11124828","PLATFORM":"Neg","metab.id":"M0100001778"},{"Metabolite":"1-palmitoleoyl-GPE (16:1)*","CHEM_ID":"100001784","LIB_ID":"209","COMP_ID":"34565","CHRO_LIB_ENTRY_ID":"149856","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2682","TYPE":"NAMED","INCHIKEY":"DSOWUEHXZJUNID-FPLPWBNLSA-N","SMILES":"O=P(OCCN)(O)OCC(O)COC(CCCCCCC/C=C\\CCCCCC)=O","PLOT_NAME":"1-palmitoleoyl-GPE (16:1)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0011474","KEGG":"NA","PUBCHEM":"53480923","PLATFORM":"Neg","metab.id":"M0100001784"},{"Metabolite":"o-cresol sulfate","CHEM_ID":"100001806","LIB_ID":"209","COMP_ID":"36845","CHRO_LIB_ENTRY_ID":"143732","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4581","TYPE":"NAMED","INCHIKEY":"CYGSXDXRHXMAOV-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=CC=C1C)(O)=O","PLOT_NAME":"o-cresol sulfate","CAS":"NA","CHEMSPIDER":"9790277","HMDB":"HMDB0011635","KEGG":"NA","PUBCHEM":"11615528","PLATFORM":"Neg","metab.id":"M0100001806"},{"Metabolite":"4-allylphenol sulfate","CHEM_ID":"100001868","LIB_ID":"209","COMP_ID":"37181","CHRO_LIB_ENTRY_ID":"144354","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5111","TYPE":"NAMED","INCHIKEY":"KFDHKOFCRYUXLA-UHFFFAOYSA-N","SMILES":"C=CCC1=CC=C(OS(=O)(O)=O)C=C1","PLOT_NAME":"4-allylphenol sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"66633409","PLATFORM":"Neg","metab.id":"M0100001868"},{"Metabolite":"taurocholenate sulfate*","CHEM_ID":"100001990","LIB_ID":"209","COMP_ID":"32807","CHRO_LIB_ENTRY_ID":"142566","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3556","TYPE":"NAMED","INCHIKEY":"OEDITLKCLMKBOM-UHFFFAOYSA-N","SMILES":"O=S(OC1CCC2(C)C(CCC3C2CCC4(C)C3CCC4C(CCC(NCCS(=O)(O)=O)=O)C)=C1)(O)=O","PLOT_NAME":"taurocholenate sulfate*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100001990"},{"Metabolite":"4-hydroxycoumarin","CHEM_ID":"100002049","LIB_ID":"209","COMP_ID":"37445","CHRO_LIB_ENTRY_ID":"151041","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Drug - Cardiovascular","PATHWAY_SORTORDER":"5685","TYPE":"NAMED","INCHIKEY":"VXIXUWQIVKSKSA-UHFFFAOYSA-N","SMILES":"OC(C1=CC=CC=C1O2)=CC2=O","PLOT_NAME":"4-hydroxycoumarin","CAS":"1076-38-6","CHEMSPIDER":"10254753","HMDB":"NA","KEGG":"C20414","PUBCHEM":"54682930","PLATFORM":"Neg","metab.id":"M0100002049"},{"Metabolite":"1-docosahexaenoyl-GPE (22:6)*","CHEM_ID":"100002060","LIB_ID":"209","COMP_ID":"44633","CHRO_LIB_ENTRY_ID":"142529","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2715","TYPE":"NAMED","INCHIKEY":"XEVRBOQZSXWGQO-FJXNLOIUSA-N","SMILES":"NCCOP(OC[C@](O)([H])COC(CC\\C=C/C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)=O)(O)=O","PLOT_NAME":"1-docosahexaenoyl-GPE (22:6)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100002060"},{"Metabolite":"gamma-CEHC","CHEM_ID":"100002094","LIB_ID":"209","COMP_ID":"44876","CHRO_LIB_ENTRY_ID":"127733","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4389","TYPE":"NAMED","INCHIKEY":"VMJQLPNCUPGMNQ-UHFFFAOYSA-N","SMILES":"OC1=C(C)C(C)=C(OC(C)(CCC(O)=O)CC2)C2=C1","PLOT_NAME":"gamma-CEHC","CAS":"178167-75-4","CHEMSPIDER":"117455","HMDB":"HMDB0001931","KEGG":"NA","PUBCHEM":"133098","PLATFORM":"Neg","metab.id":"M0100002094"},{"Metabolite":"N-acetyl-beta-alanine","CHEM_ID":"100002102","LIB_ID":"209","COMP_ID":"37432","CHRO_LIB_ENTRY_ID":"127667","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4261","TYPE":"NAMED","INCHIKEY":"LJLLAWRMBZNPMO-UHFFFAOYSA-N","SMILES":"CC(NCCC(O)=O)=O","PLOT_NAME":"N-acetyl-beta-alanine","CAS":"3025-95-4","CHEMSPIDER":"68881","HMDB":"HMDB0061880","KEGG":"C01073","PUBCHEM":"76406","PLATFORM":"Neg","metab.id":"M0100002102"},{"Metabolite":"3-hydroxyhippurate","CHEM_ID":"100002122","LIB_ID":"209","COMP_ID":"39600","CHRO_LIB_ENTRY_ID":"141918","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4489","TYPE":"NAMED","INCHIKEY":"XDOFWFNMYJRHEW-UHFFFAOYSA-N","SMILES":"O=C(C1=CC=CC(O)=C1)NCC(O)=O","PLOT_NAME":"3-hydroxyhippurate","CAS":"1637-75-8","CHEMSPIDER":"396603","HMDB":"HMDB0006116","KEGG":"NA","PUBCHEM":"450268","PLATFORM":"Neg","metab.id":"M0100002122"},{"Metabolite":"12-HETE","CHEM_ID":"100002167","LIB_ID":"209","COMP_ID":"37536","CHRO_LIB_ENTRY_ID":"143754","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Eicosanoid","PATHWAY_SORTORDER":"2159","TYPE":"NAMED","INCHIKEY":"ZNHVWPKMFKADKW-VXBMJZGYSA-N","SMILES":"OC(CCC/C=C\\C\\C=C/C=C/C(C/C=C\\CCCCC)O)=O","PLOT_NAME":"12-HETE","CAS":"73837-14-6,71030-37-0","CHEMSPIDER":"21509475","HMDB":"HMDB0006111","KEGG":"C14777","PUBCHEM":"5283155","PLATFORM":"Neg","metab.id":"M0100002167"},{"Metabolite":"1-margaroyl-GPE (17:0)*","CHEM_ID":"100002171","LIB_ID":"209","COMP_ID":"37419","CHRO_LIB_ENTRY_ID":"144194","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2686","TYPE":"NAMED","INCHIKEY":"RVNBVQKDPQVSOY-NRFANRHFSA-N","SMILES":"O=P(OCCN)(O)OC[C@@H](O)COC(CCCCCCCCCCCCCCCC)=O","PLOT_NAME":"1-margaroyl-GPE (17:0)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0061691","KEGG":"NA","PUBCHEM":"52925149","PLATFORM":"Neg","metab.id":"M0100002171"},{"Metabolite":"indole-3-carboxylate","CHEM_ID":"100002185","LIB_ID":"209","COMP_ID":"38116","CHRO_LIB_ENTRY_ID":"127709","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"321","TYPE":"NAMED","INCHIKEY":"KMAKOBLIOCQGJP-UHFFFAOYSA-N","SMILES":"O=C(C1=CNC2=C1C=CC=C2)O","PLOT_NAME":"indole-3-carboxylate","CAS":"771-50-6","CHEMSPIDER":"NA","HMDB":"HMDB0003320","KEGG":"C19837","PUBCHEM":"69867","PLATFORM":"Neg","metab.id":"M0100002185"},{"Metabolite":"13-HODE + 9-HODE","CHEM_ID":"100002196","LIB_ID":"209","COMP_ID":"37752","CHRO_LIB_ENTRY_ID":"145686","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2032","TYPE":"NAMED","INCHIKEY":"HNICUWMFWZBIFP-IRQZEAMPSA-N","SMILES":"OC(CCCCCCC/C=C\\C=C\\[C@H](CCCCC)O)=O","PLOT_NAME":"13-HODE + 9-HODE","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0004670,HMDB0004667","KEGG":"C14767,C14762","PUBCHEM":"53,128,305,282,945,100,000,000,000,000,000","PLATFORM":"Neg","metab.id":"M0100002196"},{"Metabolite":"alpha-CEHC","CHEM_ID":"100002206","LIB_ID":"209","COMP_ID":"48188","CHRO_LIB_ENTRY_ID":"153115","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4395","TYPE":"NAMED","INCHIKEY":"AXODOWFEFKOVSH-UHFFFAOYSA-N","SMILES":"OC1=C(C)C(C)=C(OC(C)(CCC(O)=O)CC2)C2=C1C","PLOT_NAME":"alpha-CEHC","CAS":"4072-32-6","CHEMSPIDER":"8119154","HMDB":"HMDB0001518","KEGG":"NA","PUBCHEM":"9943542","PLATFORM":"Neg","metab.id":"M0100002206"},{"Metabolite":"cinnamoylglycine","CHEM_ID":"100002253","LIB_ID":"209","COMP_ID":"38637","CHRO_LIB_ENTRY_ID":"141886","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4875","TYPE":"NAMED","INCHIKEY":"YAADMLWHGMUGQL-VOTSOKGWSA-N","SMILES":"O=C(NCC(O)=O)/C=C/C1=CC=CC=C1","PLOT_NAME":"cinnamoylglycine","CAS":"16534-24-0","CHEMSPIDER":"618829","HMDB":"HMDB0011621","KEGG":"NA","PUBCHEM":"709625","PLATFORM":"Neg","metab.id":"M0100002253"},{"Metabolite":"(12 or 13)-methylmyristate (a15:0 or i15:0)","CHEM_ID":"100002344","LIB_ID":"209","COMP_ID":"38293","CHRO_LIB_ENTRY_ID":"141840","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Branched","PATHWAY_SORTORDER":"1655","TYPE":"NAMED","INCHIKEY":"ZOCYQVNGROEVLU-UHFFFAOYSA-N","SMILES":"CC(C)CCCCCCCCCCCC(O)=O","PLOT_NAME":"(12 or 13)-methylmyristate (a15:0 or i15:0)","CAS":"2485-71-4","CHEMSPIDER":"133106","HMDB":"HMDB0061707","KEGG":"NA","PUBCHEM":"151014","PLATFORM":"Neg","metab.id":"M0100002344"},{"Metabolite":"(16 or 17)-methylstearate (a19:0 or i19:0)","CHEM_ID":"100002356","LIB_ID":"209","COMP_ID":"38296","CHRO_LIB_ENTRY_ID":"141846","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Branched","PATHWAY_SORTORDER":"1666","TYPE":"NAMED","INCHIKEY":"YETXGSGCWODRAA-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCCCCCCCCC(C)C)=O","PLOT_NAME":"(16 or 17)-methylstearate (a19:0 or i19:0)","CAS":"2724-59-6","CHEMSPIDER":"2340933","HMDB":"HMDB0037397","KEGG":"NA","PUBCHEM":"3083779","PLATFORM":"Neg","metab.id":"M0100002356"},{"Metabolite":"2-arachidonoyl-GPI (20:4)*","CHEM_ID":"100002470","LIB_ID":"209","COMP_ID":"38077","CHRO_LIB_ENTRY_ID":"149698","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2750","TYPE":"NAMED","INCHIKEY":"OJFNCVWSQAZLNM-WQHTYANMSA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(O[C@](COC(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\CCCCC)=O)(CO)[H])=O)([C@]1(O)[H])[H])O","PLOT_NAME":"2-arachidonoyl-GPI (20:4)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100002470"},{"Metabolite":"sulfate*","CHEM_ID":"100002528","LIB_ID":"209","COMP_ID":"46960","CHRO_LIB_ENTRY_ID":"148213","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6117","TYPE":"NAMED","INCHIKEY":"QAOWNCQODCNURD-UHFFFAOYSA-N","SMILES":"OS(O)(=O)=O","PLOT_NAME":"sulfate*","CAS":"14808-79-8","CHEMSPIDER":"1086","HMDB":"HMDB01448","KEGG":"C00059","PUBCHEM":"5152822","PLATFORM":"Neg","metab.id":"M0100002528"},{"Metabolite":"S-methylcysteine","CHEM_ID":"100002749","LIB_ID":"209","COMP_ID":"39592","CHRO_LIB_ENTRY_ID":"141914","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"463","TYPE":"NAMED","INCHIKEY":"IDIDJDIHTAOVLG-VKHMYHEASA-N","SMILES":"OC([C@H](CSC)N)=O","PLOT_NAME":"S-methylcysteine","CAS":"1187-84-4","CHEMSPIDER":"22826","HMDB":"HMDB0002108","KEGG":"NA","PUBCHEM":"24,417,705,817,488,100","PLATFORM":"Neg","metab.id":"M0100002749"},{"Metabolite":"11-dehydrocorticosterone","CHEM_ID":"100002781","LIB_ID":"209","COMP_ID":"39779","CHRO_LIB_ENTRY_ID":"141940","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Corticosteroids","PATHWAY_SORTORDER":"3321","TYPE":"NAMED","INCHIKEY":"FUFLCEKSBBHCMO-IWBQTIMDSA-N","SMILES":"O=C(C1[C@@]2(C)CC([C@]([C@@]([C@]2([H])CC1)([H])CC3)([H])[C@@](C3=C4)(C)CCC4=O)=O)CO","PLOT_NAME":"11-dehydrocorticosterone","CAS":"72-23-1","CHEMSPIDER":"NA","HMDB":"HMDB0004029","KEGG":"C05490","PUBCHEM":"6290","PLATFORM":"Neg","metab.id":"M0100002781"},{"Metabolite":"cis-4-decenoate (10:1n6)*","CHEM_ID":"100002796","LIB_ID":"209","COMP_ID":"62873","CHRO_LIB_ENTRY_ID":"220667","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1513","TYPE":"NAMED","INCHIKEY":"XKZKQTCECFWKBN-SREVYHEPSA-N","SMILES":"OC(CC\\C=C/CCCCC)=O","PLOT_NAME":"cis-4-decenoate (10:1n6)*","CAS":"505-90-8","CHEMSPIDER":"4471776","HMDB":"HMDB0004980","KEGG":"NA","PUBCHEM":"5282726","PLATFORM":"Neg","metab.id":"M0100002796"},{"Metabolite":"1-(1-enyl-palmitoyl)-GPC (P-16:0)*","CHEM_ID":"100002875","LIB_ID":"209","COMP_ID":"52474","CHRO_LIB_ENTRY_ID":"165163","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysoplasmalogen","PATHWAY_SORTORDER":"2852","TYPE":"NAMED","INCHIKEY":"HTZINLFNXLXRBC-CQLBIITFSA-N","SMILES":"CCCCCCCCCCCCCC/C=C\\OC[C@H](COP([O-])(OCC[N+](C)(C)C)=O)O","PLOT_NAME":"1-(1-enyl-palmitoyl)-GPC (P-16:0)*","CAS":"NA","CHEMSPIDER":"9093054","HMDB":"HMDB0010407","KEGG":"NA","PUBCHEM":"10917802","PLATFORM":"Neg","metab.id":"M0100002875"},{"Metabolite":"tauroursodeoxycholate","CHEM_ID":"100002912","LIB_ID":"209","COMP_ID":"39378","CHRO_LIB_ENTRY_ID":"143716","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3538","TYPE":"NAMED","INCHIKEY":"BHTRKEVKTKCXOH-BWIGJTJCSA-N","SMILES":"O=C(NCCS(=O)(O)=O)CC[C@@H](C)C1CC[C@@]2([H])[C@]3([H])[C@@H](O)CC4C[C@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C","PLOT_NAME":"tauroursodeoxycholate","CAS":"14605-22-2","CHEMSPIDER":"24539842","HMDB":"HMDB0000874","KEGG":"NA","PUBCHEM":"9848818","PLATFORM":"Neg","metab.id":"M0100002912"},{"Metabolite":"ursocholate","CHEM_ID":"100002913","LIB_ID":"209","COMP_ID":"57573","CHRO_LIB_ENTRY_ID":"212122","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3566","TYPE":"NAMED","INCHIKEY":"BHQCQFFYRZLCQQ-QQODLWJBSA-N","SMILES":"C[C@@]12[C@](CCC2[C@H](C)CCC(O)=O)([H])[C@]3([H])[C@@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@@H]1O","PLOT_NAME":"ursocholate","CAS":"2955-27-3","CHEMSPIDER":"NA","HMDB":"HMDB0000917","KEGG":"C17644","PUBCHEM":"122340","PLATFORM":"Neg","metab.id":"M0100002913"},{"Metabolite":"(14 or 15)-methylpalmitate (a17:0 or i17:0)","CHEM_ID":"100002945","LIB_ID":"209","COMP_ID":"38768","CHRO_LIB_ENTRY_ID":"143701","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Branched","PATHWAY_SORTORDER":"1660","TYPE":"NAMED","INCHIKEY":"IIUXHTGBZYEGHI-UHFFFAOYSA-N","SMILES":"CC(CCCCCCCCCCCCCC(O)=O)C","PLOT_NAME":"(14 or 15)-methylpalmitate (a17:0 or i17:0)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0061859","KEGG":"C16995","PUBCHEM":"818,117,903,417","PLATFORM":"Neg","metab.id":"M0100002945"},{"Metabolite":"eicosanedioate (C20-DC)","CHEM_ID":"100002951","LIB_ID":"209","COMP_ID":"39831","CHRO_LIB_ENTRY_ID":"141952","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1720","TYPE":"NAMED","INCHIKEY":"JJOJFIHJIRWASH-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"eicosanedioate (C20-DC)","CAS":"2424-92-2","CHEMSPIDER":"68030","HMDB":"NA","KEGG":"NA","PUBCHEM":"75502","PLATFORM":"Neg","metab.id":"M0100002951"},{"Metabolite":"docosadioate (C22-DC)","CHEM_ID":"100002952","LIB_ID":"209","COMP_ID":"39837","CHRO_LIB_ENTRY_ID":"141956","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1722","TYPE":"NAMED","INCHIKEY":"DGXRZJSPDXZJFG-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"docosadioate (C22-DC)","CAS":"505-56-6","CHEMSPIDER":"214170","HMDB":"NA","KEGG":"C14240","PUBCHEM":"7641","PLATFORM":"Neg","metab.id":"M0100002952"},{"Metabolite":"16-hydroxypalmitate","CHEM_ID":"100002953","LIB_ID":"209","COMP_ID":"39609","CHRO_LIB_ENTRY_ID":"141922","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2028","TYPE":"NAMED","INCHIKEY":"UGAGPNKCDRTDHP-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCCCCCCCCO)=O","PLOT_NAME":"16-hydroxypalmitate","CAS":"506-13-8","CHEMSPIDER":"10034","HMDB":"HMDB0006294","KEGG":"C18218","PUBCHEM":"10466","PLATFORM":"Neg","metab.id":"M0100002953"},{"Metabolite":"2-stearoyl-GPI (18:0)*","CHEM_ID":"100003008","LIB_ID":"209","COMP_ID":"39223","CHRO_LIB_ENTRY_ID":"149867","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2740","TYPE":"NAMED","INCHIKEY":"GRWOGFDNIAYTPK-DTNGDMSLSA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(O[C@](COC(CCCCCCCCCCCCCCCCC)=O)(CO)[H])=O)([C@]1(O)[H])[H])O","PLOT_NAME":"2-stearoyl-GPI (18:0)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0061704","KEGG":"NA","PUBCHEM":"131770413","PLATFORM":"Neg","metab.id":"M0100003008"},{"Metabolite":"alpha-CEHC glucuronide*","CHEM_ID":"100003101","LIB_ID":"209","COMP_ID":"39346","CHRO_LIB_ENTRY_ID":"144302","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4391","TYPE":"NAMED","INCHIKEY":"MWDYOFPRWKTECC-UHFFFAOYSA-N","SMILES":"OC(C1C(O)C(O)C(O)C(OC2=C(C)C(C)=C(OC(C)(CCC(O)=O)CC3)C3=C2C)O1)=O","PLOT_NAME":"alpha-CEHC glucuronide*","CAS":"477200-36-5","CHEMSPIDER":"NA","HMDB":"HMDB0062445","KEGG":"NA","PUBCHEM":"134819285","PLATFORM":"Neg","metab.id":"M0100003101"},{"Metabolite":"N-oleoyltaurine","CHEM_ID":"100003119","LIB_ID":"209","COMP_ID":"39732","CHRO_LIB_ENTRY_ID":"143757","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2190","TYPE":"NAMED","INCHIKEY":"KOGRJTUIKPMZEJ-KTKRTIGZSA-N","SMILES":"O=C(CCCCCCC/C=C\\CCCCCCCC)NCCS(O)(=O)=O","PLOT_NAME":"N-oleoyltaurine","CAS":"52514-04-2","CHEMSPIDER":"4941625","HMDB":"NA","KEGG":"NA","PUBCHEM":"6437033","PLATFORM":"Neg","metab.id":"M0100003119"},{"Metabolite":"N-palmitoyltaurine","CHEM_ID":"100003239","LIB_ID":"209","COMP_ID":"39835","CHRO_LIB_ENTRY_ID":"141954","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2192","TYPE":"NAMED","INCHIKEY":"LPDJCYFKKSLKRO-UHFFFAOYSA-N","SMILES":"O=C(NCCS(=O)(O)=O)CCCCCCCCCCCCCCC","PLOT_NAME":"N-palmitoyltaurine","CAS":"83982-06-3","CHEMSPIDER":"14435932","HMDB":"NA","KEGG":"NA","PUBCHEM":"14504290","PLATFORM":"Neg","metab.id":"M0100003239"},{"Metabolite":"N-stearoyltaurine","CHEM_ID":"100003240","LIB_ID":"209","COMP_ID":"39730","CHRO_LIB_ENTRY_ID":"143759","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2191","TYPE":"NAMED","INCHIKEY":"LMIJIHJZVURGQK-UHFFFAOYSA-N","SMILES":"O=C(CCCCCCCCCCCCCCCCC)NCCS(=O)(O)=O","PLOT_NAME":"N-stearoyltaurine","CAS":"63155-80-6","CHEMSPIDER":"147194","HMDB":"NA","KEGG":"NA","PUBCHEM":"168274","PLATFORM":"Neg","metab.id":"M0100003240"},{"Metabolite":"beta-citrylglutamate","CHEM_ID":"100003271","LIB_ID":"209","COMP_ID":"54923","CHRO_LIB_ENTRY_ID":"208316","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutamate Metabolism","PATHWAY_SORTORDER":"58","TYPE":"NAMED","INCHIKEY":"GAQNUGISBQJMKO-UHFFFAOYSA-N","SMILES":"OC(CC(C(NC(CCC(O)=O)C(O)=O)=O)(CC(O)=O)O)=O","PLOT_NAME":"beta-citrylglutamate","CAS":"73590-26-8","CHEMSPIDER":"19992713","HMDB":"NA","KEGG":"C20775","PUBCHEM":"189741","PLATFORM":"Neg","metab.id":"M0100003271"},{"Metabolite":"equol sulfate","CHEM_ID":"100003429","LIB_ID":"209","COMP_ID":"40478","CHRO_LIB_ENTRY_ID":"143877","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4914","TYPE":"NAMED","INCHIKEY":"UXOJWGSGKUYMIA-UHFFFAOYSA-N","SMILES":"OC1=CC(OC2)=C(C=C1)CC2C3=CC=C(OS(=O)(O)=O)C=C3","PLOT_NAME":"equol sulfate","CAS":"NA","CHEMSPIDER":"23936050","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100003429"},{"Metabolite":"dihydroferulate","CHEM_ID":"100003432","LIB_ID":"209","COMP_ID":"40481","CHRO_LIB_ENTRY_ID":"143017","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4901","TYPE":"NAMED","INCHIKEY":"BOLQJTPHPSDZHR-UHFFFAOYSA-N","SMILES":"O=C(CCC1=CC=C(O)C(OC)=C1)O","PLOT_NAME":"dihydroferulate","CAS":"1135-23-5","CHEMSPIDER":"13701","HMDB":"HMDB0062121","KEGG":"NA","PUBCHEM":"14340","PLATFORM":"Neg","metab.id":"M0100003432"},{"Metabolite":"N-palmitoylglycine","CHEM_ID":"100003686","LIB_ID":"209","COMP_ID":"42092","CHRO_LIB_ENTRY_ID":"143937","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (Acyl Glycine)","PATHWAY_SORTORDER":"1841","TYPE":"NAMED","INCHIKEY":"KVTFEOAKFFQCCX-UHFFFAOYSA-N","SMILES":"O=C(CCCCCCCCCCCCCCC)NCC(O)=O","PLOT_NAME":"N-palmitoylglycine","CAS":"2441-41-0","CHEMSPIDER":"133100","HMDB":"HMDB0013034","KEGG":"NA","PUBCHEM":"151008","PLATFORM":"Neg","metab.id":"M0100003686"},{"Metabolite":"glycohyodeoxycholate","CHEM_ID":"100003868","LIB_ID":"209","COMP_ID":"43501","CHRO_LIB_ENTRY_ID":"151113","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3550","TYPE":"NAMED","INCHIKEY":"SPOIYSFQOFYOFZ-BRDORRHWSA-N","SMILES":"O=C(CNC(CC[C@H]([C@@H]1[C@@]2(C)CC[C@H]3[C@H]([C@@H]2CC1)C[C@@H]([C@@H]4C[C@@H](CC[C@]34C)O)O)C)=O)O","PLOT_NAME":"glycohyodeoxycholate","CAS":"13042-33-6","CHEMSPIDER":"102648","HMDB":"NA","KEGG":"NA","PUBCHEM":"114611","PLATFORM":"Neg","metab.id":"M0100003868"},{"Metabolite":"taurohyodeoxycholic acid","CHEM_ID":"100003869","LIB_ID":"209","COMP_ID":"43588","CHRO_LIB_ENTRY_ID":"145259","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3549","TYPE":"NAMED","INCHIKEY":"HMXPOCDLAFAFNT-BHYUGXBJSA-N","SMILES":"C[C@@H]([C@H]1CC[C@H]2[C@@H]3C[C@@H]([C@@H]4C[C@@H](CC[C@@]4([C@H]3CC[C@]12C)C)O)O)CCC(NCCS(=O)(O)=O)=O","PLOT_NAME":"taurohyodeoxycholic acid","CAS":"38411-85-7","CHEMSPIDER":"106373","HMDB":"HMDB0000874","KEGG":"NA","PUBCHEM":"12443252","PLATFORM":"Neg","metab.id":"M0100003869"},{"Metabolite":"equol glucuronide","CHEM_ID":"100003895","LIB_ID":"209","COMP_ID":"41948","CHRO_LIB_ENTRY_ID":"151109","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4913","TYPE":"NAMED","INCHIKEY":"XDPLKWRSVXUQBN-WKXGUSGUSA-N","SMILES":"OC1=CC=C(C2CC3=C(C=C(C=C3)O[C@H]4[C@@H](O)[C@@H](O)[C@H](O)C(C(O)=O)O4)OC2)C=C1","PLOT_NAME":"equol glucuronide","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"46781484","PLATFORM":"Neg","metab.id":"M0100003895"},{"Metabolite":"2-stearoyl-GPE (18:0)*","CHEM_ID":"100003901","LIB_ID":"209","COMP_ID":"41220","CHRO_LIB_ENTRY_ID":"142786","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2688","TYPE":"NAMED","INCHIKEY":"KIHAGWUUUHJRMS-JOCHJYFZSA-N","SMILES":"OC[C@@H](OC(CCCCCCCCCCCCCCCCC)=O)COP(OCC[NH3+])([O-])=O","PLOT_NAME":"2-stearoyl-GPE (18:0)*","CAS":"NA","CHEMSPIDER":"24769218","HMDB":"HMDB0011129","KEGG":"NA","PUBCHEM":"9,065,845,353,480,660","PLATFORM":"Neg","metab.id":"M0100003901"},{"Metabolite":"tauro-alpha-muricholate","CHEM_ID":"100004064","LIB_ID":"209","COMP_ID":"42605","CHRO_LIB_ENTRY_ID":"143957","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3485","TYPE":"NAMED","INCHIKEY":"XSOLDPYUICCHJX-PTKAHPSKSA-N","SMILES":"O[C@H]1C(C2[C@](CC[C@H]3O)(C)C(C3)[C@@H]1O)C4[C@@](CC2)(C)C(C(C)CCC(NCCS(O)(=O)=O)=O)CC4","PLOT_NAME":"tauro-alpha-muricholate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000932","KEGG":"NA","PUBCHEM":"101657566","PLATFORM":"Neg","metab.id":"M0100004064"},{"Metabolite":"taurohyocholate*","CHEM_ID":"100004084","LIB_ID":"209","COMP_ID":"42603","CHRO_LIB_ENTRY_ID":"219576","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3547","TYPE":"NAMED","INCHIKEY":"XSOLDPYUICCHJX-QZWOQUDZSA-N","SMILES":"O[C@H]1C(C2[C@](CC[C@H]3O)(C)C(C3)[C@H]1O)C4[C@@](CC2)(C)C([C@H](C)CCC(NCCS(O)(=O)=O)=O)CC4","PLOT_NAME":"taurohyocholate*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0011637","KEGG":"C15516","PUBCHEM":"11954195","PLATFORM":"Neg","metab.id":"M0100004084"},{"Metabolite":"2-hydroxydecanoate","CHEM_ID":"100004089","LIB_ID":"209","COMP_ID":"42489","CHRO_LIB_ENTRY_ID":"144357","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1980","TYPE":"NAMED","INCHIKEY":"GHPVDCPCKSNJDR-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CCCCCCCC","PLOT_NAME":"2-hydroxydecanoate","CAS":"5393-81-7","CHEMSPIDER":"20195","HMDB":"HMDB0094656","KEGG":"NA","PUBCHEM":"21488","PLATFORM":"Neg","metab.id":"M0100004089"},{"Metabolite":"4-methylcatechol sulfate","CHEM_ID":"100004111","LIB_ID":"209","COMP_ID":"46146","CHRO_LIB_ENTRY_ID":"144253","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4527","TYPE":"NAMED","INCHIKEY":"NCOMUGOPQPRVSE-UHFFFAOYSA-N","SMILES":"OC1=CC(C)=CC=C1OS(O)(=O)=O","PLOT_NAME":"4-methylcatechol sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240459","KEGG":"NA","PUBCHEM":"54104170","PLATFORM":"Neg","metab.id":"M0100004111"},{"Metabolite":"guaiacol sulfate","CHEM_ID":"100004208","LIB_ID":"209","COMP_ID":"46111","CHRO_LIB_ENTRY_ID":"143736","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4523","TYPE":"NAMED","INCHIKEY":"AQTYXAPIHMXAAV-UHFFFAOYSA-N","SMILES":"COC1=C(OS(O)(=O)=O)C=CC=C1","PLOT_NAME":"guaiacol sulfate","CAS":"NA","CHEMSPIDER":"21078","HMDB":"HMDB0060013","KEGG":"NA","PUBCHEM":"22473","PLATFORM":"Neg","metab.id":"M0100004208"},{"Metabolite":"gamma-CEHC glucuronide*","CHEM_ID":"100004243","LIB_ID":"209","COMP_ID":"42381","CHRO_LIB_ENTRY_ID":"144301","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4390","TYPE":"NAMED","INCHIKEY":"NOZSTAZEOBPSBY-UHFFFAOYSA-N","SMILES":"OC(C1C(O)C(O)C(O)C(OC2=C(C)C(C)=C(OC(C)(CCC(O)=O)CC3)C3=C2)O1)=O","PLOT_NAME":"gamma-CEHC glucuronide*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"121596235","PLATFORM":"Neg","metab.id":"M0100004243"},{"Metabolite":"2,8-quinolinediol sulfate","CHEM_ID":"100004321","LIB_ID":"209","COMP_ID":"48691","CHRO_LIB_ENTRY_ID":"207569","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4799","TYPE":"NAMED","INCHIKEY":"ZLYUIVZAQHFCNP-UHFFFAOYSA-N","SMILES":"O=C1C=CC2=CC=CC(OS(=O)(O)=O)=C2N1","PLOT_NAME":"2,8-quinolinediol sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240658","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100004321"},{"Metabolite":"2-aminophenol sulfate","CHEM_ID":"100004322","LIB_ID":"209","COMP_ID":"43266","CHRO_LIB_ENTRY_ID":"143737","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5273","TYPE":"NAMED","INCHIKEY":"VSTZVCJQGSLNLL-UHFFFAOYSA-N","SMILES":"NC1=CC=CC=C1OS(O)(=O)=O","PLOT_NAME":"2-aminophenol sulfate","CAS":"NA","CHEMSPIDER":"158022","HMDB":"HMDB0061116","KEGG":"NA","PUBCHEM":"181670","PLATFORM":"Neg","metab.id":"M0100004322"},{"Metabolite":"1-stearoyl-GPS (18:0)*","CHEM_ID":"100004327","LIB_ID":"209","COMP_ID":"45966","CHRO_LIB_ENTRY_ID":"148646","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2720","TYPE":"NAMED","INCHIKEY":"ZPDQFUYPBVXUKS-KEKNWZKVSA-N","SMILES":"O=P(O)(OCC(O)COC(CCCCCCCCCCCCCCCCC)=O)OC[C@@H](C(O)=O)N","PLOT_NAME":"1-stearoyl-GPS (18:0)*","CAS":"NA","CHEMSPIDER":"7826051","HMDB":"HMDB0061698","KEGG":"NA","PUBCHEM":"74819135","PLATFORM":"Neg","metab.id":"M0100004327"},{"Metabolite":"4-hydroxyphenylacetylglycine","CHEM_ID":"100004418","LIB_ID":"209","COMP_ID":"43525","CHRO_LIB_ENTRY_ID":"150397","SUPER_PATHWAY":"Peptide","SUB_PATHWAY":"Acetylated Peptides","PATHWAY_SORTORDER":"1208","TYPE":"NAMED","INCHIKEY":"CPPDWYIPKSSNNM-UHFFFAOYSA-N","SMILES":"O=C(CC(C=C1)=CC=C1O)N([H])CC(O)=O","PLOT_NAME":"4-hydroxyphenylacetylglycine","CAS":"28116-23-6","CHEMSPIDER":"389604","HMDB":"HMDB0000735","KEGG":"C05596","PUBCHEM":"440732","PLATFORM":"Neg","metab.id":"M0100004418"},{"Metabolite":"1-arachidonoyl-GPA (20:4)","CHEM_ID":"100004442","LIB_ID":"209","COMP_ID":"46325","CHRO_LIB_ENTRY_ID":"145271","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2610","TYPE":"NAMED","INCHIKEY":"XBFQFMCUPHZKTI-DOFZRALJSA-N","SMILES":"CCCCC\\C=C/C/C=C\\C/C=C\\C/C=C\\CCCC(OCC(O)COP(O)(O)=O)=O","PLOT_NAME":"1-arachidonoyl-GPA (20:4)","CAS":"799268-65-8","CHEMSPIDER":"NA","HMDB":"HMDB0062312","KEGG":"NA","PUBCHEM":"42607498","PLATFORM":"Neg","metab.id":"M0100004442"},{"Metabolite":"6-oxopiperidine-2-carboxylate","CHEM_ID":"100004499","LIB_ID":"209","COMP_ID":"43231","CHRO_LIB_ENTRY_ID":"143979","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","PATHWAY_SORTORDER":"135","TYPE":"NAMED","INCHIKEY":"FZXCPFJMYOQZCA-UHFFFAOYSA-N","SMILES":"OC(C1CCCC(N1)=O)=O","PLOT_NAME":"6-oxopiperidine-2-carboxylate","CAS":"34622-39-4","CHEMSPIDER":"2282737","HMDB":"HMDB0061705","KEGG":"NA","PUBCHEM":"3014237","PLATFORM":"Neg","metab.id":"M0100004499"},{"Metabolite":"N-delta-acetylornithine","CHEM_ID":"100004523","LIB_ID":"209","COMP_ID":"43249","CHRO_LIB_ENTRY_ID":"124707","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Urea cycle; Arginine and Proline Metabolism","PATHWAY_SORTORDER":"515","TYPE":"NAMED","INCHIKEY":"SRXKAYJJGAAOBP-UHFFFAOYSA-N","SMILES":"CC(NCCCC(N)C(O)=O)=O","PLOT_NAME":"N-delta-acetylornithine","CAS":"NA","CHEMSPIDER":"8096135","HMDB":"HMDB0003357","KEGG":"C00437","PUBCHEM":"9920500","PLATFORM":"Neg","metab.id":"M0100004523"},{"Metabolite":"1-eicosapentaenoyl-GPE (20:5)*","CHEM_ID":"100004552","LIB_ID":"209","COMP_ID":"47888","CHRO_LIB_ENTRY_ID":"149863","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2706","TYPE":"NAMED","INCHIKEY":"KCWGBXXAJHVZNN-YAWQMZOFSA-N","SMILES":"O=C(CCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)OC[C@@](O)([H])COP(OCCN)(O)=O","PLOT_NAME":"1-eicosapentaenoyl-GPE (20:5)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0011489","KEGG":"NA","PUBCHEM":"53480938","PLATFORM":"Neg","metab.id":"M0100004552"},{"Metabolite":"S-(3-hydroxypropyl)mercapturic acid (HPMA)","CHEM_ID":"100004568","LIB_ID":"209","COMP_ID":"44552","CHRO_LIB_ENTRY_ID":"144009","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6169","TYPE":"NAMED","INCHIKEY":"FMWPQZPFBAHHMB-UHFFFAOYSA-N","SMILES":"OC(C(CSCCCO)NC(C)=O)=O","PLOT_NAME":"S-(3-hydroxypropyl)mercapturic acid (HPMA)","CAS":"23127-40-4","CHEMSPIDER":"2616726","HMDB":"NA","KEGG":"NA","PUBCHEM":"119083","PLATFORM":"Neg","metab.id":"M0100004568"},{"Metabolite":"N2,N5-diacetylornithine","CHEM_ID":"100004575","LIB_ID":"209","COMP_ID":"43591","CHRO_LIB_ENTRY_ID":"153118","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Urea cycle; Arginine and Proline Metabolism","PATHWAY_SORTORDER":"517","TYPE":"NAMED","INCHIKEY":"XUYANFPPYJSBPU-UHFFFAOYSA-N","SMILES":"OC(C(CCCNC(C)=O)N([H])C(C)=O)=O","PLOT_NAME":"N2,N5-diacetylornithine","CAS":"39825-23-5","CHEMSPIDER":"8573834","HMDB":"HMDB0240345","KEGG":"NA","PUBCHEM":"65977","PLATFORM":"Neg","metab.id":"M0100004575"},{"Metabolite":"1-linoleoyl-GPS (18:2)*","CHEM_ID":"100004606","LIB_ID":"209","COMP_ID":"43676","CHRO_LIB_ENTRY_ID":"149869","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2723","TYPE":"NAMED","INCHIKEY":"GPCWGPPYPPUKIJ-VNLYIJPESA-N","SMILES":"O=P(O)(OCC(O)COC(CCCCCCCCCC/C=C/C/C=C/CC)=O)OC[C@@H](C(O)=O)N","PLOT_NAME":"1-linoleoyl-GPS (18:2)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100004606"},{"Metabolite":"1-dihomo-linolenoyl-GPE (20:3n3 or 6)*","CHEM_ID":"100005371","LIB_ID":"209","COMP_ID":"44630","CHRO_LIB_ENTRY_ID":"142531","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2701","TYPE":"NAMED","INCHIKEY":"RNWSKZCVPICGIX-DQXFYRDTSA-N","SMILES":"O=C(CCCCCC/C=C\\C/C=C\\C/C=C\\CCCCC)OC[C@@](O)([H])COP(OCCN)(O)=O","PLOT_NAME":"1-dihomo-linolenoyl-GPE (20:3n3 or 6)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0011514,HMDB0011516","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100005371"},{"Metabolite":"1-(1-enyl-oleoyl)-GPE (P-18:1)*","CHEM_ID":"100005372","LIB_ID":"209","COMP_ID":"44621","CHRO_LIB_ENTRY_ID":"146825","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysoplasmalogen","PATHWAY_SORTORDER":"2855","TYPE":"NAMED","INCHIKEY":"URGVIWXYPWWBQO-ZCJATDNESA-N","SMILES":"O=P(OCC[NH3+])([O-])OC[C@H](O)CO/C=C/CCCCCC/C=C/CCCCCCCC","PLOT_NAME":"1-(1-enyl-oleoyl)-GPE (P-18:1)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100005372"},{"Metabolite":"O-sulfo-tyrosine","CHEM_ID":"100005384","LIB_ID":"209","COMP_ID":"45413","CHRO_LIB_ENTRY_ID":"143779","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6120","TYPE":"NAMED","INCHIKEY":"CIQHWLTYGMYQQR-QMMMGPOBSA-N","SMILES":"OS(OC1=CC=C(C[C@H](N)C(O)=O)C=C1)(=O)=O","PLOT_NAME":"O-sulfo-tyrosine","CAS":"NA","CHEMSPIDER":"448617","HMDB":"HMDB0155722","KEGG":"NA","PUBCHEM":"514186","PLATFORM":"Neg","metab.id":"M0100005384"},{"Metabolite":"ferulic acid 4-sulfate","CHEM_ID":"100005389","LIB_ID":"209","COMP_ID":"47114","CHRO_LIB_ENTRY_ID":"149387","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4923","TYPE":"NAMED","INCHIKEY":"PZPATWACAAOHTJ-HWKANZROSA-N","SMILES":"COC1=C(OS(O)(=O)=O)C=CC(/C=C/C(O)=O)=C1","PLOT_NAME":"ferulic acid 4-sulfate","CAS":"86321-29-1","CHEMSPIDER":"4878542","HMDB":"HMDB0029200","KEGG":"NA","PUBCHEM":"6305574","PLATFORM":"Neg","metab.id":"M0100005389"},{"Metabolite":"3-(3-hydroxyphenyl)propionate sulfate","CHEM_ID":"100005391","LIB_ID":"209","COMP_ID":"45415","CHRO_LIB_ENTRY_ID":"153117","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4590","TYPE":"NAMED","INCHIKEY":"IQWLPDPKVFZEOK-UHFFFAOYSA-N","SMILES":"OS(OC1=CC=CC(CCC(O)=O)=C1)(=O)=O","PLOT_NAME":"3-(3-hydroxyphenyl)propionate sulfate","CAS":"86321-32-6","CHEMSPIDER":"162993","HMDB":"HMDB0094710","KEGG":"NA","PUBCHEM":"187488","PLATFORM":"Neg","metab.id":"M0100005391"},{"Metabolite":"N-acetyltaurine","CHEM_ID":"100005466","LIB_ID":"209","COMP_ID":"48187","CHRO_LIB_ENTRY_ID":"153116","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"479","TYPE":"NAMED","INCHIKEY":"CXJAAWRLVGAKDV-UHFFFAOYSA-N","SMILES":"O=S(CCNC(C)=O)(O)=O","PLOT_NAME":"N-acetyltaurine","CAS":"NA","CHEMSPIDER":"140553","HMDB":"HMDB0240253","KEGG":"NA","PUBCHEM":"159864","PLATFORM":"Neg","metab.id":"M0100005466"},{"Metabolite":"1-oleoyl-GPG (18:1)*","CHEM_ID":"100005716","LIB_ID":"209","COMP_ID":"45968","CHRO_LIB_ENTRY_ID":"144192","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2731","TYPE":"NAMED","INCHIKEY":"FQQQKGAFQIIGLQ-VYFUBJQISA-N","SMILES":"O[C@H](COC(CCCCCCC/C=C\\CCCCCCCC)=O)COP(OCC(O)CO)(O)=O","PLOT_NAME":"1-oleoyl-GPG (18:1)*","CAS":"NA","CHEMSPIDER":"34999689","HMDB":"HMDB0240602","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100005716"},{"Metabolite":"1-palmitoyl-GPG (16:0)*","CHEM_ID":"100005717","LIB_ID":"209","COMP_ID":"45970","CHRO_LIB_ENTRY_ID":"144193","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2726","TYPE":"NAMED","INCHIKEY":"BVJSKAUUFXBDOB-UHFFFAOYSA-N","SMILES":"O=P(OCC(O)CO)(O)OCC(O)COC(CCCCCCCCCCCCCCC)=O","PLOT_NAME":"1-palmitoyl-GPG (16:0)*","CAS":"NA","CHEMSPIDER":"2548639","HMDB":"HMDB0240601","KEGG":"NA","PUBCHEM":"3300276","PLATFORM":"Neg","metab.id":"M0100005717"},{"Metabolite":"N-linoleoyltaurine*","CHEM_ID":"100005814","LIB_ID":"209","COMP_ID":"61826","CHRO_LIB_ENTRY_ID":"218246","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2195","TYPE":"NAMED","INCHIKEY":"YIWODQVLEDDQSF-HZJYTTRNSA-N","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(NCCS(=O)(O)=O)=O","PLOT_NAME":"N-linoleoyltaurine*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"52922081","PLATFORM":"Neg","metab.id":"M0100005814"},{"Metabolite":"methyl glucopyranoside (alpha + beta)","CHEM_ID":"100005864","LIB_ID":"209","COMP_ID":"46144","CHRO_LIB_ENTRY_ID":"144231","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5113","TYPE":"NAMED","INCHIKEY":"HOVAGTYPODGVJG-ZFYZTMLRSA-N","SMILES":"O[C@H]1[C@@H]([C@H]([C@H](O[C@@H]1CO)OC)O)O","PLOT_NAME":"methyl glucopyranoside (alpha + beta)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0029965","KEGG":"NA","PUBCHEM":"44,523,830,367,432,100","PLATFORM":"Neg","metab.id":"M0100005864"},{"Metabolite":"alpha-CEHC sulfate","CHEM_ID":"100005972","LIB_ID":"209","COMP_ID":"47666","CHRO_LIB_ENTRY_ID":"153114","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4392","TYPE":"NAMED","INCHIKEY":"ZQMMTPNJGWUHCB-UHFFFAOYSA-N","SMILES":"CC1=C(OS(O)(=O)=O)C(C)=C2C(OC(C)(CCC(O)=O)CC2)=C1C","PLOT_NAME":"alpha-CEHC sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100005972"},{"Metabolite":"3-hydroxycinnamate sulfate","CHEM_ID":"100006094","LIB_ID":"209","COMP_ID":"48409","CHRO_LIB_ENTRY_ID":"155065","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5153","TYPE":"NAMED","INCHIKEY":"YPXHXDXMTWPQTO-SNAWJCMRSA-N","SMILES":"O=C(/C=C/C1=CC=CC(OS(=O)(O)=O)=C1)O","PLOT_NAME":"3-hydroxycinnamate sulfate","CAS":"86321-30-4","CHEMSPIDER":"4947175","HMDB":"NA","KEGG":"NA","PUBCHEM":"6443141","PLATFORM":"Neg","metab.id":"M0100006094"},{"Metabolite":"4-hydroxycinnamate sulfate","CHEM_ID":"100006095","LIB_ID":"209","COMP_ID":"48410","CHRO_LIB_ENTRY_ID":"160464","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"235","TYPE":"NAMED","INCHIKEY":"OYDCCWNLILCHDJ-ZZXKWVIFSA-N","SMILES":"O=C(O[H])/C=C/C1=CC=C(OS(=O)(O)=O)C=C1","PLOT_NAME":"4-hydroxycinnamate sulfate","CAS":"308338-96-7","CHEMSPIDER":"4797737","HMDB":"NA","KEGG":"NA","PUBCHEM":"6070438","PLATFORM":"Neg","metab.id":"M0100006095"},{"Metabolite":"3-hydroxypyridine sulfate","CHEM_ID":"100006098","LIB_ID":"209","COMP_ID":"48448","CHRO_LIB_ENTRY_ID":"155087","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6252","TYPE":"NAMED","INCHIKEY":"BDERIBJTVYFANV-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=CN=C1)(O)=O","PLOT_NAME":"3-hydroxypyridine sulfate","CAS":"1955-23-3","CHEMSPIDER":"16232314","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100006098"},{"Metabolite":"3-hydroxyindolin-2-one sulfate","CHEM_ID":"100006103","LIB_ID":"209","COMP_ID":"48419","CHRO_LIB_ENTRY_ID":"155067","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4815","TYPE":"NAMED","INCHIKEY":"HLYCAHONCGGOOJ-UHFFFAOYSA-N","SMILES":"O=C(N1)C(OS(=O)(O)=O)C2=C1C=CC=C2","PLOT_NAME":"3-hydroxyindolin-2-one sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100006103"},{"Metabolite":"maltol sulfate","CHEM_ID":"100006106","LIB_ID":"209","COMP_ID":"48696","CHRO_LIB_ENTRY_ID":"222424","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4651","TYPE":"NAMED","INCHIKEY":"PVWYGTJERKKPRW-UHFFFAOYSA-N","SMILES":"O=C1C=COC(C)=C1OS(=O)(O)=O","PLOT_NAME":"maltol sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100006106"},{"Metabolite":"methyl-4-hydroxybenzoate sulfate","CHEM_ID":"100006116","LIB_ID":"209","COMP_ID":"48429","CHRO_LIB_ENTRY_ID":"155073","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4566","TYPE":"NAMED","INCHIKEY":"IBEAHXYYSZWGED-UHFFFAOYSA-N","SMILES":"O=C(OC)C1=CC=C(OS(=O)(O)=O)C=C1","PLOT_NAME":"methyl-4-hydroxybenzoate sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0041646","KEGG":"NA","PUBCHEM":"10657183","PLATFORM":"Neg","metab.id":"M0100006116"},{"Metabolite":"N-acetylpyrraline","CHEM_ID":"100006120","LIB_ID":"209","COMP_ID":"48438","CHRO_LIB_ENTRY_ID":"165701","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5150","TYPE":"NAMED","INCHIKEY":"KHSGXBFYCSMNPA-UHFFFAOYSA-N","SMILES":"O=C(O)C(NC(C)=O)CCCCN1C(C=O)=CC=C1CO","PLOT_NAME":"N-acetylpyrraline","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"C01227","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100006120"},{"Metabolite":"N-acetylhistamine","CHEM_ID":"100006123","LIB_ID":"209","COMP_ID":"48679","CHRO_LIB_ENTRY_ID":"160477","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Histidine Metabolism","PATHWAY_SORTORDER":"103","TYPE":"NAMED","INCHIKEY":"XJWPISBUKWZALE-UHFFFAOYSA-N","SMILES":"O=C(C)NCCC1=CNC=N1","PLOT_NAME":"N-acetylhistamine","CAS":"673-49-4","CHEMSPIDER":"62805","HMDB":"HMDB0013253","KEGG":"C05135","PUBCHEM":"69602","PLATFORM":"Neg","metab.id":"M0100006123"},{"Metabolite":"N2,N6-diacetyllysine","CHEM_ID":"100006124","LIB_ID":"209","COMP_ID":"48455","CHRO_LIB_ENTRY_ID":"155093","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","PATHWAY_SORTORDER":"113","TYPE":"NAMED","INCHIKEY":"ZHZUEHHBTYJTKY-UHFFFAOYSA-N","SMILES":"CC(NCCCCC(NC(C)=O)C(O)=O)=O","PLOT_NAME":"N2,N6-diacetyllysine","CAS":"499-86-5","CHEMSPIDER":"82921","HMDB":"NA","KEGG":"NA","PUBCHEM":"91827","PLATFORM":"Neg","metab.id":"M0100006124"},{"Metabolite":"vanillactate","CHEM_ID":"100006129","LIB_ID":"209","COMP_ID":"54910","CHRO_LIB_ENTRY_ID":"208290","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"206","TYPE":"NAMED","INCHIKEY":"SVYIZYRTOYHQRE-UHFFFAOYSA-N","SMILES":"OC1=C(OC)C=C(CC(C(O)=O)O)C=C1","PLOT_NAME":"vanillactate","CAS":"2475-56-1","CHEMSPIDER":"141152","HMDB":"HMDB0000913","KEGG":"NA","PUBCHEM":"160637","PLATFORM":"Neg","metab.id":"M0100006129"},{"Metabolite":"pregnanolone/allopregnanolone sulfate","CHEM_ID":"100006173","LIB_ID":"209","COMP_ID":"48394","CHRO_LIB_ENTRY_ID":"154288","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Progestin Steroids","PATHWAY_SORTORDER":"3308","TYPE":"NAMED","INCHIKEY":"MENQCIVHHONJLU-GQCBXAOTSA-N","SMILES":"C[C@]12C(C3CC[C@@]4(C[C@@H](CC[C@@]4(C3CC2)C)OS(=O)(O)=O)[H])CCC1C(C)=O","PLOT_NAME":"pregnanolone/allopregnanolone sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240591,HMDB0062782","KEGG":"C05480","PUBCHEM":"31,402,129,699,967","PLATFORM":"Neg","metab.id":"M0100006173"},{"Metabolite":"2-acetamidophenol sulfate","CHEM_ID":"100006190","LIB_ID":"209","COMP_ID":"48580","CHRO_LIB_ENTRY_ID":"155103","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5272","TYPE":"NAMED","INCHIKEY":"JCVGTUVGDOWZJE-UHFFFAOYSA-N","SMILES":"CC(NC(C=CC=C1)=C1OS(=O)(O)=O)=O","PLOT_NAME":"2-acetamidophenol sulfate","CAS":"40712-60-5","CHEMSPIDER":"158023","HMDB":"NA","KEGG":"NA","PUBCHEM":"181671","PLATFORM":"Neg","metab.id":"M0100006190"},{"Metabolite":"p-cresol glucuronide*","CHEM_ID":"100006191","LIB_ID":"209","COMP_ID":"48841","CHRO_LIB_ENTRY_ID":"155015","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"230","TYPE":"NAMED","INCHIKEY":"JPAUCQAJHLSMQW-XPORZQOISA-N","SMILES":"O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC2=CC=C(C)C=C2","PLOT_NAME":"p-cresol glucuronide*","CAS":"17680-99-8","CHEMSPIDER":"135751","HMDB":"HMDB0011686","KEGG":"NA","PUBCHEM":"154035","PLATFORM":"Neg","metab.id":"M0100006191"},{"Metabolite":"benzyl alcohol glucuronide","CHEM_ID":"100006253","LIB_ID":"209","COMP_ID":"48781","CHRO_LIB_ENTRY_ID":"155137","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5149","TYPE":"NAMED","INCHIKEY":"UDTQUOJQGJBORK-XPORZQOISA-N","SMILES":"O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OCC2=CC=CC=C2","PLOT_NAME":"benzyl alcohol glucuronide","CAS":"2/9/85","CHEMSPIDER":"7971563","HMDB":"NA","KEGG":"NA","PUBCHEM":"9795797","PLATFORM":"Neg","metab.id":"M0100006253"},{"Metabolite":"6-hydroxyindole sulfate","CHEM_ID":"100006260","LIB_ID":"209","COMP_ID":"48698","CHRO_LIB_ENTRY_ID":"166006","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6266","TYPE":"NAMED","INCHIKEY":"QRHHXPIYYXPEMG-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=C2C=CNC2=C1)(O)=O","PLOT_NAME":"6-hydroxyindole sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000682","KEGG":"NA","PUBCHEM":"122198196","PLATFORM":"Neg","metab.id":"M0100006260"},{"Metabolite":"daidzein sulfate (1)","CHEM_ID":"100006362","LIB_ID":"209","COMP_ID":"48727","CHRO_LIB_ENTRY_ID":"155109","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5151","TYPE":"NAMED","INCHIKEY":"CQRHJEVIKOKQMO-UHFFFAOYSA-N","SMILES":"OC1=CC2=C(C=C1)C(C(C3=CC=C(C=C3)OS(=O)(O)=O)=CO2)=O","PLOT_NAME":"daidzein sulfate (1)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"12114465","PLATFORM":"Neg","metab.id":"M0100006362"},{"Metabolite":"daidzein sulfate (2)","CHEM_ID":"100006363","LIB_ID":"209","COMP_ID":"48728","CHRO_LIB_ENTRY_ID":"155111","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5143","TYPE":"NAMED","INCHIKEY":"CQRHJEVIKOKQMO-UHFFFAOYSA-N","SMILES":"OC1=CC2=C(C(C(C3=CC=C(OS(=O)(O)=O)C=C3)=CO2)=O)C=C1","PLOT_NAME":"daidzein sulfate (2)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"12114465","PLATFORM":"Neg","metab.id":"M0100006363"},{"Metabolite":"3-hydroxyhexanoate","CHEM_ID":"100006367","LIB_ID":"209","COMP_ID":"53230","CHRO_LIB_ENTRY_ID":"179135","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1997","TYPE":"NAMED","INCHIKEY":"HPMGFDVTYHWBAG-UHFFFAOYSA-N","SMILES":"CCCC(O)CC(O)=O","PLOT_NAME":"3-hydroxyhexanoate","CAS":"10191-24-9","CHEMSPIDER":"133518","HMDB":"HMDB0061652,HMDB0010718","KEGG":"NA","PUBCHEM":"151492","PLATFORM":"Neg","metab.id":"M0100006367"},{"Metabolite":"3beta-hydroxy-5-cholestenoate","CHEM_ID":"100006370","LIB_ID":"209","COMP_ID":"54805","CHRO_LIB_ENTRY_ID":"207701","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Sterol","PATHWAY_SORTORDER":"3229","TYPE":"NAMED","INCHIKEY":"WVXOMPRLWLXFAP-AMQKJUDNSA-N","SMILES":"C[C@@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]3[C@H]2CC=C4[C@]3(C)CC[C@H](O)C4)CCCC(C(O)=O)C","PLOT_NAME":"3beta-hydroxy-5-cholestenoate","CAS":"6561-58-6","CHEMSPIDER":"NA","HMDB":"HMDB0012453","KEGG":"C17333","PUBCHEM":"165511","PLATFORM":"Neg","metab.id":"M0100006370"},{"Metabolite":"1,2,3-benzenetriol sulfate (2)","CHEM_ID":"100006374","LIB_ID":"209","COMP_ID":"48762","CHRO_LIB_ENTRY_ID":"155125","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6249","TYPE":"NAMED","INCHIKEY":"NGVLEQPKHLWZLN-UHFFFAOYSA-N","SMILES":"OC1=C(O)C(OS(=O)(O)=O)=CC=C1","PLOT_NAME":"1,2,3-benzenetriol sulfate (2)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0060018,HMDB0060016","KEGG":"NA","PUBCHEM":"9,201,366,254,110,620","PLATFORM":"Neg","metab.id":"M0100006374"},{"Metabolite":"3-methoxycatechol sulfate (2)","CHEM_ID":"100006376","LIB_ID":"209","COMP_ID":"48752","CHRO_LIB_ENTRY_ID":"155119","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4564","TYPE":"NAMED","INCHIKEY":"NTXOJWKIHIOUQN-UHFFFAOYSA-N","SMILES":"OC1=C(OC)C=CC=C1OS(=O)(O)=O","PLOT_NAME":"3-methoxycatechol sulfate (2)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100006376"},{"Metabolite":"N-acetylkynurenine (2)","CHEM_ID":"100006378","LIB_ID":"209","COMP_ID":"48757","CHRO_LIB_ENTRY_ID":"155121","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"275","TYPE":"NAMED","INCHIKEY":"PPIMFXHQDQRWGJ-JTQLQIEISA-N","SMILES":"OC([C@@H](NC(C)=O)CC(C1=CC=CC=C1N)=O)=O","PLOT_NAME":"N-acetylkynurenine (2)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240342","KEGG":"NA","PUBCHEM":"73817779","PLATFORM":"Neg","metab.id":"M0100006378"},{"Metabolite":"C-glycosyltryptophan","CHEM_ID":"100006379","LIB_ID":"209","COMP_ID":"48782","CHRO_LIB_ENTRY_ID":"155139","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"266","TYPE":"NAMED","INCHIKEY":"CPXSBHKDEPPWIX-RAYCSJGISA-N","SMILES":"N[C@H](C(O)=O)CC1=C([C@H]([C@H]([C@@H](O)[C@@H]2O)O)O[C@@H]2CO)NC3=CC=CC=C13","PLOT_NAME":"C-glycosyltryptophan","CAS":"180509-18-6","CHEMSPIDER":"9157171","HMDB":"HMDB0240296","KEGG":"NA","PUBCHEM":"10981970","PLATFORM":"Neg","metab.id":"M0100006379"},{"Metabolite":"taurodeoxycholic acid 3-sulfate","CHEM_ID":"100006644","LIB_ID":"209","COMP_ID":"62889","CHRO_LIB_ENTRY_ID":"220740","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3510","TYPE":"NAMED","INCHIKEY":"UCVGCHGIKFWAGH-WQVRBXQRSA-N","SMILES":"C[C@@]12[C@@](CCC3C2C[C@H](O)[C@@]4(C)C3CC[C@@H]4[C@@H](CCC(NCCS(O)(=O)=O)=O)C)([H])C[C@H](OS(O)(=O)=O)CC1","PLOT_NAME":"taurodeoxycholic acid 3-sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100006644"},{"Metabolite":"phenol glucuronide","CHEM_ID":"100006679","LIB_ID":"209","COMP_ID":"52747","CHRO_LIB_ENTRY_ID":"166417","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"196","TYPE":"NAMED","INCHIKEY":"WVHAUDNUGBNUDZ-GOVZDWNOSA-N","SMILES":"O[C@H]1[C@H](OC2=CC=CC=C2)O[C@H](C(O)=O)[C@@H](O)[C@@H]1O","PLOT_NAME":"phenol glucuronide","CAS":"17685-05-1","CHEMSPIDER":"78692","HMDB":"HMDB0060014","KEGG":"NA","PUBCHEM":"87235","PLATFORM":"Neg","metab.id":"M0100006679"},{"Metabolite":"linoleoyl ethanolamide","CHEM_ID":"100006726","LIB_ID":"209","COMP_ID":"52608","CHRO_LIB_ENTRY_ID":"166573","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2200","TYPE":"NAMED","INCHIKEY":"KQXDGUVSAAQARU-HZJYTTRNSA-N","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCCCC(NCCO)=O","PLOT_NAME":"linoleoyl ethanolamide","CAS":"68171-52-8","CHEMSPIDER":"4446566","HMDB":"HMDB0012252","KEGG":"NA","PUBCHEM":"5283446","PLATFORM":"Neg","metab.id":"M0100006726"},{"Metabolite":"indoleacetylglycine","CHEM_ID":"100006730","LIB_ID":"209","COMP_ID":"54730","CHRO_LIB_ENTRY_ID":"207583","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"323","TYPE":"NAMED","INCHIKEY":"YDXXLJMIHMIOIF-UHFFFAOYSA-N","SMILES":"O=C(NCC(O)=O)CC1=CNC2=CC=CC=C21","PLOT_NAME":"indoleacetylglycine","CAS":"13113-08-1","CHEMSPIDER":"393944","HMDB":"NA","KEGG":"NA","PUBCHEM":"446640","PLATFORM":"Neg","metab.id":"M0100006730"},{"Metabolite":"2-methylcitrate/homocitrate","CHEM_ID":"100008929","LIB_ID":"209","COMP_ID":"52282","CHRO_LIB_ENTRY_ID":"164310","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1478","TYPE":"NAMED","INCHIKEY":"YNOXCRMFGMSKIJ-UHFFFAOYSA-N","SMILES":"CC(C(O)=O)C(C(O)=O)(O)CC(O)=O","PLOT_NAME":"2-methylcitrate/homocitrate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0003518,HMDB0000379","KEGG":"C01251","PUBCHEM":"439,459,515","PLATFORM":"Neg","metab.id":"M0100008929"},{"Metabolite":"oleate/vaccenate (18:1)","CHEM_ID":"100008930","LIB_ID":"209","COMP_ID":"52285","CHRO_LIB_ENTRY_ID":"164313","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Monounsaturated Fatty Acid","PATHWAY_SORTORDER":"1551","TYPE":"NAMED","INCHIKEY":"ZQPPMHVWECSIRJ-KTKRTIGZSA-N","SMILES":"OC(CCCCCCC/C=C\\CCCCCCCC)=O","PLOT_NAME":"oleate/vaccenate (18:1)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0003231,HMDB0000573,HMDB0240219,HMDB0000207","KEGG":"C21944,C08367,C01712,C00712","PUBCHEM":"52,827,616,375,175,200,000,000,000","PLATFORM":"Neg","metab.id":"M0100008930"},{"Metabolite":"indoxyl glucuronide","CHEM_ID":"100008931","LIB_ID":"209","COMP_ID":"52749","CHRO_LIB_ENTRY_ID":"166419","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"328","TYPE":"NAMED","INCHIKEY":"KUYNOZVWCFXSNE-BYNIDDHOSA-N","SMILES":"O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC2=CNC3=C2C=CC=C3","PLOT_NAME":"indoxyl glucuronide","CAS":"35804-66-1","CHEMSPIDER":"2015556","HMDB":"HMDB0010319","KEGG":"NA","PUBCHEM":"2733785","PLATFORM":"Neg","metab.id":"M0100008931"},{"Metabolite":"3-hydroxystearate","CHEM_ID":"100008933","LIB_ID":"209","COMP_ID":"52938","CHRO_LIB_ENTRY_ID":"166054","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2007","TYPE":"NAMED","INCHIKEY":"POMQYTSPMKEQNB-UHFFFAOYSA-N","SMILES":"OC(CC(O)CCCCCCCCCCCCCCC)=O","PLOT_NAME":"3-hydroxystearate","CAS":"45261-96-9","CHEMSPIDER":"4446034","HMDB":"HMDB10737","KEGG":"NA","PUBCHEM":"5282907","PLATFORM":"Neg","metab.id":"M0100008933"},{"Metabolite":"1-palmitoleoylglycerol (16:1)*","CHEM_ID":"100008952","LIB_ID":"209","COMP_ID":"52431","CHRO_LIB_ENTRY_ID":"164555","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Monoacylglycerol","PATHWAY_SORTORDER":"2871","TYPE":"NAMED","INCHIKEY":"KVYUBFKSKZWZSV-BQYQJAHWSA-N","SMILES":"CCCCCC/C=C/CCCCCCCC(OCC(O)CO)=O","PLOT_NAME":"1-palmitoleoylglycerol (16:1)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0011565","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100008952"},{"Metabolite":"7-hydroxyindole sulfate","CHEM_ID":"100009043","LIB_ID":"209","COMP_ID":"52915","CHRO_LIB_ENTRY_ID":"166014","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"326","TYPE":"NAMED","INCHIKEY":"YBMPUGDWCSVZRS-UHFFFAOYSA-N","SMILES":"O=S(OC1=C2C(C=CN2)=CC=C1)(O)=O","PLOT_NAME":"7-hydroxyindole sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100009043"},{"Metabolite":"4-ethylphenol glucuronide","CHEM_ID":"100009049","LIB_ID":"209","COMP_ID":"52937","CHRO_LIB_ENTRY_ID":"166052","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4546","TYPE":"NAMED","INCHIKEY":"VCVXAAYLLIDUGA-UHFFFAOYSA-N","SMILES":"OC1C(O)C(O)C(OC2=CC=C(CC)C=C2)OC1C(O)=O","PLOT_NAME":"4-ethylphenol glucuronide","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100009049"},{"Metabolite":"1-linoleoyl-GPA (18:2)*","CHEM_ID":"100009082","LIB_ID":"209","COMP_ID":"52690","CHRO_LIB_ENTRY_ID":"165460","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2605","TYPE":"NAMED","INCHIKEY":"ZQTAMPRZFOOEEP-KKFOGOCZSA-N","SMILES":"O=C(CCCCCCC/C=C\\C/C=C\\CCCCC)OC[C@]([H])(COP(O)(O)=O)O","PLOT_NAME":"1-linoleoyl-GPA (18:2)*","CAS":"NA","CHEMSPIDER":"24766514","HMDB":"HMDB0007856","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100009082"},{"Metabolite":"1-linoleoyl-GPG (18:2)*","CHEM_ID":"100009227","LIB_ID":"209","COMP_ID":"54885","CHRO_LIB_ENTRY_ID":"207774","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysophospholipid","PATHWAY_SORTORDER":"2733","TYPE":"NAMED","INCHIKEY":"VEEHTGYBVMTAAF-RFFZIGDUSA-N","SMILES":"[H][C@@](CO)(O)COP(OC[C@]([H])(O)COC(CCCCCCC/C=C\\C/C=C\\CCCCC)=O)(O)=O","PLOT_NAME":"1-linoleoyl-GPG (18:2)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240600","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100009227"},{"Metabolite":"14-HDoHE/17-HDoHE","CHEM_ID":"100009278","LIB_ID":"209","COMP_ID":"53034","CHRO_LIB_ENTRY_ID":"166162","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Docosanoid","PATHWAY_SORTORDER":"2084","TYPE":"NAMED","INCHIKEY":"ZNEBXONKCYFJAF-BGKMTWLOSA-N","SMILES":"OC(CC/C=C\\C/C=C\\C/C=C\\C=C\\C(C/C=C\\C/C=C\\CC)O)=O","PLOT_NAME":"14-HDoHE/17-HDoHE","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0060044,HMDB0010213","KEGG":"NA","PUBCHEM":"643,917,911,566,378","PLATFORM":"Neg","metab.id":"M0100009278"},{"Metabolite":"catechol glucuronide","CHEM_ID":"100009326","LIB_ID":"209","COMP_ID":"53243","CHRO_LIB_ENTRY_ID":"179153","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"242","TYPE":"NAMED","INCHIKEY":"ICPYZFZFSLTYID-GOVZDWNOSA-N","SMILES":"O[C@H]([C@@H](O)[C@@H]1O)[C@@H](O[C@@H]1C(O)=O)OC(C=CC=C2)=C2O","PLOT_NAME":"catechol glucuronide","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240490","KEGG":"NA","PUBCHEM":"75124209","PLATFORM":"Neg","metab.id":"M0100009326"},{"Metabolite":"hexadecatrienoate (16:3n3)","CHEM_ID":"100009393","LIB_ID":"209","COMP_ID":"57651","CHRO_LIB_ENTRY_ID":"212701","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1569","TYPE":"NAMED","INCHIKEY":"KBGYPXOSNDMZRV-PDBXOOCHSA-N","SMILES":"CC/C=C\\C/C=C\\C/C=C\\CCCCCC(O)=O","PLOT_NAME":"hexadecatrienoate (16:3n3)","CAS":"7561-64-0","CHEMSPIDER":"4471853","HMDB":"NA","KEGG":"NA","PUBCHEM":"91820460","PLATFORM":"Neg","metab.id":"M0100009393"},{"Metabolite":"hexadecadienoate (16:2n6)","CHEM_ID":"100009394","LIB_ID":"209","COMP_ID":"57652","CHRO_LIB_ENTRY_ID":"212703","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1584","TYPE":"NAMED","INCHIKEY":"WPJGPAAPSBVXNU-HZJYTTRNSA-N","SMILES":"CCCCC/C=C\\C/C=C\\CCCCCC(O)=O","PLOT_NAME":"hexadecadienoate (16:2n6)","CAS":"28290-73-5","CHEMSPIDER":"13628094","HMDB":"HMDB0000477","KEGG":"NA","PUBCHEM":"13932172","PLATFORM":"Neg","metab.id":"M0100009394"},{"Metabolite":"4-acetamidobenzoate","CHEM_ID":"100009413","LIB_ID":"209","COMP_ID":"57585","CHRO_LIB_ENTRY_ID":"212142","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6269","TYPE":"NAMED","INCHIKEY":"QCXJEYYXVJIFCE-UHFFFAOYSA-N","SMILES":"CC(NC1=CC=C(C(O)=O)C=C1)=O","PLOT_NAME":"4-acetamidobenzoate","CAS":"556-08-1","CHEMSPIDER":"18177","HMDB":"NA","KEGG":"D03836","PUBCHEM":"6918889","PLATFORM":"Neg","metab.id":"M0100009413"},{"Metabolite":"trans-3,4-methyleneheptanoylglycine","CHEM_ID":"100010861","LIB_ID":"209","COMP_ID":"55012","CHRO_LIB_ENTRY_ID":"208344","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (Acyl Glycine)","PATHWAY_SORTORDER":"1833","TYPE":"NAMED","INCHIKEY":"FFFQOVJTIDIKQJ-UHFFFAOYSA-N","SMILES":"O=C(NCC(O)=O)CC1C(CCC)C1","PLOT_NAME":"trans-3,4-methyleneheptanoylglycine","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"129822188","PLATFORM":"Neg","metab.id":"M0100010861"},{"Metabolite":"2,3-dihydroxy-2-methylbutyrate","CHEM_ID":"100010869","LIB_ID":"209","COMP_ID":"57547","CHRO_LIB_ENTRY_ID":"212076","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"434","TYPE":"NAMED","INCHIKEY":"AOWPAWLEXIYETE-UHFFFAOYSA-N","SMILES":"OC(C)(C(O)=O)C(C)O","PLOT_NAME":"2,3-dihydroxy-2-methylbutyrate","CAS":"14868-24-7","CHEMSPIDER":"266858","HMDB":"HMDB0029576","KEGG":"NA","PUBCHEM":"301941","PLATFORM":"Neg","metab.id":"M0100010869"},{"Metabolite":"2''-O-methylcytidine","CHEM_ID":"100010895","LIB_ID":"209","COMP_ID":"57554","CHRO_LIB_ENTRY_ID":"212088","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Cytidine containing","PATHWAY_SORTORDER":"4284","TYPE":"NAMED","INCHIKEY":"RFCQJGFZUQFYRF-ZOQUXTDFSA-N","SMILES":"O=C1N(C=CC(N)=N1)[C@@H]([C@H](OC)[C@@H]2O)O[C@@H]2CO","PLOT_NAME":"2''-O-methylcytidine","CAS":"2140-72-9","CHEMSPIDER":"133067","HMDB":"NA","KEGG":"NA","PUBCHEM":"150971","PLATFORM":"Neg","metab.id":"M0100010895"},{"Metabolite":"2''-O-methyluridine","CHEM_ID":"100010896","LIB_ID":"209","COMP_ID":"57655","CHRO_LIB_ENTRY_ID":"212709","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4243","TYPE":"NAMED","INCHIKEY":"SXUXMRMBWZCMEN-ZOQUXTDFSA-N","SMILES":"CO[C@@H]1[C@@H]([C@H](O[C@H]1N2C=CC(NC2=O)=O)CO)O","PLOT_NAME":"2''-O-methyluridine","CAS":"2140-76-3","CHEMSPIDER":"92343","HMDB":"HMDB0240328","KEGG":"NA","PUBCHEM":"102212","PLATFORM":"Neg","metab.id":"M0100010896"},{"Metabolite":"naringenin 7-glucuronide","CHEM_ID":"100010898","LIB_ID":"209","COMP_ID":"54924","CHRO_LIB_ENTRY_ID":"208318","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4995","TYPE":"NAMED","INCHIKEY":"BDCRTIDKZGEVEN-UHFFFAOYSA-N","SMILES":"O=C1C2=C(O)C=C(OC3C(O)C(O)C(O)C(C(O)=O)O3)C=C2OC(C4=CC=C(O)C=C4)C1","PLOT_NAME":"naringenin 7-glucuronide","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100010898"},{"Metabolite":"1-palmityl-GPE (O-16:0)*","CHEM_ID":"100010962","LIB_ID":"209","COMP_ID":"55007","CHRO_LIB_ENTRY_ID":"208109","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Lysoplasmalogen","PATHWAY_SORTORDER":"2848","TYPE":"NAMED","INCHIKEY":"OKXWJISJKQKUTN-OAQYLSRUSA-N","SMILES":"[H][C@](O)(COP(OCCN)(O)=O)COCCCCCCCCCCCCCCCC","PLOT_NAME":"1-palmityl-GPE (O-16:0)*","CAS":"NA","CHEMSPIDER":"24823080","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100010962"},{"Metabolite":"2-hydroxybehenate","CHEM_ID":"100015637","LIB_ID":"209","COMP_ID":"57663","CHRO_LIB_ENTRY_ID":"212725","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1992","TYPE":"NAMED","INCHIKEY":"RPGJJWLCCOPDAZ-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCCCCC(O)C(O)=O","PLOT_NAME":"2-hydroxybehenate","CAS":"NA","CHEMSPIDER":"167899","HMDB":"HMDB0061660","KEGG":"NA","PUBCHEM":"193484","PLATFORM":"Neg","metab.id":"M0100015637"},{"Metabolite":"docosatrienoate (22:3n6)*","CHEM_ID":"100015762","LIB_ID":"209","COMP_ID":"57467","CHRO_LIB_ENTRY_ID":"211123","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1592","TYPE":"NAMED","INCHIKEY":"RILVNGKQIULBOQ-YHTMAJSVSA-N","SMILES":"CCCCC/C=C/C/C=C/C/C=C/CCCCCCCCC(O)=O","PLOT_NAME":"docosatrienoate (22:3n6)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"75955220","PLATFORM":"Neg","metab.id":"M0100015762"},{"Metabolite":"nisinate (24:6n3)","CHEM_ID":"100015785","LIB_ID":"209","COMP_ID":"57810","CHRO_LIB_ENTRY_ID":"213739","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1583","TYPE":"NAMED","INCHIKEY":"YHGJECVSSKXFCJ-KUBAVDMBSA-N","SMILES":"OC(CCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)=O","PLOT_NAME":"nisinate (24:6n3)","CAS":"68378-49-4","CHEMSPIDER":"9967286","HMDB":"HMDB0013025","KEGG":"NA","PUBCHEM":"11792612","PLATFORM":"Neg","metab.id":"M0100015785"},{"Metabolite":"heneicosapentaenoate (21:5n3)","CHEM_ID":"100015797","LIB_ID":"209","COMP_ID":"57658","CHRO_LIB_ENTRY_ID":"212715","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1579","TYPE":"NAMED","INCHIKEY":"OQOCQFSPEWCSDO-JLNKQSITSA-N","SMILES":"OC(CCCC/C=C\\C/C=C\\C/C=C\\C/C=C\\C/C=C\\CC)=O","PLOT_NAME":"heneicosapentaenoate (21:5n3)","CAS":"24257-10-1","CHEMSPIDER":"10171040","HMDB":"NA","KEGG":"NA","PUBCHEM":"11998573","PLATFORM":"Neg","metab.id":"M0100015797"},{"Metabolite":"ethyl alpha-glucopyranoside","CHEM_ID":"100015965","LIB_ID":"209","COMP_ID":"63152","CHRO_LIB_ENTRY_ID":"221887","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5112","TYPE":"NAMED","INCHIKEY":"WYUFTYLVLQZQNH-UHFFFAOYSA-N","SMILES":"CCOC1C(O)C(O)C(O)C(CO)O1","PLOT_NAME":"ethyl alpha-glucopyranoside","CAS":"34625-23-5","CHEMSPIDER":"378664","HMDB":"HMDB0029968","KEGG":"NA","PUBCHEM":"11127487","PLATFORM":"Neg","metab.id":"M0100015965"},{"Metabolite":"isohyodeoxycholate","CHEM_ID":"100015988","LIB_ID":"209","COMP_ID":"57774","CHRO_LIB_ENTRY_ID":"213677","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3567","TYPE":"NAMED","INCHIKEY":"DGABKXLVXPYZII-MMTMODRTSA-N","SMILES":"O[C@@H]1[C@@](C2)([H])[C@@](CC[C@@H]2O)(C)[C@]3([H])[C@](C1)([H])[C@@]4([H])[C@@](CC3)(C)[C@]([C@H](C)CCC(O)=O)([H])CC4","PLOT_NAME":"isohyodeoxycholate","CAS":"570-84-3","CHEMSPIDER":"4446910","HMDB":"HMDB0000664","KEGG":"NA","PUBCHEM":"5283822","PLATFORM":"Neg","metab.id":"M0100015988"},{"Metabolite":"2-butenoylglycine","CHEM_ID":"100016110","LIB_ID":"209","COMP_ID":"61785","CHRO_LIB_ENTRY_ID":"218163","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (Acyl Glycine)","PATHWAY_SORTORDER":"1846","TYPE":"NAMED","INCHIKEY":"WWJXRJJBIVSSNF-NSCUHMNNSA-N","SMILES":"OC(CN([H])C(/C=C/C)=O)=O","PLOT_NAME":"2-butenoylglycine","CAS":"71428-89-2","CHEMSPIDER":"4877902","HMDB":"NA","KEGG":"NA","PUBCHEM":"6303498","PLATFORM":"Neg","metab.id":"M0100016110"},{"Metabolite":"2-hydroxyarachidate*","CHEM_ID":"100019892","LIB_ID":"209","COMP_ID":"61700","CHRO_LIB_ENTRY_ID":"218003","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"1991","TYPE":"NAMED","INCHIKEY":"CPLYLXYEVLGWFJ-UHFFFAOYSA-N","SMILES":"CCCCCCCCCCCCCCCCCCC(O)C(O)=O","PLOT_NAME":"2-hydroxyarachidate*","CAS":"NA","CHEMSPIDER":"4395406","HMDB":"NA","KEGG":"NA","PUBCHEM":"5225199","PLATFORM":"Neg","metab.id":"M0100019892"},{"Metabolite":"18-methylnonadecanoate (i20:0)","CHEM_ID":"100019953","LIB_ID":"209","COMP_ID":"62781","CHRO_LIB_ENTRY_ID":"220394","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Branched","PATHWAY_SORTORDER":"1671","TYPE":"NAMED","INCHIKEY":"UCDAVJCKGYOYNI-UHFFFAOYSA-N","SMILES":"OC(CCCCCCCCCCCCCCCCC(C)C)=O","PLOT_NAME":"18-methylnonadecanoate (i20:0)","CAS":"NA","CHEMSPIDER":"3584985","HMDB":"NA","KEGG":"NA","PUBCHEM":"4383090","PLATFORM":"Neg","metab.id":"M0100019953"},{"Metabolite":"3-hydroxyoleate*","CHEM_ID":"100019966","LIB_ID":"209","COMP_ID":"61843","CHRO_LIB_ENTRY_ID":"218451","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Monohydroxy","PATHWAY_SORTORDER":"2008","TYPE":"NAMED","INCHIKEY":"MFBDGGFIQVOLTJ-MDZDMXLPSA-N","SMILES":"CCCCCCCC/C=C/CCCCCC(O)CC(O)=O","PLOT_NAME":"3-hydroxyoleate*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100019966"},{"Metabolite":"nonadecanedioate (C19-DC)","CHEM_ID":"100019970","LIB_ID":"209","COMP_ID":"62867","CHRO_LIB_ENTRY_ID":"220657","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1719","TYPE":"NAMED","INCHIKEY":"IFAWYXIHOVRGHQ-UHFFFAOYSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCCCCCC(O)=O","PLOT_NAME":"nonadecanedioate (C19-DC)","CAS":"6250-70-0","CHEMSPIDER":"11395055","HMDB":"NA","KEGG":"NA","PUBCHEM":"12572015","PLATFORM":"Neg","metab.id":"M0100019970"},{"Metabolite":"dodecenedioate (C12:1-DC)*","CHEM_ID":"100019972","LIB_ID":"209","COMP_ID":"61864","CHRO_LIB_ENTRY_ID":"218581","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1706","TYPE":"NAMED","INCHIKEY":"OHCMUMNQAHNIEP-HNQUOIGGSA-N","SMILES":"OC(CCC/C=C/CCCCCC(O)=O)=O","PLOT_NAME":"dodecenedioate (C12:1-DC)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000933","KEGG":"NA","PUBCHEM":"5283028","PLATFORM":"Neg","metab.id":"M0100019972"},{"Metabolite":"hexadecenedioate (C16:1-DC)*","CHEM_ID":"100019975","LIB_ID":"209","COMP_ID":"61862","CHRO_LIB_ENTRY_ID":"218579","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1714","TYPE":"NAMED","INCHIKEY":"IWTMSCUHCJHPPR-ACCUITESSA-N","SMILES":"O=C(O)CCCCCCCCCCCC/C=C/C(O)=O","PLOT_NAME":"hexadecenedioate (C16:1-DC)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100019975"},{"Metabolite":"octadecenedioate (C18:1-DC)","CHEM_ID":"100019978","LIB_ID":"209","COMP_ID":"61861","CHRO_LIB_ENTRY_ID":"218578","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1717","TYPE":"NAMED","INCHIKEY":"YDPSQMGOAILWPE-FYWRMAATSA-N","SMILES":"O=C(O)CCCCCCCCCCCCCC/C=C/C(O)=O","PLOT_NAME":"octadecenedioate (C18:1-DC)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"9543674","PLATFORM":"Neg","metab.id":"M0100019978"},{"Metabolite":"octadecadienedioate (C18:2-DC)*","CHEM_ID":"100019982","LIB_ID":"209","COMP_ID":"61860","CHRO_LIB_ENTRY_ID":"218580","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1718","TYPE":"NAMED","INCHIKEY":"ZKQNWTGXRAIVGG-PXELCPQFSA-N","SMILES":"O=C(O)CCCCCCCCCCCC/C=C/C=C/C(O)=O","PLOT_NAME":"octadecadienedioate (C18:2-DC)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100019982"},{"Metabolite":"3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**","CHEM_ID":"100020004","LIB_ID":"209","COMP_ID":"61871","CHRO_LIB_ENTRY_ID":"218621","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1725","TYPE":"NAMED","INCHIKEY":"RIJDKRLRDVBUHJ-UHFFFAOYSA-N","SMILES":"OC(C1=C(CCC(O)=O)OC(CCCCC)=C1C)=O","PLOT_NAME":"3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP)**","CAS":"NA","CHEMSPIDER":"168762","HMDB":"HMDB0061643","KEGG":"NA","PUBCHEM":"194501","PLATFORM":"Neg","metab.id":"M0100020004"},{"Metabolite":"N-acetyl-2-aminooctanoate*","CHEM_ID":"100020204","LIB_ID":"209","COMP_ID":"62059","CHRO_LIB_ENTRY_ID":"218862","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Amino","PATHWAY_SORTORDER":"1774","TYPE":"NAMED","INCHIKEY":"JJGNMSOJTSABGA-UHFFFAOYSA-N","SMILES":"OC(C(CCCCCC)N([H])C(C)=O)=O","PLOT_NAME":"N-acetyl-2-aminooctanoate*","CAS":"NA","CHEMSPIDER":"86248","HMDB":"HMDB0059745","KEGG":"NA","PUBCHEM":"95555","PLATFORM":"Neg","metab.id":"M0100020204"},{"Metabolite":"daidzein 7-O-glucuronide","CHEM_ID":"100020206","LIB_ID":"209","COMP_ID":"62070","CHRO_LIB_ENTRY_ID":"218879","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4894","TYPE":"NAMED","INCHIKEY":"MMIBOZXVZLENRZ-ZFORQUDYSA-N","SMILES":"O=C1c2c(OC=C1c3ccc(O)cc3)cc(O[C@@H]4O[C@@H]([C@H]([C@@H]([C@H]4O)O)O)C(O)=O)cc2","PLOT_NAME":"daidzein 7-O-glucuronide","CAS":"NA","CHEMSPIDER":"9491321","HMDB":"HMDB41718","KEGG":"NA","PUBCHEM":"11316354","PLATFORM":"Neg","metab.id":"M0100020206"},{"Metabolite":"genistein sulfate*","CHEM_ID":"100020207","LIB_ID":"209","COMP_ID":"62061","CHRO_LIB_ENTRY_ID":"218865","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4896","TYPE":"NAMED","INCHIKEY":"DKEIWIJUHWVGRC-UHFFFAOYSA-N","SMILES":"O=C1C(C(O)=C2)=C(C=C2OS(=O)(O)=O)OC=C1C(C=C3)=CC=C3O","PLOT_NAME":"genistein sulfate*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020207"},{"Metabolite":"glyco-alpha-muricholate**","CHEM_ID":"100020213","LIB_ID":"209","COMP_ID":"62065","CHRO_LIB_ENTRY_ID":"218871","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3488","TYPE":"NAMED","INCHIKEY":"ZQYUKJFJPJDMMR-MBYLDLNWSA-N","SMILES":"CC(CCC(NCC(O)=O)=O)C1CCC2C3[C@H](O)[C@@H](O)[C@]4([H])C[C@H](O)CC[C@]4(C)C3CC[C@@]21C","PLOT_NAME":"glyco-alpha-muricholate**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020213"},{"Metabolite":"glyco-beta-muricholate**","CHEM_ID":"100020214","LIB_ID":"209","COMP_ID":"62066","CHRO_LIB_ENTRY_ID":"218872","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3489","TYPE":"NAMED","INCHIKEY":"ZQYUKJFJPJDMMR-PRRFOZOMSA-N","SMILES":"CC(C1CCC2C3[C@H]([C@H]([C@@]4(C[C@@H](CC[C@@]4(C3CC[C@]12C)C)O)[H])O)O)CCC(NCC(O)=O)=O","PLOT_NAME":"glyco-beta-muricholate**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020214"},{"Metabolite":"genistein glucuronide*","CHEM_ID":"100020216","LIB_ID":"209","COMP_ID":"62063","CHRO_LIB_ENTRY_ID":"218867","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4713","TYPE":"NAMED","INCHIKEY":"JIVINIISUDEORF-UHFFFAOYSA-N","SMILES":"O=C1C(C(O)=C2)=C(C=C2OC3OC(C(O)=O)C(O)C(O)C3O)OC=C1C(C=C4)=CC=C4O","PLOT_NAME":"genistein glucuronide*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020216"},{"Metabolite":"3-formylindole","CHEM_ID":"100020219","LIB_ID":"209","COMP_ID":"62863","CHRO_LIB_ENTRY_ID":"220649","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4807","TYPE":"NAMED","INCHIKEY":"OLNJUISKUQQNIM-UHFFFAOYSA-N","SMILES":"O=CC1=CNC2=CC=CC=C12","PLOT_NAME":"3-formylindole","CAS":"487-89-8","CHEMSPIDER":"9838","HMDB":"HMDB29737","KEGG":"C08493","PUBCHEM":"10256","PLATFORM":"Neg","metab.id":"M0100020219"},{"Metabolite":"resveratrol disulfate (1)*","CHEM_ID":"100020247","LIB_ID":"209","COMP_ID":"62110","CHRO_LIB_ENTRY_ID":"218957","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5216","TYPE":"NAMED","INCHIKEY":"DHYDAGFKCXRMSL-OWOJBTEDSA-N","SMILES":"OC1=CC(OS(=O)(O)=O)=CC(/C=C/C2=CC=C(OS(=O)(O)=O)C=C2)=C1","PLOT_NAME":"resveratrol disulfate (1)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020247"},{"Metabolite":"glycine conjugate of C10H14O2 (1)*","CHEM_ID":"100020254","LIB_ID":"209","COMP_ID":"62146","CHRO_LIB_ENTRY_ID":"219038","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6449","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"glycine conjugate of C10H14O2 (1)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020254"},{"Metabolite":"dihydroferulic acid sulfate","CHEM_ID":"100020272","LIB_ID":"209","COMP_ID":"62857","CHRO_LIB_ENTRY_ID":"220633","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4902","TYPE":"NAMED","INCHIKEY":"UMCDODPBPQMWQP-UHFFFAOYSA-N","SMILES":"COC1=C(OS(=O)(O)=O)C=CC(CCC(O)=O)=C1","PLOT_NAME":"dihydroferulic acid sulfate","CAS":"NA","CHEMSPIDER":"162994","HMDB":"HMDB0041724","KEGG":"NA","PUBCHEM":"187489","PLATFORM":"Neg","metab.id":"M0100020272"},{"Metabolite":"tetradecadienoate (14:2)*","CHEM_ID":"100020343","LIB_ID":"209","COMP_ID":"62850","CHRO_LIB_ENTRY_ID":"220619","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1568","TYPE":"NAMED","INCHIKEY":"HXHZGHRLVRFQDR-HZJYTTRNSA-N","SMILES":"OC(CCC/C=C\\C/C=C\\CCCCC)=O","PLOT_NAME":"tetradecadienoate (14:2)*","CAS":"39039-37-7","CHEMSPIDER":"4471834","HMDB":"HMDB0000560","KEGG":"NA","PUBCHEM":"5312409","PLATFORM":"Neg","metab.id":"M0100020343"},{"Metabolite":"3-indoleglyoxylic acid","CHEM_ID":"100020372","LIB_ID":"209","COMP_ID":"63583","CHRO_LIB_ENTRY_ID":"222852","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5237","TYPE":"NAMED","INCHIKEY":"DWLVFWDCSFTDOD-UHFFFAOYSA-N","SMILES":"OC(C(C1=CNC2=C1C=CC=C2)=O)=O","PLOT_NAME":"3-indoleglyoxylic acid","CAS":"1477-49-2","CHEMSPIDER":"66497","HMDB":"NA","KEGG":"NA","PUBCHEM":"73863","PLATFORM":"Neg","metab.id":"M0100020372"},{"Metabolite":"ethyl beta-glucopyranoside","CHEM_ID":"100020377","LIB_ID":"209","COMP_ID":"64131","CHRO_LIB_ENTRY_ID":"233912","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5247","TYPE":"NAMED","INCHIKEY":"WYUFTYLVLQZQNH-JAJWTYFOSA-N","SMILES":"O[C@H]([C@H]1O)[C@@H]([C@@H](CO)O[C@H]1OCC)O","PLOT_NAME":"ethyl beta-glucopyranoside","CAS":"NA","CHEMSPIDER":"108559","HMDB":"HMDB0029968","KEGG":"NA","PUBCHEM":"121667","PLATFORM":"Neg","metab.id":"M0100020377"},{"Metabolite":"2-hydroxysebacate","CHEM_ID":"100020378","LIB_ID":"209","COMP_ID":"63357","CHRO_LIB_ENTRY_ID":"222415","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1727","TYPE":"NAMED","INCHIKEY":"LPIOYESQKJFWPQ-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CCCCCCCC(O)=O","PLOT_NAME":"2-hydroxysebacate","CAS":"103963-71-9","CHEMSPIDER":"113866","HMDB":"HMDB0000424","KEGG":"NA","PUBCHEM":"128458","PLATFORM":"Neg","metab.id":"M0100020378"},{"Metabolite":"enterolactone sulfate","CHEM_ID":"100020407","LIB_ID":"209","COMP_ID":"64041","CHRO_LIB_ENTRY_ID":"233186","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4910","TYPE":"NAMED","INCHIKEY":"CGSFDOCYHBJLFW-WMLDXEAASA-N","SMILES":"O=C([C@@]1(CC2=CC(OS(=O)(O)=O)=CC=C2)[H])OC[C@@]1(CC3=CC(O)=CC=C3)[H]","PLOT_NAME":"enterolactone sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240506,HMDB0240505","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020407"},{"Metabolite":"6-bromotryptophan","CHEM_ID":"100020414","LIB_ID":"209","COMP_ID":"62503","CHRO_LIB_ENTRY_ID":"219798","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"332","TYPE":"NAMED","INCHIKEY":"OAORYCZPERQARS-UHFFFAOYSA-N","SMILES":"Brc1ccc2c(CC(N)C(O)=O)c[nH]c2c1","PLOT_NAME":"6-bromotryptophan","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"9856996","PLATFORM":"Neg","metab.id":"M0100020414"},{"Metabolite":"dodecadienoate (12:2)*","CHEM_ID":"100020478","LIB_ID":"209","COMP_ID":"62276","CHRO_LIB_ENTRY_ID":"219247","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1707","TYPE":"NAMED","INCHIKEY":"QHRHXXRXWDTFLI-HZJYTTRNSA-N","SMILES":"CCCCC/C=C\\C/C=C\\CC(O)=O","PLOT_NAME":"dodecadienoate (12:2)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"25480","PLATFORM":"Neg","metab.id":"M0100020478"},{"Metabolite":"gamma-CEHC sulfate","CHEM_ID":"100020480","LIB_ID":"209","COMP_ID":"62280","CHRO_LIB_ENTRY_ID":"219253","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4400","TYPE":"NAMED","INCHIKEY":"XJAVOQFBEMHLBM-UHFFFAOYSA-N","SMILES":"O=S(OC1=C(C)C(C)=C2C(CCC(C)(CCC(O)=O)O2)=C1)(O)=O","PLOT_NAME":"gamma-CEHC sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020480"},{"Metabolite":"delta-CEHC sulfate","CHEM_ID":"100020484","LIB_ID":"209","COMP_ID":"62285","CHRO_LIB_ENTRY_ID":"219258","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Tocopherol Metabolism","PATHWAY_SORTORDER":"4399","TYPE":"NAMED","INCHIKEY":"LUHSNVSFONCQQJ-UHFFFAOYSA-N","SMILES":"CC1=C2C(CCC(C)(CCC(O)=O)O2)=CC(OS(=O)(O)=O)=C1","PLOT_NAME":"delta-CEHC sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020484"},{"Metabolite":"2-naphthol sulfate","CHEM_ID":"100020515","LIB_ID":"209","COMP_ID":"62520","CHRO_LIB_ENTRY_ID":"219835","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6206","TYPE":"NAMED","INCHIKEY":"HXEZIDSFDHEIIQ-UHFFFAOYSA-N","SMILES":"O=S(OC1=CC=C(C=CC=C2)C2=C1)(O)=O","PLOT_NAME":"2-naphthol sulfate","CAS":"NA","CHEMSPIDER":"67020","HMDB":"NA","KEGG":"NA","PUBCHEM":"74428","PLATFORM":"Neg","metab.id":"M0100020515"},{"Metabolite":"4-ethylcatechol sulfate","CHEM_ID":"100020536","LIB_ID":"209","COMP_ID":"63072","CHRO_LIB_ENTRY_ID":"221702","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4526","TYPE":"NAMED","INCHIKEY":"KHZCNGJFSKSSIJ-UHFFFAOYSA-N","SMILES":"OC1=CC=C(CC)C=C1OS(=O)(O)=O","PLOT_NAME":"4-ethylcatechol sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020536"},{"Metabolite":"4-allylcatechol sulfate","CHEM_ID":"100020578","LIB_ID":"209","COMP_ID":"63597","CHRO_LIB_ENTRY_ID":"222898","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4528","TYPE":"NAMED","INCHIKEY":"USWXDXYEVISELK-UHFFFAOYSA-N","SMILES":"OS(OC1=CC=C(CC=C)C=C1O)(=O)=O","PLOT_NAME":"4-allylcatechol sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020578"},{"Metabolite":"heptadecatrienoate (17:3)*","CHEM_ID":"100020715","LIB_ID":"209","COMP_ID":"62383","CHRO_LIB_ENTRY_ID":"219530","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Long Chain Polyunsaturated Fatty Acid (n3 and n6)","PATHWAY_SORTORDER":"1570","TYPE":"NAMED","INCHIKEY":"FAFSAZIEJFMBBY-PDBXOOCHSA-N","SMILES":"O=C(CCCCCC/C=C\\C/C=C\\C/C=C\\CC)O","PLOT_NAME":"heptadecatrienoate (17:3)*","CAS":"NA","CHEMSPIDER":"17220717","HMDB":"NA","KEGG":"C16344","PUBCHEM":"16061034","PLATFORM":"Neg","metab.id":"M0100020715"},{"Metabolite":"2,6-dihydroxybenzoic acid","CHEM_ID":"100020837","LIB_ID":"209","COMP_ID":"63042","CHRO_LIB_ENTRY_ID":"221621","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Drug - Topical Agents","PATHWAY_SORTORDER":"5991","TYPE":"NAMED","INCHIKEY":"AKEUNCKRJATALU-UHFFFAOYSA-N","SMILES":"OC(C1=C(O)C=CC=C1O)=O","PLOT_NAME":"2,6-dihydroxybenzoic acid","CAS":"303-07-1","CHEMSPIDER":"8974","HMDB":"HMDB0013676","KEGG":"NA","PUBCHEM":"9338","PLATFORM":"Neg","metab.id":"M0100020837"},{"Metabolite":"tauroursodeoxycholic acid sulfate (2)","CHEM_ID":"100020845","LIB_ID":"209","COMP_ID":"62785","CHRO_LIB_ENTRY_ID":"220400","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3568","TYPE":"NAMED","INCHIKEY":"GLVWZDCWCRWVFM-LBSADWJPSA-N","SMILES":"[H][C@@]12[C@@]3(C)CC[C@@H](OS(=O)(O)=O)C[C@@]3([H])C[C@H](O)[C@@]1([H])[C@]4([H])CC[C@]([H])([C@H](C)CCC(NCCS(=O)(O)=O)=O)[C@@]4(C)CC2","PLOT_NAME":"tauroursodeoxycholic acid sulfate (2)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020845"},{"Metabolite":"12-ketolithocholate","CHEM_ID":"100020859","LIB_ID":"209","COMP_ID":"63118","CHRO_LIB_ENTRY_ID":"221780","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3516","TYPE":"NAMED","INCHIKEY":"CVNYHSDFZXHMMJ-VPUMZWJWSA-N","SMILES":"O=C1[C@@]([C@]([C@H](C)CCC(O)=O)([H])CC2)(C)[C@]2([H])[C@@]3([H])[C@@](C1)([H])[C@](CC[C@H]4O)(C)[C@](C4)([H])CC3","PLOT_NAME":"12-ketolithocholate","CAS":"5130-29-0","CHEMSPIDER":"2338365","HMDB":"HMDB0000328","KEGG":"NA","PUBCHEM":"3080612","PLATFORM":"Neg","metab.id":"M0100020859"},{"Metabolite":"3-dehydrodeoxycholate","CHEM_ID":"100020860","LIB_ID":"209","COMP_ID":"63119","CHRO_LIB_ENTRY_ID":"221781","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Secondary Bile Acid Metabolism","PATHWAY_SORTORDER":"3505","TYPE":"NAMED","INCHIKEY":"WMUMZOAFCDOTRW-OVEHVULHSA-N","SMILES":"O[C@@H]1[C@@]([C@]([C@H](C)CCC(O)=O)([H])CC2)(C)[C@]2([H])[C@@]3([H])[C@@](C1)([H])[C@](CCC4=O)(C)[C@](C4)([H])CC3","PLOT_NAME":"3-dehydrodeoxycholate","CAS":"1/7/85","CHEMSPIDER":"141233","HMDB":"HMDB0062742","KEGG":"NA","PUBCHEM":"160738","PLATFORM":"Neg","metab.id":"M0100020860"},{"Metabolite":"2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*","CHEM_ID":"100020893","LIB_ID":"209","COMP_ID":"62805","CHRO_LIB_ENTRY_ID":"220431","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"454","TYPE":"NAMED","INCHIKEY":"XMZBEAXQGSBWLG-NSCUHMNNSA-N","SMILES":"OC(C(O)=O)C(O)/C=C/SC","PLOT_NAME":"2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0240388","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020893"},{"Metabolite":"3-hydroxy-2-methylpyridine sulfate","CHEM_ID":"100020975","LIB_ID":"209","COMP_ID":"63227","CHRO_LIB_ENTRY_ID":"222084","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6285","TYPE":"NAMED","INCHIKEY":"GOXQGRHDLROYBT-UHFFFAOYSA-N","SMILES":"CC1=NC=CC=C1OS(=O)(O)=O","PLOT_NAME":"3-hydroxy-2-methylpyridine sulfate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100020975"},{"Metabolite":"glycitein glucuronide (2)*","CHEM_ID":"100021011","LIB_ID":"209","COMP_ID":"63735","CHRO_LIB_ENTRY_ID":"223268","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4946","TYPE":"NAMED","INCHIKEY":"FXGSRMKCZRQRER-UHFFFAOYSA-N","SMILES":"OC1=C(OC)C=C(C2=C1)C(C(C3=CC=C(OC4OC(C(O)=O)C(O)C(O)C4O)C=C3)=CO2)=O","PLOT_NAME":"glycitein glucuronide (2)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021011"},{"Metabolite":"glycitein sulfate (2)","CHEM_ID":"100021092","LIB_ID":"209","COMP_ID":"62887","CHRO_LIB_ENTRY_ID":"220738","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4948","TYPE":"NAMED","INCHIKEY":"WXAIESXRQLSDGI-UHFFFAOYSA-N","SMILES":"COC1=C(O)C=C2C(C(C(C3=CC=C(OS(O)(=O)=O)C=C3)=CO2)=O)=C1","PLOT_NAME":"glycitein sulfate (2)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021092"},{"Metabolite":"tetradecadienedioate (C14:2-DC)*","CHEM_ID":"100021100","LIB_ID":"209","COMP_ID":"62918","CHRO_LIB_ENTRY_ID":"220774","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1712","TYPE":"NAMED","INCHIKEY":"MUFSRLVOUKHPIZ-OVYZBVKCSA-N","SMILES":"O=C(O)CCC/C=C\\C/C=C\\CCCCC(O)=O","PLOT_NAME":"tetradecadienedioate (C14:2-DC)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"86018718","PLATFORM":"Neg","metab.id":"M0100021100"},{"Metabolite":"eicosenedioate (C20:1-DC)*","CHEM_ID":"100021105","LIB_ID":"209","COMP_ID":"62923","CHRO_LIB_ENTRY_ID":"220779","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1721","TYPE":"NAMED","INCHIKEY":"NZLFRLCYQVOISV-IWQZZHSRSA-N","SMILES":"OC(CCCCCCCCC/C=C\\CCCCCCCC(O)=O)=O","PLOT_NAME":"eicosenedioate (C20:1-DC)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021105"},{"Metabolite":"hexanoyltaurine","CHEM_ID":"100021223","LIB_ID":"209","COMP_ID":"63224","CHRO_LIB_ENTRY_ID":"222081","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Endocannabinoid","PATHWAY_SORTORDER":"2198","TYPE":"NAMED","INCHIKEY":"ADFXUGRCALOSKU-UHFFFAOYSA-N","SMILES":"CCCCCC(NCCS(=O)(O)=O)=O","PLOT_NAME":"hexanoyltaurine","CAS":"NA","CHEMSPIDER":"1680723","HMDB":"NA","KEGG":"NA","PUBCHEM":"2245940","PLATFORM":"Neg","metab.id":"M0100021223"},{"Metabolite":"3,5-dichloro-2,6-dihydroxybenzoic acid","CHEM_ID":"100021324","LIB_ID":"209","COMP_ID":"63589","CHRO_LIB_ENTRY_ID":"222869","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6290","TYPE":"NAMED","INCHIKEY":"KLXACYSQYFWVLM-UHFFFAOYSA-N","SMILES":"ClC1=C(O)C(C(O)=O)=C(O)C(Cl)=C1","PLOT_NAME":"3,5-dichloro-2,6-dihydroxybenzoic acid","CAS":"NA","CHEMSPIDER":"24339141","HMDB":"NA","KEGG":"NA","PUBCHEM":"24721632","PLATFORM":"Neg","metab.id":"M0100021324"},{"Metabolite":"branched chain 14:0 dicarboxylic acid**","CHEM_ID":"100021374","LIB_ID":"209","COMP_ID":"63191","CHRO_LIB_ENTRY_ID":"221986","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1711","TYPE":"NAMED","INCHIKEY":"JUODHHFNSQAXKF-UHFFFAOYSA-N","SMILES":"CCCCCC(CCCC(O)=O)CCCC(O)=O","PLOT_NAME":"branched chain 14:0 dicarboxylic acid**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021374"},{"Metabolite":"(2 or 3)-decenoate (10:1n7 or n8)","CHEM_ID":"100021502","LIB_ID":"209","COMP_ID":"63436","CHRO_LIB_ENTRY_ID":"222605","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Medium Chain Fatty Acid","PATHWAY_SORTORDER":"1516","TYPE":"NAMED","INCHIKEY":"WXBXVVIUZANZAU-CMDGGOBGSA-N","SMILES":"CCCCCCC/C=C/C(O)=O","PLOT_NAME":"(2 or 3)-decenoate (10:1n7 or n8)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021502"},{"Metabolite":"chenodeoxycholic acid sulfate (1)","CHEM_ID":"100021650","LIB_ID":"209","COMP_ID":"63607","CHRO_LIB_ENTRY_ID":"222931","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Primary Bile Acid Metabolism","PATHWAY_SORTORDER":"3477","TYPE":"NAMED","INCHIKEY":"WHMOBEGYTDWMIG-BSWAIDMHSA-N","SMILES":"O[C@H]1[C@]2([H])[C@@](CC[C@@]3(C)[C@@]2([H])CC[C@]3([H])[C@H](C)CCC(O)=O)([H])[C@@]4(C)CC[C@@H](OS(=O)(O)=O)C[C@@]4([H])C1","PLOT_NAME":"chenodeoxycholic acid sulfate (1)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0002522","KEGG":"NA","PUBCHEM":"21252308","PLATFORM":"Neg","metab.id":"M0100021650"},{"Metabolite":"branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*","CHEM_ID":"100021666","LIB_ID":"209","COMP_ID":"63615","CHRO_LIB_ENTRY_ID":"222957","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6461","TYPE":"NAMED","INCHIKEY":"NIFITBVFNGQSNA-SOFGYWHQSA-N","SMILES":"CC(C)CCCC/C=C/C(O)=O","PLOT_NAME":"branched-chain, straight-chain, or cyclopropyl 10:1 fatty acid (1)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021666"},{"Metabolite":"3-bromo-5-chloro-2,6-dihydroxybenzoic acid*","CHEM_ID":"100021707","LIB_ID":"209","COMP_ID":"63681","CHRO_LIB_ENTRY_ID":"223106","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6291","TYPE":"NAMED","INCHIKEY":"AJSVSHDVMDXRFN-UHFFFAOYSA-N","SMILES":"OC(C1=C(O)C(Cl)=CC(Br)=C1O)=O","PLOT_NAME":"3-bromo-5-chloro-2,6-dihydroxybenzoic acid*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"134581543","PLATFORM":"Neg","metab.id":"M0100021707"},{"Metabolite":"branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*","CHEM_ID":"100021709","LIB_ID":"209","COMP_ID":"63683","CHRO_LIB_ENTRY_ID":"223108","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6464","TYPE":"NAMED","INCHIKEY":"FQSFPMAZIOPKLO-JXMROGBWSA-N","SMILES":"OC(/C=C/CCCC(C)CCCC)=O","PLOT_NAME":"branched-chain, straight-chain, or cyclopropyl 12:1 fatty acid*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021709"},{"Metabolite":"decadienedioic acid (C10:2-DC)**","CHEM_ID":"100021711","LIB_ID":"209","COMP_ID":"63685","CHRO_LIB_ENTRY_ID":"223110","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1700","TYPE":"NAMED","INCHIKEY":"FRWVXIATCBRYHA-KPMZXABDSA-N","SMILES":"OC(/C=C/C=C/CCCCC(O)=O)=O","PLOT_NAME":"decadienedioic acid (C10:2-DC)**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"17789717","PLATFORM":"Neg","metab.id":"M0100021711"},{"Metabolite":"cis-3,4-methyleneheptanoate","CHEM_ID":"100021727","LIB_ID":"209","COMP_ID":"64390","CHRO_LIB_ENTRY_ID":"237469","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Branched","PATHWAY_SORTORDER":"1661","TYPE":"NAMED","INCHIKEY":"VFMNSFWBDMRNLJ-BQBZGAKWSA-N","SMILES":"O=C(C[C@@]1([H])[C@@](C1)([H])CCC)O","PLOT_NAME":"cis-3,4-methyleneheptanoate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021727"},{"Metabolite":"4-chlorobenzoic acid","CHEM_ID":"100021784","LIB_ID":"209","COMP_ID":"63988","CHRO_LIB_ENTRY_ID":"232906","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6297","TYPE":"NAMED","INCHIKEY":"XRHGYUZYPHTUJZ-UHFFFAOYSA-N","SMILES":"O=C(O)C1=CC=C(Cl)C=C1","PLOT_NAME":"4-chlorobenzoic acid","CAS":"74-11-3","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"C02370","PUBCHEM":"6318","PLATFORM":"Neg","metab.id":"M0100021784"},{"Metabolite":"2-methoxyhydroquinone sulfate (1)","CHEM_ID":"100021839","LIB_ID":"209","COMP_ID":"64049","CHRO_LIB_ENTRY_ID":"233195","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Benzoate Metabolism","PATHWAY_SORTORDER":"4606","TYPE":"NAMED","INCHIKEY":"LEJCLCZOTCOTQE-UHFFFAOYSA-N","SMILES":"OC1=CC=C(OS(=O)(O)=O)C=C1OC","PLOT_NAME":"2-methoxyhydroquinone sulfate (1)","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021839"},{"Metabolite":"2,4-di-tert-butylphenol","CHEM_ID":"100021918","LIB_ID":"209","COMP_ID":"64328","CHRO_LIB_ENTRY_ID":"237314","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6208","TYPE":"NAMED","INCHIKEY":"ICKWICRCANNIBI-UHFFFAOYSA-N","SMILES":"CC(C)(c1cc(C(C)(C)C)c(O)cc1)C","PLOT_NAME":"2,4-di-tert-butylphenol","CAS":"96-76-4","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021918"},{"Metabolite":"cis-3,4-methyleneheptanoylglycine","CHEM_ID":"100021992","LIB_ID":"209","COMP_ID":"64386","CHRO_LIB_ENTRY_ID":"237461","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (Acyl Glycine)","PATHWAY_SORTORDER":"1832","TYPE":"NAMED","INCHIKEY":"FFFQOVJTIDIKQJ-YUMQZZPRSA-N","SMILES":"O=C(NCC(O)=O)C[C@@H]1C[C@@H]1CCC","PLOT_NAME":"cis-3,4-methyleneheptanoylglycine","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100021992"},{"Metabolite":"bilirubin degradation product, C17H18N2O4 (1)**","CHEM_ID":"100022005","LIB_ID":"209","COMP_ID":"64409","CHRO_LIB_ENTRY_ID":"237542","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6476","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"bilirubin degradation product, C17H18N2O4 (1)**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022005"},{"Metabolite":"bilirubin degradation product, C17H18N2O4 (2)**","CHEM_ID":"100022006","LIB_ID":"209","COMP_ID":"64407","CHRO_LIB_ENTRY_ID":"237539","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6477","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"bilirubin degradation product, C17H18N2O4 (2)**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022006"},{"Metabolite":"bilirubin degradation product, C17H18N2O4 (3)**","CHEM_ID":"100022007","LIB_ID":"209","COMP_ID":"64408","CHRO_LIB_ENTRY_ID":"237541","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6478","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"bilirubin degradation product, C17H18N2O4 (3)**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022007"},{"Metabolite":"bilirubin degradation product, C17H20N2O5 (1)**","CHEM_ID":"100022008","LIB_ID":"209","COMP_ID":"64405","CHRO_LIB_ENTRY_ID":"237535","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6479","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"bilirubin degradation product, C17H20N2O5 (1)**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022008"},{"Metabolite":"bilirubin degradation product, C17H20N2O5 (2)**","CHEM_ID":"100022009","LIB_ID":"209","COMP_ID":"64406","CHRO_LIB_ENTRY_ID":"237537","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6480","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"bilirubin degradation product, C17H20N2O5 (2)**","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022009"},{"Metabolite":"N-lactoyl isoleucine","CHEM_ID":"100022479","LIB_ID":"209","COMP_ID":"64879","CHRO_LIB_ENTRY_ID":"240090","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lactoyl Amino Acid","PATHWAY_SORTORDER":"641","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"OC([C@@H](NC([C@H](C)O)=O)[C@H](CC)C)=O","PLOT_NAME":"N-lactoyl isoleucine","CAS":"210769-85-0","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022479"},{"Metabolite":"N-lactoyl leucine","CHEM_ID":"100022480","LIB_ID":"209","COMP_ID":"64880","CHRO_LIB_ENTRY_ID":"240091","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lactoyl Amino Acid","PATHWAY_SORTORDER":"642","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"OC([C@@H](NC([C@H](C)O)=O)CC(C)C)=O","PLOT_NAME":"N-lactoyl leucine","CAS":"210769-82-7","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022480"},{"Metabolite":"N-lactoyl phenylalanine","CHEM_ID":"100022482","LIB_ID":"209","COMP_ID":"64881","CHRO_LIB_ENTRY_ID":"240092","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lactoyl Amino Acid","PATHWAY_SORTORDER":"644","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"OC([C@@H](NC([C@H](C)O)=O)CC1=CC=CC=C1)=O","PLOT_NAME":"N-lactoyl phenylalanine","CAS":"183241-73-8","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022482"},{"Metabolite":"N-lactoyl valine","CHEM_ID":"100022485","LIB_ID":"209","COMP_ID":"64883","CHRO_LIB_ENTRY_ID":"240094","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lactoyl Amino Acid","PATHWAY_SORTORDER":"646","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"OC([C@@H](NC([C@H](C)O)=O)C(C)C)=O","PLOT_NAME":"N-lactoyl valine","CAS":"21753-44-6","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Neg","metab.id":"M0100022485"}]
}

}