{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003673","ANALYSIS_ID":"AN006034","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":"HILIC (LC/MS Polar Neg)","CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters ACQUITY UPLC BEH Amide (150 x 2.1mm,1.7um)","SOLVENT_A":"15% water/5% methanol/80% acetonitrile; 10 mM ammonium formate, (effective pH 10.16 with NH4OH)","SOLVENT_B":"50% water/50% acetonitrile; 10 mM ammonium formate, (effective pH 10.60 with NH4OH)","FLOW_GRADIENT":"Linear gradient from 5% B to 50% B in 3.5 minutes, then linear gradient from 50% B to 95% B in 2 minutes.","FLOW_RATE":"0.50 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 Polar). 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":"mevalonate","UNCO-05151":"0.920556985","UNCO-05152":"1.810400135","UNCO-05153":"1.361087246","UNCO-05154":"1.956453834","UNCO-05155":"1.17727051","UNCO-05156":"0.9226412","UNCO-05157":"0.83892398","UNCO-05158":"0.677407586","UNCO-05159":"1.477835655","UNCO-05160":"1.525178955","UNCO-05161":"1.220914896","UNCO-05162":"1","UNCO-05163":"1.378364318","UNCO-05164":"0.973042284","UNCO-05165":"0.91399241","UNCO-05166":"0.919911537","UNCO-05167":"0.956910397","UNCO-05168":"1.140264094","UNCO-05169":"0.930567908","UNCO-05170":"1.293762035","UNCO-05171":"0.77521997","UNCO-05173":"0.86345209","UNCO-05174":"0.909568176","UNCO-05175":"1.044864046","UNCO-05176":"1.039161867","UNCO-05177":"0.825439725","UNCO-05178":"0.925015758","UNCO-05179":"0.263642918","UNCO-05180":"1.187389367","UNCO-05181":"1.171234814","UNCO-05182":"1.49826981"},{"Metabolite":"2-oxoadipate","UNCO-05151":"0.530807519","UNCO-05152":"1.501020587","UNCO-05153":"0.460232319","UNCO-05154":"0.729243433","UNCO-05155":"0.391522828","UNCO-05156":"0.221184237","UNCO-05157":"1.787943776","UNCO-05158":"NA","UNCO-05159":"0.478397597","UNCO-05160":"0.830607272","UNCO-05161":"0.150746744","UNCO-05162":"0.582763071","UNCO-05163":"1.011440794","UNCO-05164":"0.563407927","UNCO-05165":"0.297587556","UNCO-05166":"1.07481588","UNCO-05167":"2.271378787","UNCO-05168":"1.831824743","UNCO-05169":"1.344992745","UNCO-05170":"2.221199467","UNCO-05171":"0.988559206","UNCO-05173":"1.030903184","UNCO-05174":"1.550712539","UNCO-05175":"1.43643279","UNCO-05176":"1.057862678","UNCO-05177":"0.771989744","UNCO-05178":"3.021587966","UNCO-05179":"0.354334933","UNCO-05180":"1.427640478","UNCO-05181":"1.652438732","UNCO-05182":"0.567687"},{"Metabolite":"alpha-ketoglutarate","UNCO-05151":"0.659303505","UNCO-05152":"2.746124305","UNCO-05153":"0.983512991","UNCO-05154":"1.162073812","UNCO-05155":"0.533541074","UNCO-05156":"1","UNCO-05157":"1.618493814","UNCO-05158":"0.602919792","UNCO-05159":"1.102158139","UNCO-05160":"1.003199326","UNCO-05161":"0.592739367","UNCO-05162":"0.874966229","UNCO-05163":"1.484449731","UNCO-05164":"0.959145633","UNCO-05165":"0.82388708","UNCO-05166":"0.638452843","UNCO-05167":"1.821144787","UNCO-05168":"1.398777331","UNCO-05169":"1.096200398","UNCO-05170":"1.564580328","UNCO-05171":"0.519785165","UNCO-05173":"1.126821688","UNCO-05174":"1.37317575","UNCO-05175":"0.923691747","UNCO-05176":"0.988464001","UNCO-05177":"0.754851283","UNCO-05178":"2.102598189","UNCO-05179":"0.288900783","UNCO-05180":"1.328819632","UNCO-05181":"1.210029336","UNCO-05182":"0.881433674"},{"Metabolite":"3-hydroxyisobutyrate","UNCO-05151":"0.846438303","UNCO-05152":"1.948084734","UNCO-05153":"1.365978681","UNCO-05154":"1.609354123","UNCO-05155":"0.745590256","UNCO-05156":"1.130086856","UNCO-05157":"1.211108599","UNCO-05158":"0.546864062","UNCO-05159":"1.01773027","UNCO-05160":"2.204074231","UNCO-05161":"0.931458077","UNCO-05162":"0.507599448","UNCO-05163":"1.478196351","UNCO-05164":"1.771639149","UNCO-05165":"0.833778765","UNCO-05166":"1","UNCO-05167":"1.558090352","UNCO-05168":"1.086146683","UNCO-05169":"1.222097671","UNCO-05170":"1.321358613","UNCO-05171":"0.704386903","UNCO-05173":"0.644170531","UNCO-05174":"0.752793394","UNCO-05175":"0.886711375","UNCO-05176":"0.821106429","UNCO-05177":"0.893966711","UNCO-05178":"1.259263303","UNCO-05179":"0.232751358","UNCO-05180":"0.881220997","UNCO-05181":"0.779708061","UNCO-05182":"1.808922213"},{"Metabolite":"3-hydroxy-3-methylglutarate","UNCO-05151":"0.755375786","UNCO-05152":"2.412537247","UNCO-05153":"1.809452619","UNCO-05154":"2.220711378","UNCO-05155":"0.999453956","UNCO-05156":"3.636939305","UNCO-05157":"0.743285902","UNCO-05158":"0.79485863","UNCO-05159":"2.063868019","UNCO-05160":"2.177590157","UNCO-05161":"1.233463117","UNCO-05162":"1.221271946","UNCO-05163":"1.808062697","UNCO-05164":"4.011920068","UNCO-05165":"1.862564535","UNCO-05166":"0.676860931","UNCO-05167":"1.132443427","UNCO-05168":"1.141647596","UNCO-05169":"0.739047735","UNCO-05170":"1.097553757","UNCO-05171":"0.690830717","UNCO-05173":"0.613434913","UNCO-05174":"0.771259749","UNCO-05175":"1.256278896","UNCO-05176":"0.816613998","UNCO-05177":"0.865830341","UNCO-05178":"0.841031287","UNCO-05179":"0.261824266","UNCO-05180":"0.697885864","UNCO-05181":"1","UNCO-05182":"0.66545093"},{"Metabolite":"quinolinate","UNCO-05151":"0.282947536","UNCO-05152":"1.524502819","UNCO-05153":"0.686967852","UNCO-05154":"1.312314377","UNCO-05155":"0.881284317","UNCO-05156":"0.979617333","UNCO-05157":"0.380382085","UNCO-05158":"0.532860575","UNCO-05159":"1.528172984","UNCO-05160":"1.018386964","UNCO-05161":"0.660099655","UNCO-05162":"0.737199722","UNCO-05163":"0.551666156","UNCO-05164":"1.115865684","UNCO-05165":"0.805061133","UNCO-05166":"1.423273625","UNCO-05167":"1.235944628","UNCO-05168":"1.264062148","UNCO-05169":"0.925396066","UNCO-05170":"1.564724554","UNCO-05171":"1","UNCO-05173":"1.028140609","UNCO-05174":"2.015863726","UNCO-05175":"0.851026035","UNCO-05176":"1.547893093","UNCO-05177":"0.610117248","UNCO-05178":"1.885208462","UNCO-05179":"0.365737062","UNCO-05180":"1.511547819","UNCO-05181":"1.935848407","UNCO-05182":"0.255987484"},{"Metabolite":"allantoic acid","UNCO-05151":"0.83087949","UNCO-05152":"1.49717902","UNCO-05153":"1.325106043","UNCO-05154":"1.357849566","UNCO-05155":"1.082657118","UNCO-05156":"0.615445039","UNCO-05157":"0.60416624","UNCO-05158":"0.905372499","UNCO-05159":"2.024024439","UNCO-05160":"1.512286292","UNCO-05161":"0.701122928","UNCO-05162":"0.99636961","UNCO-05163":"1.113006564","UNCO-05164":"1.075821534","UNCO-05165":"1.52603601","UNCO-05166":"0.943071522","UNCO-05167":"0.838370798","UNCO-05168":"0.918953164","UNCO-05169":"1.262521943","UNCO-05170":"1.460509689","UNCO-05171":"0.921724623","UNCO-05173":"0.891098543","UNCO-05174":"0.94770599","UNCO-05175":"1.125677069","UNCO-05176":"1.109857721","UNCO-05177":"0.930600807","UNCO-05178":"1","UNCO-05179":"0.107407294","UNCO-05180":"0.969852052","UNCO-05181":"1.37090087","UNCO-05182":"1.161728243"},{"Metabolite":"2-hydroxyphenylacetate","UNCO-05151":"0.733762118","UNCO-05152":"1","UNCO-05153":"0.837086311","UNCO-05154":"0.876137291","UNCO-05155":"0.996772995","UNCO-05156":"0.897709961","UNCO-05157":"0.655253168","UNCO-05158":"NA","UNCO-05159":"1.20816292","UNCO-05160":"1.365180821","UNCO-05161":"1.55863207","UNCO-05162":"0.91803275","UNCO-05163":"0.497585863","UNCO-05164":"0.725820262","UNCO-05165":"NA","UNCO-05166":"1.129549443","UNCO-05167":"1.420271193","UNCO-05168":"0.27516274","UNCO-05169":"1.168117818","UNCO-05170":"1.817868843","UNCO-05171":"NA","UNCO-05173":"0.412380489","UNCO-05174":"NA","UNCO-05175":"1.250209611","UNCO-05176":"1.231067758","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"1.399014329","UNCO-05182":"1.573904186"},{"Metabolite":"phenylpyruvate","UNCO-05151":"1","UNCO-05152":"3.299539261","UNCO-05153":"1.938206481","UNCO-05154":"1.477931412","UNCO-05155":"2.100665457","UNCO-05156":"2.214198223","UNCO-05157":"1.443082656","UNCO-05158":"1.402494913","UNCO-05159":"2.552255952","UNCO-05160":"1.592428858","UNCO-05161":"NA","UNCO-05162":"1.384266635","UNCO-05163":"1.757406312","UNCO-05164":"0.904420591","UNCO-05165":"0.958766682","UNCO-05166":"0.816828633","UNCO-05167":"1.204023673","UNCO-05168":"0.748842016","UNCO-05169":"0.861051722","UNCO-05170":"0.867662112","UNCO-05171":"0.682500018","UNCO-05173":"0.427387583","UNCO-05174":"0.376865846","UNCO-05175":"0.77295656","UNCO-05176":"0.737459774","UNCO-05177":"0.842126322","UNCO-05178":"1.205800844","UNCO-05179":"NA","UNCO-05180":"0.561154081","UNCO-05181":"0.711781614","UNCO-05182":"1.474843454"},{"Metabolite":"succinate","UNCO-05151":"1.40240084","UNCO-05152":"1.229616016","UNCO-05153":"1.736202158","UNCO-05154":"1.694824961","UNCO-05155":"1.707705964","UNCO-05156":"2.293027652","UNCO-05157":"1.501849285","UNCO-05158":"1.045460789","UNCO-05159":"3.219755319","UNCO-05160":"1.562522186","UNCO-05161":"1.627568447","UNCO-05162":"2.114161256","UNCO-05163":"2.151799494","UNCO-05164":"1.577619621","UNCO-05165":"2.276094664","UNCO-05166":"0.064899705","UNCO-05167":"0.164306635","UNCO-05168":"0.118351816","UNCO-05169":"0.079677203","UNCO-05170":"0.131331609","UNCO-05171":"0.09741723","UNCO-05173":"0.132434496","UNCO-05174":"0.171444918","UNCO-05175":"0.129557018","UNCO-05176":"0.105503208","UNCO-05177":"0.100931663","UNCO-05178":"0.2400005","UNCO-05179":"0.062366382","UNCO-05180":"0.151429023","UNCO-05181":"0.145827366","UNCO-05182":"1"},{"Metabolite":"3-hydroxybutyrate (BHBA)","UNCO-05151":"1.410129674","UNCO-05152":"3.273193337","UNCO-05153":"3.121216039","UNCO-05154":"2.959280435","UNCO-05155":"0.631803574","UNCO-05156":"4.387352105","UNCO-05157":"0.750360344","UNCO-05158":"1.715486851","UNCO-05159":"1.563290165","UNCO-05160":"3.235680388","UNCO-05161":"1.873431586","UNCO-05162":"0.585810572","UNCO-05163":"2.74525918","UNCO-05164":"5.335711228","UNCO-05165":"2.66998716","UNCO-05166":"0.554010182","UNCO-05167":"0.762085645","UNCO-05168":"0.78871877","UNCO-05169":"0.625733215","UNCO-05170":"0.522014484","UNCO-05171":"1.029706462","UNCO-05173":"0.627970561","UNCO-05174":"0.952200447","UNCO-05175":"0.366537485","UNCO-05176":"0.561411088","UNCO-05177":"1.141604781","UNCO-05178":"1","UNCO-05179":"0.346091187","UNCO-05180":"0.755999627","UNCO-05181":"0.875851612","UNCO-05182":"1.558355283"},{"Metabolite":"dehydroascorbate","UNCO-05151":"0.943500784","UNCO-05152":"0.865907979","UNCO-05153":"1.448303926","UNCO-05154":"1.103436041","UNCO-05155":"2.129576473","UNCO-05156":"2.853158735","UNCO-05157":"0.538918481","UNCO-05158":"2.084548102","UNCO-05159":"1.840916095","UNCO-05160":"1","UNCO-05161":"0.666871808","UNCO-05162":"3.76550425","UNCO-05163":"1.362286305","UNCO-05164":"2.178753698","UNCO-05165":"1.713974149","UNCO-05166":"0.520874579","UNCO-05167":"0.371294539","UNCO-05168":"0.293992529","UNCO-05169":"0.554211722","UNCO-05170":"0.432696115","UNCO-05171":"0.861141872","UNCO-05173":"0.999715606","UNCO-05174":"0.969720773","UNCO-05175":"0.453303217","UNCO-05176":"0.428751183","UNCO-05177":"0.224106698","UNCO-05178":"1.824576725","UNCO-05179":"1.513243504","UNCO-05180":"1.261399747","UNCO-05181":"1.593029157","UNCO-05182":"2.902081743"},{"Metabolite":"fumarate","UNCO-05151":"0.737634429","UNCO-05152":"2.127331628","UNCO-05153":"1.355925317","UNCO-05154":"1.332019208","UNCO-05155":"1.300949005","UNCO-05156":"2.21344774","UNCO-05157":"0.908801101","UNCO-05158":"0.617079497","UNCO-05159":"2.326703631","UNCO-05160":"1.439081024","UNCO-05161":"0.957959521","UNCO-05162":"1.549465722","UNCO-05163":"1.287546485","UNCO-05164":"1.46167527","UNCO-05165":"1.833698509","UNCO-05166":"0.360421054","UNCO-05167":"1.777504898","UNCO-05168":"1.369539905","UNCO-05169":"0.88920109","UNCO-05170":"1","UNCO-05171":"0.412783099","UNCO-05173":"0.694347668","UNCO-05174":"0.739973539","UNCO-05175":"0.822324913","UNCO-05176":"0.434827169","UNCO-05177":"0.48505668","UNCO-05178":"1.687140931","UNCO-05179":"0.256998904","UNCO-05180":"0.713090641","UNCO-05181":"0.670307488","UNCO-05182":"1.470543978"},{"Metabolite":"gluconate","UNCO-05151":"0.366144604","UNCO-05152":"0.635890331","UNCO-05153":"0.759055808","UNCO-05154":"0.728653821","UNCO-05155":"1.012783516","UNCO-05156":"0.835999119","UNCO-05157":"0.710241148","UNCO-05158":"0.555106408","UNCO-05159":"1","UNCO-05160":"0.609297598","UNCO-05161":"0.614214642","UNCO-05162":"1.062573085","UNCO-05163":"0.525789026","UNCO-05164":"0.652329212","UNCO-05165":"0.829593134","UNCO-05166":"1.141846395","UNCO-05167":"1.278113335","UNCO-05168":"5.088328028","UNCO-05169":"1.116282268","UNCO-05170":"1.266720929","UNCO-05171":"1.551318222","UNCO-05173":"1.458135323","UNCO-05174":"1.531181236","UNCO-05175":"1.471117707","UNCO-05176":"1.309062225","UNCO-05177":"0.896508573","UNCO-05178":"1.472341308","UNCO-05179":"0.311253531","UNCO-05180":"1.118034369","UNCO-05181":"1.758898771","UNCO-05182":"0.273572839"},{"Metabolite":"glutarate (C5-DC)","UNCO-05151":"1.194245687","UNCO-05152":"2.543076398","UNCO-05153":"2.870840856","UNCO-05154":"2.227310388","UNCO-05155":"1.668579039","UNCO-05156":"4.75174614","UNCO-05157":"2.560781037","UNCO-05158":"0.76085585","UNCO-05159":"3.266982648","UNCO-05160":"2.468550463","UNCO-05161":"1.202717063","UNCO-05162":"3.375744491","UNCO-05163":"3.096819527","UNCO-05164":"4.295123921","UNCO-05165":"2.658538735","UNCO-05166":"0.140740232","UNCO-05167":"1.187721012","UNCO-05168":"0.779688243","UNCO-05169":"0.399451911","UNCO-05170":"1","UNCO-05171":"0.216184236","UNCO-05173":"0.460366553","UNCO-05174":"0.458315009","UNCO-05175":"0.381313984","UNCO-05176":"0.247462283","UNCO-05177":"0.39469518","UNCO-05178":"0.803322521","UNCO-05179":"0.16659538","UNCO-05180":"0.728054956","UNCO-05181":"0.653794684","UNCO-05182":"0.942469548"},{"Metabolite":"myo-inositol","UNCO-05151":"0.845605519","UNCO-05152":"0.921110203","UNCO-05153":"1.115753489","UNCO-05154":"1.096186407","UNCO-05155":"1.382050118","UNCO-05156":"0.559573721","UNCO-05157":"1.06559714","UNCO-05158":"0.857565122","UNCO-05159":"1.276919469","UNCO-05160":"1","UNCO-05161":"1.150369902","UNCO-05162":"0.967446967","UNCO-05163":"0.774523234","UNCO-05164":"0.661554503","UNCO-05165":"0.565796611","UNCO-05166":"0.710194534","UNCO-05167":"0.954539622","UNCO-05168":"1.273611414","UNCO-05169":"1.128640653","UNCO-05170":"1.180717162","UNCO-05171":"1.031124414","UNCO-05173":"0.970853258","UNCO-05174":"1.526971655","UNCO-05175":"1.336591182","UNCO-05176":"1.326000798","UNCO-05177":"0.938585923","UNCO-05178":"1.093642808","UNCO-05179":"0.445989457","UNCO-05180":"0.974162818","UNCO-05181":"1.514611137","UNCO-05182":"0.445846788"},{"Metabolite":"2-aminoadipate","UNCO-05151":"0.526260274","UNCO-05152":"0.944096268","UNCO-05153":"0.979167521","UNCO-05154":"0.860532146","UNCO-05155":"1.931541391","UNCO-05156":"1.412933027","UNCO-05157":"0.911052531","UNCO-05158":"0.650926914","UNCO-05159":"1.318388517","UNCO-05160":"1.018994721","UNCO-05161":"0.651757751","UNCO-05162":"1.958706013","UNCO-05163":"0.864652142","UNCO-05164":"1.095835214","UNCO-05165":"1.127420711","UNCO-05166":"0.742009601","UNCO-05167":"1.580170681","UNCO-05168":"1","UNCO-05169":"1.048456967","UNCO-05170":"1.41616748","UNCO-05171":"0.569212517","UNCO-05173":"0.954618499","UNCO-05174":"1.620013266","UNCO-05175":"1.690754113","UNCO-05176":"1.182844062","UNCO-05177":"0.663456147","UNCO-05178":"1.295596904","UNCO-05179":"0.348322597","UNCO-05180":"0.985615914","UNCO-05181":"1.278262148","UNCO-05182":"0.437384606"},{"Metabolite":"methylmalonate (MMA)","UNCO-05151":"0.755829469","UNCO-05152":"1.49001472","UNCO-05153":"0.906221777","UNCO-05154":"1.067945939","UNCO-05155":"1.627442175","UNCO-05156":"1.011349316","UNCO-05157":"1.298169364","UNCO-05158":"1","UNCO-05159":"2.160587626","UNCO-05160":"1.268157466","UNCO-05161":"1.065448436","UNCO-05162":"1.657086482","UNCO-05163":"0.940289751","UNCO-05164":"0.90172751","UNCO-05165":"1.20917963","UNCO-05166":"0.628766357","UNCO-05167":"0.847151905","UNCO-05168":"1.004019292","UNCO-05169":"0.945245406","UNCO-05170":"1.091251535","UNCO-05171":"0.896470989","UNCO-05173":"0.904628733","UNCO-05174":"1.053344013","UNCO-05175":"0.855751009","UNCO-05176":"0.768363528","UNCO-05177":"0.570643365","UNCO-05178":"1.300431669","UNCO-05179":"0.374182771","UNCO-05180":"0.790022389","UNCO-05181":"1.25877125","UNCO-05182":"0.591474857"},{"Metabolite":"orotate","UNCO-05151":"0.673935786","UNCO-05152":"0.765235924","UNCO-05153":"0.614837308","UNCO-05154":"0.702100791","UNCO-05155":"0.690351463","UNCO-05156":"0.995712226","UNCO-05157":"0.656286039","UNCO-05158":"0.87540438","UNCO-05159":"1.00633849","UNCO-05160":"0.606330462","UNCO-05161":"0.642822129","UNCO-05162":"0.942775913","UNCO-05163":"1.035405154","UNCO-05164":"0.867138771","UNCO-05165":"1.049817428","UNCO-05166":"0.924141589","UNCO-05167":"1","UNCO-05168":"1.26865155","UNCO-05169":"1.228512293","UNCO-05170":"1.299990943","UNCO-05171":"1.809913736","UNCO-05173":"2.092485136","UNCO-05174":"1.690839825","UNCO-05175":"2.258062311","UNCO-05176":"1.468811278","UNCO-05177":"1.116779386","UNCO-05178":"1.425110394","UNCO-05179":"0.356201146","UNCO-05180":"1.452170678","UNCO-05181":"1.356441097","UNCO-05182":"0.862015264"},{"Metabolite":"lactate","UNCO-05151":"1.074268278","UNCO-05152":"1.356610916","UNCO-05153":"1.166515713","UNCO-05154":"1.138750001","UNCO-05155":"1.277896847","UNCO-05156":"1.429308077","UNCO-05157":"1.151558729","UNCO-05158":"1.099942658","UNCO-05159":"1.397645079","UNCO-05160":"1.070633761","UNCO-05161":"1.081534366","UNCO-05162":"1.446026513","UNCO-05163":"1.093668586","UNCO-05164":"1.002914591","UNCO-05165":"1.20577508","UNCO-05166":"0.672397934","UNCO-05167":"0.817163166","UNCO-05168":"0.7176625","UNCO-05169":"0.896127587","UNCO-05170":"0.88810986","UNCO-05171":"0.837069805","UNCO-05173":"0.910880177","UNCO-05174":"0.770065334","UNCO-05175":"1","UNCO-05176":"0.799608745","UNCO-05177":"0.787017076","UNCO-05178":"0.85334335","UNCO-05179":"0.195698077","UNCO-05180":"0.530747829","UNCO-05181":"0.610694483","UNCO-05182":"0.949781736"},{"Metabolite":"salicylate","UNCO-05151":"0.624630232","UNCO-05152":"0.667711796","UNCO-05153":"0.448001811","UNCO-05154":"0.611516683","UNCO-05155":"0.711586011","UNCO-05156":"0.852537936","UNCO-05157":"0.502369236","UNCO-05158":"0.891480804","UNCO-05159":"2.066000274","UNCO-05160":"1.412201477","UNCO-05161":"1.09960321","UNCO-05162":"0.598060272","UNCO-05163":"0.785419466","UNCO-05164":"1.113689383","UNCO-05165":"0.812067122","UNCO-05166":"0.832246131","UNCO-05167":"1.246538138","UNCO-05168":"1.729359173","UNCO-05169":"1","UNCO-05170":"1.402200652","UNCO-05171":"1.363691417","UNCO-05173":"1.128167756","UNCO-05174":"1.397426965","UNCO-05175":"1.602182173","UNCO-05176":"2.693988347","UNCO-05177":"2.150234309","UNCO-05178":"0.792158742","UNCO-05179":"0.554751954","UNCO-05180":"2.062453743","UNCO-05181":"1.013767137","UNCO-05182":"0.6525058"},{"Metabolite":"trans-urocanate","UNCO-05151":"0.981159897","UNCO-05152":"0.907947971","UNCO-05153":"1.031128548","UNCO-05154":"0.881665771","UNCO-05155":"0.756475583","UNCO-05156":"0.607125133","UNCO-05157":"0.495667287","UNCO-05158":"0.548086683","UNCO-05159":"0.662826485","UNCO-05160":"0.945579162","UNCO-05161":"0.700704793","UNCO-05162":"0.755517751","UNCO-05163":"1","UNCO-05164":"0.706255731","UNCO-05165":"0.657677878","UNCO-05166":"1.244126891","UNCO-05167":"2.566945167","UNCO-05168":"2.326808905","UNCO-05169":"1.90677774","UNCO-05170":"1.085412552","UNCO-05171":"3.190847692","UNCO-05173":"1.125200399","UNCO-05174":"1.137993289","UNCO-05175":"1.776046826","UNCO-05176":"1.041672879","UNCO-05177":"0.703825409","UNCO-05178":"1.046549861","UNCO-05179":"0.777239522","UNCO-05180":"2.027144045","UNCO-05181":"1.029357884","UNCO-05182":"1.425279844"},{"Metabolite":"glucose","UNCO-05151":"0.709797448","UNCO-05152":"0.521230206","UNCO-05153":"0.85898839","UNCO-05154":"0.496621855","UNCO-05155":"0.896016296","UNCO-05156":"1.087165415","UNCO-05157":"0.707610524","UNCO-05158":"0.96336656","UNCO-05159":"1.018240691","UNCO-05160":"0.65556956","UNCO-05161":"0.798285378","UNCO-05162":"0.870249037","UNCO-05163":"0.590738028","UNCO-05164":"0.859612087","UNCO-05165":"0.989834806","UNCO-05166":"1.032487611","UNCO-05167":"1.293873875","UNCO-05168":"1.083063716","UNCO-05169":"1.185891324","UNCO-05170":"1.135352668","UNCO-05171":"1.091946053","UNCO-05173":"1.215951436","UNCO-05174":"1.079808239","UNCO-05175":"1.049221162","UNCO-05176":"1","UNCO-05177":"1.107204804","UNCO-05178":"1.303740183","UNCO-05179":"0.443641074","UNCO-05180":"1.270468785","UNCO-05181":"1.19418891","UNCO-05182":"0.247070296"},{"Metabolite":"alpha-ketobutyrate","UNCO-05151":"1.305945582","UNCO-05152":"NA","UNCO-05153":"3.246095193","UNCO-05154":"0.878438323","UNCO-05155":"0.499506372","UNCO-05156":"1.289237239","UNCO-05157":"0.791422185","UNCO-05158":"NA","UNCO-05159":"0.907204165","UNCO-05160":"1.371679207","UNCO-05161":"1","UNCO-05162":"NA","UNCO-05163":"1.871226435","UNCO-05164":"0.514995758","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"0.446286935","UNCO-05169":"NA","UNCO-05170":"1.057738201","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":"mannose","UNCO-05151":"0.991246283","UNCO-05152":"0.721711704","UNCO-05153":"1.186896583","UNCO-05154":"0.743864102","UNCO-05155":"0.889486076","UNCO-05156":"1.115670982","UNCO-05157":"0.764126557","UNCO-05158":"1.247431682","UNCO-05159":"1.19960863","UNCO-05160":"1.028199977","UNCO-05161":"1.436994832","UNCO-05162":"0.753340923","UNCO-05163":"1","UNCO-05164":"0.923867477","UNCO-05165":"1.317323201","UNCO-05166":"0.808420241","UNCO-05167":"1.305454509","UNCO-05168":"0.884869129","UNCO-05169":"1.030153076","UNCO-05170":"1.140511373","UNCO-05171":"0.833483256","UNCO-05173":"0.864654994","UNCO-05174":"0.926963272","UNCO-05175":"1.050329944","UNCO-05176":"0.804933608","UNCO-05177":"1.074331651","UNCO-05178":"1.141374262","UNCO-05179":"0.308138749","UNCO-05180":"1.232082532","UNCO-05181":"1.021602033","UNCO-05182":"0.268646481"},{"Metabolite":"malonate","UNCO-05151":"0.93274913","UNCO-05152":"5.829347627","UNCO-05153":"1.09600909","UNCO-05154":"1.645381434","UNCO-05155":"1.428832409","UNCO-05156":"1.234289087","UNCO-05157":"1.897691775","UNCO-05158":"0.96224553","UNCO-05159":"1.252779575","UNCO-05160":"1.491540604","UNCO-05161":"0.768071845","UNCO-05162":"1.525663972","UNCO-05163":"1.463506899","UNCO-05164":"1.567791879","UNCO-05165":"1.129695366","UNCO-05166":"0.676398036","UNCO-05167":"0.970209071","UNCO-05168":"0.985775042","UNCO-05169":"1","UNCO-05170":"1.412386022","UNCO-05171":"0.709523352","UNCO-05173":"0.738367503","UNCO-05174":"0.852884136","UNCO-05175":"0.944321578","UNCO-05176":"0.829373647","UNCO-05177":"0.590956455","UNCO-05178":"1.144982443","UNCO-05179":"0.34089258","UNCO-05180":"0.623448435","UNCO-05181":"1.175428026","UNCO-05182":"0.961180022"},{"Metabolite":"uracil","UNCO-05151":"2.13292381","UNCO-05152":"2.869333538","UNCO-05153":"2.402380337","UNCO-05154":"2.511981525","UNCO-05155":"3.09562484","UNCO-05156":"2.889321687","UNCO-05157":"1.211958338","UNCO-05158":"1","UNCO-05159":"2.924698207","UNCO-05160":"2.731722832","UNCO-05161":"2.170130665","UNCO-05162":"3.245348919","UNCO-05163":"2.91245317","UNCO-05164":"1.343042311","UNCO-05165":"2.815593566","UNCO-05166":"0.565438735","UNCO-05167":"0.566871611","UNCO-05168":"0.614887604","UNCO-05169":"0.622124051","UNCO-05170":"0.629963288","UNCO-05171":"0.869854209","UNCO-05173":"0.748211403","UNCO-05174":"0.793589061","UNCO-05175":"0.781696135","UNCO-05176":"0.602771392","UNCO-05177":"0.623241527","UNCO-05178":"0.86686475","UNCO-05179":"0.337616148","UNCO-05180":"0.674960516","UNCO-05181":"0.866360677","UNCO-05182":"2.932246599"},{"Metabolite":"xylose","UNCO-05151":"0.956182407","UNCO-05152":"0.658263646","UNCO-05153":"0.649031185","UNCO-05154":"1.332031638","UNCO-05155":"3.685157363","UNCO-05156":"0.683677077","UNCO-05157":"0.95072523","UNCO-05158":"0.342747147","UNCO-05159":"3.921086354","UNCO-05160":"0.866503541","UNCO-05161":"0.830178518","UNCO-05162":"NA","UNCO-05163":"2.408305072","UNCO-05164":"0.466135678","UNCO-05165":"0.689443567","UNCO-05166":"NA","UNCO-05167":"6.676267357","UNCO-05168":"1.07805751","UNCO-05169":"6.150594324","UNCO-05170":"26.23544293","UNCO-05171":"0.586652011","UNCO-05173":"0.903085404","UNCO-05174":"0.79063332","UNCO-05175":"1.56874496","UNCO-05176":"1","UNCO-05177":"0.921948013","UNCO-05178":"1.647860212","UNCO-05179":"1.284383527","UNCO-05180":"1.292248931","UNCO-05181":"2.319134364","UNCO-05182":"1.428175712"},{"Metabolite":"fructose","UNCO-05151":"0.533946903","UNCO-05152":"0.382510335","UNCO-05153":"0.729897175","UNCO-05154":"0.428075221","UNCO-05155":"1","UNCO-05156":"1.014336209","UNCO-05157":"0.884935812","UNCO-05158":"0.971326388","UNCO-05159":"0.892779612","UNCO-05160":"0.642196389","UNCO-05161":"0.716907135","UNCO-05162":"1.014637016","UNCO-05163":"0.734303335","UNCO-05164":"0.98787463","UNCO-05165":"1.006816641","UNCO-05166":"1.003576405","UNCO-05167":"1.088006665","UNCO-05168":"0.8385358","UNCO-05169":"0.911228038","UNCO-05170":"1.129116451","UNCO-05171":"1.122084649","UNCO-05173":"1.819970394","UNCO-05174":"1.211500898","UNCO-05175":"1.180413672","UNCO-05176":"1.134832373","UNCO-05177":"1.107063419","UNCO-05178":"1.276325164","UNCO-05179":"0.155322583","UNCO-05180":"1.302240934","UNCO-05181":"1.415575037","UNCO-05182":"0.285179263"},{"Metabolite":"maltose","UNCO-05151":"0.452712417","UNCO-05152":"NA","UNCO-05153":"1.825281698","UNCO-05154":"NA","UNCO-05155":"0.332955187","UNCO-05156":"4.101206697","UNCO-05157":"0.203759923","UNCO-05158":"1","UNCO-05159":"1.099379265","UNCO-05160":"0.469233292","UNCO-05161":"0.587234609","UNCO-05162":"1.112871683","UNCO-05163":"0.941897028","UNCO-05164":"1.472996668","UNCO-05165":"1.021280584","UNCO-05166":"0.296312829","UNCO-05167":"1.091124993","UNCO-05168":"1.225422763","UNCO-05169":"0.801268598","UNCO-05170":"0.921871725","UNCO-05171":"0.854254267","UNCO-05173":"1.326777431","UNCO-05174":"1.60574815","UNCO-05175":"0.656442747","UNCO-05176":"NA","UNCO-05177":"0.722311689","UNCO-05178":"1.6745617","UNCO-05179":"0.589525681","UNCO-05180":"1.581014928","UNCO-05181":"1.415520103","UNCO-05182":"NA"},{"Metabolite":"dihydroorotate","UNCO-05151":"2.399691021","UNCO-05152":"0.436048609","UNCO-05153":"2.145566041","UNCO-05154":"2.36940657","UNCO-05155":"2.108771502","UNCO-05156":"1.611911861","UNCO-05157":"0.721742754","UNCO-05158":"2.469294313","UNCO-05159":"4.243456067","UNCO-05160":"2.385501283","UNCO-05161":"2.297976731","UNCO-05162":"1.720618318","UNCO-05163":"3.093577769","UNCO-05164":"0.794513637","UNCO-05165":"2.782597045","UNCO-05166":"0.469479489","UNCO-05167":"0.482323514","UNCO-05168":"0.049292489","UNCO-05169":"0.587732602","UNCO-05170":"0.534742203","UNCO-05171":"1","UNCO-05173":"0.78548485","UNCO-05174":"1.11608298","UNCO-05175":"0.451468287","UNCO-05176":"0.47929286","UNCO-05177":"0.375959606","UNCO-05178":"1.262500517","UNCO-05179":"0.025954767","UNCO-05180":"0.365624943","UNCO-05181":"0.544919701","UNCO-05182":"1.310728014"},{"Metabolite":"sucrose","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"0.530808123","UNCO-05155":"1.078000324","UNCO-05156":"0.458983336","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"0.538422382","UNCO-05160":"0.815170903","UNCO-05161":"NA","UNCO-05162":"1.132400046","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"1.512978776","UNCO-05167":"2.184267684","UNCO-05168":"NA","UNCO-05169":"0.321438918","UNCO-05170":"NA","UNCO-05171":"1.270847962","UNCO-05173":"0.921999676","UNCO-05174":"1.218137387","UNCO-05175":"1.786761468","UNCO-05176":"1.170418964","UNCO-05177":"NA","UNCO-05178":"0.643106984","UNCO-05179":"0.277940091","UNCO-05180":"NA","UNCO-05181":"1.598441139","UNCO-05182":"0.454187597"},{"Metabolite":"allantoin","UNCO-05151":"0.864405573","UNCO-05152":"1.362239332","UNCO-05153":"1.157354999","UNCO-05154":"1.281355916","UNCO-05155":"1.004286911","UNCO-05156":"0.864739662","UNCO-05157":"0.79330819","UNCO-05158":"0.77452247","UNCO-05159":"1.288786521","UNCO-05160":"1.297799705","UNCO-05161":"1","UNCO-05162":"0.852483227","UNCO-05163":"1.07804555","UNCO-05164":"0.956461807","UNCO-05165":"0.966076068","UNCO-05166":"0.85586306","UNCO-05167":"1.040600119","UNCO-05168":"1.097600777","UNCO-05169":"1.145274651","UNCO-05170":"1.225062942","UNCO-05171":"0.951869739","UNCO-05173":"0.832223461","UNCO-05174":"0.941290249","UNCO-05175":"1.146065161","UNCO-05176":"1.053968369","UNCO-05177":"0.923110414","UNCO-05178":"0.986835759","UNCO-05179":"0.274470145","UNCO-05180":"0.969144159","UNCO-05181":"1.079637231","UNCO-05182":"1.295504639"},{"Metabolite":"glycerate","UNCO-05151":"0.702536322","UNCO-05152":"0.600075313","UNCO-05153":"0.9713503","UNCO-05154":"1","UNCO-05155":"1.406202774","UNCO-05156":"1.41062419","UNCO-05157":"0.64098586","UNCO-05158":"1.265364556","UNCO-05159":"1.45552266","UNCO-05160":"0.854893488","UNCO-05161":"0.876970284","UNCO-05162":"2.089454126","UNCO-05163":"0.956782175","UNCO-05164":"1.482455559","UNCO-05165":"1.612975459","UNCO-05166":"0.768529873","UNCO-05167":"0.81756278","UNCO-05168":"9.673393172","UNCO-05169":"0.618156587","UNCO-05170":"0.886669736","UNCO-05171":"0.90525025","UNCO-05173":"1.28520121","UNCO-05174":"1.707896215","UNCO-05175":"1.069257322","UNCO-05176":"1.017618215","UNCO-05177":"0.524999668","UNCO-05178":"1.567500775","UNCO-05179":"0.450554706","UNCO-05180":"1.40653343","UNCO-05181":"1.614876028","UNCO-05182":"0.924694918"},{"Metabolite":"N-carbamoylaspartate","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":"0.708803579","UNCO-05162":"NA","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"NA","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"1.580492369","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"0.967735805","UNCO-05173":"NA","UNCO-05174":"1.596997252","UNCO-05175":"1.000029238","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"0.999970762","UNCO-05182":"NA"},{"Metabolite":"N-acetylalanine","UNCO-05151":"0.920431713","UNCO-05152":"0.855917514","UNCO-05153":"1.094046589","UNCO-05154":"0.963979099","UNCO-05155":"0.777569533","UNCO-05156":"0.877954885","UNCO-05157":"0.943505943","UNCO-05158":"0.592280961","UNCO-05159":"0.951819334","UNCO-05160":"0.874029731","UNCO-05161":"1.259500277","UNCO-05162":"0.727361347","UNCO-05163":"1.247769895","UNCO-05164":"0.612845619","UNCO-05165":"0.923353931","UNCO-05166":"1.194083792","UNCO-05167":"1.25780149","UNCO-05168":"1.07838101","UNCO-05169":"1.074726787","UNCO-05170":"1.407238325","UNCO-05171":"1.129571154","UNCO-05173":"1.025899144","UNCO-05174":"1.163746866","UNCO-05175":"1.262115633","UNCO-05176":"1","UNCO-05177":"0.917062035","UNCO-05178":"1.228927012","UNCO-05179":"0.356043271","UNCO-05180":"0.967762093","UNCO-05181":"1.196719903","UNCO-05182":"1.092563386"},{"Metabolite":"N-acetylneuraminate","UNCO-05151":"0.999311975","UNCO-05152":"1.885616277","UNCO-05153":"1.930931396","UNCO-05154":"0.996856257","UNCO-05155":"0.806918353","UNCO-05156":"1.214098155","UNCO-05157":"0.561534734","UNCO-05158":"0.628706355","UNCO-05159":"1.330304009","UNCO-05160":"2.130249118","UNCO-05161":"1.346041628","UNCO-05162":"0.676032623","UNCO-05163":"1.067859646","UNCO-05164":"0.607268716","UNCO-05165":"0.931871949","UNCO-05166":"0.913272601","UNCO-05167":"1.065729038","UNCO-05168":"1.374503923","UNCO-05169":"1.028533366","UNCO-05170":"1.33653101","UNCO-05171":"0.833092021","UNCO-05173":"1.15867739","UNCO-05174":"1","UNCO-05175":"1.665327413","UNCO-05176":"1.215862068","UNCO-05177":"0.916543364","UNCO-05178":"0.711578548","UNCO-05179":"0.273991836","UNCO-05180":"0.837291239","UNCO-05181":"1.191227761","UNCO-05182":"0.577476492"},{"Metabolite":"methylsuccinate","UNCO-05151":"1.774033523","UNCO-05152":"1.678369993","UNCO-05153":"4.541741246","UNCO-05154":"2.161296119","UNCO-05155":"6.254872844","UNCO-05156":"10.06352776","UNCO-05157":"2.099503697","UNCO-05158":"2.375043118","UNCO-05159":"7.596583372","UNCO-05160":"3.829992329","UNCO-05161":"8.091013182","UNCO-05162":"4.617334896","UNCO-05163":"3.320022344","UNCO-05164":"4.948802747","UNCO-05165":"8.90096326","UNCO-05166":"0.429220932","UNCO-05167":"0.979405844","UNCO-05168":"0.742870455","UNCO-05169":"0.59785519","UNCO-05170":"0.980319851","UNCO-05171":"0.3642288","UNCO-05173":"0.57685397","UNCO-05174":"0.656676489","UNCO-05175":"0.87176601","UNCO-05176":"0.509232052","UNCO-05177":"0.597554011","UNCO-05178":"0.848812872","UNCO-05179":"0.255824434","UNCO-05180":"0.967184306","UNCO-05181":"1","UNCO-05182":"0.861274839"},{"Metabolite":"tricarballylate","UNCO-05151":"0.455324106","UNCO-05152":"0.600681464","UNCO-05153":"0.843313954","UNCO-05154":"0.473834003","UNCO-05155":"0.807144947","UNCO-05156":"6.485133497","UNCO-05157":"3.944783977","UNCO-05158":"0.533909788","UNCO-05159":"1.555359687","UNCO-05160":"1","UNCO-05161":"0.619659558","UNCO-05162":"1.195413123","UNCO-05163":"0.699572565","UNCO-05164":"0.501084666","UNCO-05165":"1.275780498","UNCO-05166":"0.602116564","UNCO-05167":"2.713191092","UNCO-05168":"1.946463382","UNCO-05169":"2.366513828","UNCO-05170":"5.17775994","UNCO-05171":"0.479482653","UNCO-05173":"2.274755207","UNCO-05174":"1.856688176","UNCO-05175":"1.988041123","UNCO-05176":"0.63683313","UNCO-05177":"0.399979016","UNCO-05178":"2.492836681","UNCO-05179":"1.838888805","UNCO-05180":"0.546791888","UNCO-05181":"1.636247939","UNCO-05182":"0.212858657"},{"Metabolite":"ethylmalonate","UNCO-05151":"0.701806565","UNCO-05152":"0.70544041","UNCO-05153":"0.893381875","UNCO-05154":"0.621849375","UNCO-05155":"0.614193555","UNCO-05156":"0.604812839","UNCO-05157":"0.578693133","UNCO-05158":"0.743267555","UNCO-05159":"0.746528949","UNCO-05160":"1","UNCO-05161":"0.919761059","UNCO-05162":"0.574772395","UNCO-05163":"0.702022205","UNCO-05164":"1.644246022","UNCO-05165":"1.097253659","UNCO-05166":"1.385216668","UNCO-05167":"1.323687753","UNCO-05168":"1.179933441","UNCO-05169":"1.438966678","UNCO-05170":"1.820589025","UNCO-05171":"1.000730139","UNCO-05173":"0.971594008","UNCO-05174":"1.384301103","UNCO-05175":"1.859141369","UNCO-05176":"1.653630335","UNCO-05177":"1.14822022","UNCO-05178":"1.173366303","UNCO-05179":"0.291629439","UNCO-05180":"1.868229795","UNCO-05181":"1.675241612","UNCO-05182":"0.585840538"},{"Metabolite":"2-ketogulonate","UNCO-05151":"0.422871485","UNCO-05152":"0.39188094","UNCO-05153":"0.702956733","UNCO-05154":"0.632715274","UNCO-05155":"1.099130211","UNCO-05156":"1.694182186","UNCO-05157":"0.432561575","UNCO-05158":"1.44083472","UNCO-05159":"1.328894393","UNCO-05160":"0.859288799","UNCO-05161":"0.800296117","UNCO-05162":"1.110928121","UNCO-05163":"0.476123588","UNCO-05164":"1.269351373","UNCO-05165":"0.987428773","UNCO-05166":"1.502477845","UNCO-05167":"0.79150349","UNCO-05168":"0.856554225","UNCO-05169":"1.084477198","UNCO-05170":"1.538284749","UNCO-05171":"1.726789996","UNCO-05173":"2.006466408","UNCO-05174":"2.917485745","UNCO-05175":"1","UNCO-05176":"0.996340242","UNCO-05177":"0.724463053","UNCO-05178":"1.684182335","UNCO-05179":"0.523857368","UNCO-05180":"1.822128831","UNCO-05181":"2.328845699","UNCO-05182":"0.459496785"},{"Metabolite":"pimelate (C7-DC)","UNCO-05151":"0.7360016","UNCO-05152":"2.289794445","UNCO-05153":"1.48500902","UNCO-05154":"1.897463904","UNCO-05155":"1.649613033","UNCO-05156":"2.851211032","UNCO-05157":"1.048567269","UNCO-05158":"0.493375656","UNCO-05159":"2.820966722","UNCO-05160":"1.706466415","UNCO-05161":"1.265837449","UNCO-05162":"1.13324926","UNCO-05163":"1.749916554","UNCO-05164":"4.238607569","UNCO-05165":"1.276614591","UNCO-05166":"0.268790838","UNCO-05167":"0.492311968","UNCO-05168":"0.96545808","UNCO-05169":"0.622262368","UNCO-05170":"1.03454192","UNCO-05171":"0.4569804","UNCO-05173":"0.470581054","UNCO-05174":"0.845328931","UNCO-05175":"0.620988281","UNCO-05176":"0.507165929","UNCO-05177":"0.460858509","UNCO-05178":"0.647589559","UNCO-05179":"NA","UNCO-05180":"0.410048275","UNCO-05181":"0.828222915","UNCO-05182":"1.404585675"},{"Metabolite":"creatine phosphate","UNCO-05151":"0.998893963","UNCO-05152":"1.634829936","UNCO-05153":"1.328279807","UNCO-05154":"0.517552128","UNCO-05155":"0.783348168","UNCO-05156":"1.048572221","UNCO-05157":"0.466802854","UNCO-05158":"0.94871084","UNCO-05159":"0.325813842","UNCO-05160":"0.95763209","UNCO-05161":"0.522008376","UNCO-05162":"1.273885573","UNCO-05163":"1.114552114","UNCO-05164":"0.869575241","UNCO-05165":"1.05032612","UNCO-05166":"1.06546919","UNCO-05167":"NA","UNCO-05168":"1.001106037","UNCO-05169":"1.016882378","UNCO-05170":"NA","UNCO-05171":"1.299359433","UNCO-05173":"1.187585543","UNCO-05174":"NA","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.846152948","UNCO-05178":"NA","UNCO-05179":"1.324917923","UNCO-05180":"0.742853808","UNCO-05181":"NA","UNCO-05182":"0.279488713"},{"Metabolite":"glucuronate","UNCO-05151":"0.801958141","UNCO-05152":"1.007531752","UNCO-05153":"0.871871268","UNCO-05154":"0.780642319","UNCO-05155":"0.679152673","UNCO-05156":"0.880669906","UNCO-05157":"0.675113142","UNCO-05158":"0.77755482","UNCO-05159":"1.017081824","UNCO-05160":"1","UNCO-05161":"1.018088553","UNCO-05162":"0.632747505","UNCO-05163":"0.893505821","UNCO-05164":"1.006460882","UNCO-05165":"0.751330605","UNCO-05166":"1.179761095","UNCO-05167":"1.342867359","UNCO-05168":"1.475403833","UNCO-05169":"1.241824585","UNCO-05170":"1.922519245","UNCO-05171":"0.902930784","UNCO-05173":"0.864777224","UNCO-05174":"1.269134119","UNCO-05175":"1.495606778","UNCO-05176":"1.2667189","UNCO-05177":"0.920499374","UNCO-05178":"1.177483884","UNCO-05179":"0.38856571","UNCO-05180":"1.174260562","UNCO-05181":"1.253051622","UNCO-05182":"0.531664061"},{"Metabolite":"allo-threonine","UNCO-05151":"1","UNCO-05152":"2.360490797","UNCO-05153":"0.61050631","UNCO-05154":"3.126794583","UNCO-05155":"0.664989003","UNCO-05156":"0.946622726","UNCO-05157":"2.380790524","UNCO-05158":"NA","UNCO-05159":"1.227589979","UNCO-05160":"2.386915145","UNCO-05161":"0.722895969","UNCO-05162":"2.435755833","UNCO-05163":"2.935306541","UNCO-05164":"0.574340023","UNCO-05165":"2.681011838","UNCO-05166":"0.829402315","UNCO-05167":"1.144929435","UNCO-05168":"0.870075311","UNCO-05169":"0.836446203","UNCO-05170":"3.153303963","UNCO-05171":"0.652130747","UNCO-05173":"0.594568507","UNCO-05174":"3.363119902","UNCO-05175":"1.048909634","UNCO-05176":"1.432639516","UNCO-05177":"NA","UNCO-05178":"1.246499314","UNCO-05179":"0.222986746","UNCO-05180":"0.614413197","UNCO-05181":"0.910826445","UNCO-05182":"0.531805511"},{"Metabolite":"N-acetylglutamate","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"0.653624346","UNCO-05155":"0.580955576","UNCO-05156":"1.155866087","UNCO-05157":"1.258234944","UNCO-05158":"NA","UNCO-05159":"1","UNCO-05160":"0.926134222","UNCO-05161":"0.478152407","UNCO-05162":"1.125281487","UNCO-05163":"NA","UNCO-05164":"0.820225542","UNCO-05165":"NA","UNCO-05166":"0.859984552","UNCO-05167":"1.979403703","UNCO-05168":"1.398087083","UNCO-05169":"1.281993247","UNCO-05170":"NA","UNCO-05171":"0.719704279","UNCO-05173":"1.106244124","UNCO-05174":"1.667234568","UNCO-05175":"1.817774149","UNCO-05176":"0.768450555","UNCO-05177":"0.669349635","UNCO-05178":"4.113426169","UNCO-05179":"0.460002207","UNCO-05180":"NA","UNCO-05181":"1.802236886","UNCO-05182":"0.609365966"},{"Metabolite":"ribitol","UNCO-05151":"0.937596683","UNCO-05152":"1.382759167","UNCO-05153":"1.360831408","UNCO-05154":"1.61860655","UNCO-05155":"1.0645568","UNCO-05156":"1.687203276","UNCO-05157":"1.181123359","UNCO-05158":"0.843251626","UNCO-05159":"2.04560844","UNCO-05160":"1.398565998","UNCO-05161":"1.262417814","UNCO-05162":"1.363883288","UNCO-05163":"1.612128934","UNCO-05164":"1.253981273","UNCO-05165":"1.28364364","UNCO-05166":"0.689991932","UNCO-05167":"0.721693336","UNCO-05168":"0.755288813","UNCO-05169":"0.743010718","UNCO-05170":"0.833268163","UNCO-05171":"0.813078069","UNCO-05173":"1","UNCO-05174":"0.856220208","UNCO-05175":"0.888921103","UNCO-05176":"0.715049774","UNCO-05177":"0.692256045","UNCO-05178":"0.908947159","UNCO-05179":"0.257313544","UNCO-05180":"0.827151051","UNCO-05181":"1.069840368","UNCO-05182":"1.059790145"},{"Metabolite":"2-isopropylmalate","UNCO-05151":"5.013181319","UNCO-05152":"0.655134879","UNCO-05153":"1.40458056","UNCO-05154":"0.539952271","UNCO-05155":"2.723251201","UNCO-05156":"5.769363414","UNCO-05157":"1.405233559","UNCO-05158":"0.496414294","UNCO-05159":"1.952527414","UNCO-05160":"1.064081522","UNCO-05161":"3.078193755","UNCO-05162":"3.337943934","UNCO-05163":"0.956133762","UNCO-05164":"1.61334394","UNCO-05165":"4.152844599","UNCO-05166":"0.748358691","UNCO-05167":"1.050032725","UNCO-05168":"1.049094259","UNCO-05169":"0.6265892","UNCO-05170":"1.261659836","UNCO-05171":"0.642535067","UNCO-05173":"0.770409622","UNCO-05174":"0.619825095","UNCO-05175":"1.083203271","UNCO-05176":"0.843832506","UNCO-05177":"0.493486119","UNCO-05178":"0.997513871","UNCO-05179":"0.196200824","UNCO-05180":"0.523588525","UNCO-05181":"1","UNCO-05182":"0.661754488"},{"Metabolite":"quinate","UNCO-05151":"0.306066946","UNCO-05152":"1.740816355","UNCO-05153":"NA","UNCO-05154":"2.306616154","UNCO-05155":"0.964792637","UNCO-05156":"0.847361534","UNCO-05157":"0.953477909","UNCO-05158":"0.16519208","UNCO-05159":"1.035207363","UNCO-05160":"1.632557015","UNCO-05161":"0.241534021","UNCO-05162":"1.21846731","UNCO-05163":"0.288277907","UNCO-05164":"0.551749595","UNCO-05165":"0.251545438","UNCO-05166":"1.395947906","UNCO-05167":"0.958980544","UNCO-05168":"1.216918968","UNCO-05169":"0.830048827","UNCO-05170":"1.16833418","UNCO-05171":"1.368071405","UNCO-05173":"1.551622855","UNCO-05174":"1.853987932","UNCO-05175":"0.803233775","UNCO-05176":"1.665342584","UNCO-05177":"0.829633753","UNCO-05178":"1.771181187","UNCO-05179":"0.28622366","UNCO-05180":"0.709728047","UNCO-05181":"1.861919754","UNCO-05182":"1.581389896"},{"Metabolite":"gentisate","UNCO-05151":"1.462990366","UNCO-05152":"1.365391692","UNCO-05153":"0.805984141","UNCO-05154":"0.911707967","UNCO-05155":"0.961506727","UNCO-05156":"0.498055387","UNCO-05157":"0.7688428","UNCO-05158":"0.529118842","UNCO-05159":"1.234341407","UNCO-05160":"3.651096847","UNCO-05161":"2.962380253","UNCO-05162":"1.006033337","UNCO-05163":"0.878566254","UNCO-05164":"0.584193625","UNCO-05165":"0.584154887","UNCO-05166":"1.209563082","UNCO-05167":"2.313938849","UNCO-05168":"1.904733313","UNCO-05169":"1.409323685","UNCO-05170":"2.732129507","UNCO-05171":"0.968494939","UNCO-05173":"0.832486277","UNCO-05174":"0.932213567","UNCO-05175":"1.265856153","UNCO-05176":"2.282406672","UNCO-05177":"1.311012245","UNCO-05178":"0.893737725","UNCO-05179":"0.268881537","UNCO-05180":"0.923770768","UNCO-05181":"1","UNCO-05182":"1.110159249"},{"Metabolite":"maleate","UNCO-05151":"0.541614841","UNCO-05152":"3.266008641","UNCO-05153":"0.885768925","UNCO-05154":"1.244960432","UNCO-05155":"0.682513547","UNCO-05156":"0.9161471","UNCO-05157":"1.122707712","UNCO-05158":"0.678519722","UNCO-05159":"2.209186844","UNCO-05160":"1.142872085","UNCO-05161":"0.739949846","UNCO-05162":"0.969988782","UNCO-05163":"0.862211282","UNCO-05164":"2.282975862","UNCO-05165":"1.207820123","UNCO-05166":"0.934123673","UNCO-05167":"1.260066715","UNCO-05168":"1.271718713","UNCO-05169":"1.239515337","UNCO-05170":"1.357930254","UNCO-05171":"1","UNCO-05173":"0.828369234","UNCO-05174":"0.915881252","UNCO-05175":"1.298108294","UNCO-05176":"1.003105631","UNCO-05177":"0.951823065","UNCO-05178":"0.969386483","UNCO-05179":"0.537862458","UNCO-05180":"1.02322032","UNCO-05181":"1.04803573","UNCO-05182":"0.912797412"},{"Metabolite":"N-acetylaspartate (NAA)","UNCO-05151":"1.383413896","UNCO-05152":"1.160122529","UNCO-05153":"1.105106146","UNCO-05154":"NA","UNCO-05155":"1.07695981","UNCO-05156":"1.185162517","UNCO-05157":"1.047213899","UNCO-05158":"1.069114098","UNCO-05159":"0.803388151","UNCO-05160":"1.113299063","UNCO-05161":"1.106471634","UNCO-05162":"1","UNCO-05163":"1.05435084","UNCO-05164":"1.094928648","UNCO-05165":"0.951985347","UNCO-05166":"0.158826887","UNCO-05167":"0.186183529","UNCO-05168":"NA","UNCO-05169":"0.170123765","UNCO-05170":"NA","UNCO-05171":"0.113427517","UNCO-05173":"0.095976894","UNCO-05174":"0.095530444","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"0.126608236","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"0.12117523","UNCO-05182":"0.149698978"},{"Metabolite":"erythritol","UNCO-05151":"0.780854758","UNCO-05152":"1.204752738","UNCO-05153":"0.952872748","UNCO-05154":"1.217452006","UNCO-05155":"0.733174542","UNCO-05156":"0.905451842","UNCO-05157":"1.641691725","UNCO-05158":"0.635051012","UNCO-05159":"1.521750181","UNCO-05160":"1.132347158","UNCO-05161":"0.821341297","UNCO-05162":"0.623783953","UNCO-05163":"0.892819547","UNCO-05164":"0.888416447","UNCO-05165":"1.057563149","UNCO-05166":"0.976753212","UNCO-05167":"0.941121417","UNCO-05168":"1.377500571","UNCO-05169":"1.459653419","UNCO-05170":"1.851189301","UNCO-05171":"1.172679142","UNCO-05173":"1.096119468","UNCO-05174":"1.154898449","UNCO-05175":"0.87645389","UNCO-05176":"1.115662088","UNCO-05177":"0.763949876","UNCO-05178":"1","UNCO-05179":"0.290556518","UNCO-05180":"0.945837061","UNCO-05181":"1.554946876","UNCO-05182":"1.600569793"},{"Metabolite":"adipate (C6-DC)","UNCO-05151":"0.564608513","UNCO-05152":"1.499348991","UNCO-05153":"1.716520577","UNCO-05154":"2.421775011","UNCO-05155":"1.049958765","UNCO-05156":"5.651296615","UNCO-05157":"0.856943569","UNCO-05158":"1.09754463","UNCO-05159":"2.921211533","UNCO-05160":"1.477191444","UNCO-05161":"0.946704132","UNCO-05162":"1.019173985","UNCO-05163":"1.183225447","UNCO-05164":"6.165630432","UNCO-05165":"2.025547989","UNCO-05166":"0.885775323","UNCO-05167":"0.76207204","UNCO-05168":"0.589599178","UNCO-05169":"1.277861053","UNCO-05170":"0.824584606","UNCO-05171":"0.95813713","UNCO-05173":"1.037446678","UNCO-05174":"0.959199806","UNCO-05175":"0.824256366","UNCO-05176":"0.633085467","UNCO-05177":"0.942875352","UNCO-05178":"1","UNCO-05179":"0.427974638","UNCO-05180":"0.660135153","UNCO-05181":"1.178491274","UNCO-05182":"0.746125746"},{"Metabolite":"ribonate","UNCO-05151":"0.753260605","UNCO-05152":"0.940792825","UNCO-05153":"1.068154904","UNCO-05154":"1.074006798","UNCO-05155":"1","UNCO-05156":"1.114048836","UNCO-05157":"0.604269789","UNCO-05158":"0.881564234","UNCO-05159":"1.266433806","UNCO-05160":"1.064915806","UNCO-05161":"1.068494898","UNCO-05162":"0.584116867","UNCO-05163":"0.906407107","UNCO-05164":"1.006181469","UNCO-05165":"1.211108888","UNCO-05166":"0.629484202","UNCO-05167":"1.013805905","UNCO-05168":"0.877861416","UNCO-05169":"0.934992448","UNCO-05170":"1.129790732","UNCO-05171":"0.551168834","UNCO-05173":"1.264155866","UNCO-05174":"1.076114631","UNCO-05175":"1.103821082","UNCO-05176":"0.599217196","UNCO-05177":"0.656922072","UNCO-05178":"1.265192273","UNCO-05179":"0.344888022","UNCO-05180":"0.980968792","UNCO-05181":"1.027283755","UNCO-05182":"0.694214853"},{"Metabolite":"threonate","UNCO-05151":"0.359874683","UNCO-05152":"0.280833871","UNCO-05153":"0.86785241","UNCO-05154":"0.541271495","UNCO-05155":"1.464422872","UNCO-05156":"2.039114513","UNCO-05157":"0.371311824","UNCO-05158":"1.392434647","UNCO-05159":"0.816695443","UNCO-05160":"0.476109728","UNCO-05161":"0.533229619","UNCO-05162":"2.467576232","UNCO-05163":"0.538495633","UNCO-05164":"1.492246349","UNCO-05165":"1.516313199","UNCO-05166":"0.745762099","UNCO-05167":"1","UNCO-05168":"1.526196877","UNCO-05169":"0.541337424","UNCO-05170":"2.195793029","UNCO-05171":"1.115183638","UNCO-05173":"2.133015579","UNCO-05174":"3.54856349","UNCO-05175":"2.388464844","UNCO-05176":"0.744356187","UNCO-05177":"0.453396719","UNCO-05178":"3.708641842","UNCO-05179":"0.546747545","UNCO-05180":"2.367828223","UNCO-05181":"3.33096988","UNCO-05182":"0.309449133"},{"Metabolite":"galactonate","UNCO-05151":"0.83456568","UNCO-05152":"0.705803561","UNCO-05153":"0.734980529","UNCO-05154":"0.755928541","UNCO-05155":"1.363450895","UNCO-05156":"0.780420413","UNCO-05157":"0.812267357","UNCO-05158":"0.420865048","UNCO-05159":"1.012312602","UNCO-05160":"0.80682059","UNCO-05161":"1.006220929","UNCO-05162":"1.378294689","UNCO-05163":"0.552463505","UNCO-05164":"0.486325283","UNCO-05165":"0.828670592","UNCO-05166":"1.194711591","UNCO-05167":"1","UNCO-05168":"1.292751276","UNCO-05169":"1.284352042","UNCO-05170":"1.39871673","UNCO-05171":"1.215896626","UNCO-05173":"1.324078812","UNCO-05174":"1.388818926","UNCO-05175":"1.279397582","UNCO-05176":"0.859673452","UNCO-05177":"0.588121238","UNCO-05178":"1.196713054","UNCO-05179":"0.327868376","UNCO-05180":"1.43201593","UNCO-05181":"1.313249378","UNCO-05182":"0.737593658"},{"Metabolite":"2-hydroxyadipate","UNCO-05151":"3.44763268","UNCO-05152":"1.003511133","UNCO-05153":"0.451432052","UNCO-05154":"4.055824561","UNCO-05155":"1.056241814","UNCO-05156":"1.486549095","UNCO-05157":"1.246430893","UNCO-05158":"NA","UNCO-05159":"5.915019156","UNCO-05160":"1.150200543","UNCO-05161":"0.823911794","UNCO-05162":"1.46632742","UNCO-05163":"0.720974364","UNCO-05164":"4.783697076","UNCO-05165":"1","UNCO-05166":"0.426167411","UNCO-05167":"0.502586807","UNCO-05168":"0.730491983","UNCO-05169":"0.477032293","UNCO-05170":"0.79000405","UNCO-05171":"NA","UNCO-05173":"0.434903599","UNCO-05174":"0.543480071","UNCO-05175":"6.042765597","UNCO-05176":"5.315435266","UNCO-05177":"NA","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"NA","UNCO-05181":"0.975035846","UNCO-05182":"0.561442373"},{"Metabolite":"N-acetylglutamine","UNCO-05151":"0.853534983","UNCO-05152":"0.898446895","UNCO-05153":"0.777585051","UNCO-05154":"0.8384685","UNCO-05155":"1.315189384","UNCO-05156":"1.278933902","UNCO-05157":"0.576625561","UNCO-05158":"0.75523056","UNCO-05159":"0.899554578","UNCO-05160":"1.588198279","UNCO-05161":"0.975381065","UNCO-05162":"0.805804936","UNCO-05163":"0.724148884","UNCO-05164":"1","UNCO-05165":"1.369569747","UNCO-05166":"1.001651439","UNCO-05167":"1.431362466","UNCO-05168":"1.014196353","UNCO-05169":"1.100145844","UNCO-05170":"1.215494863","UNCO-05171":"1.15234697","UNCO-05173":"0.902642483","UNCO-05174":"0.788213273","UNCO-05175":"1.181229237","UNCO-05176":"1.116518424","UNCO-05177":"0.7473723","UNCO-05178":"1.010948272","UNCO-05179":"0.152872661","UNCO-05180":"0.87431451","UNCO-05181":"1.177269998","UNCO-05182":"1.343668501"},{"Metabolite":"N-acetylasparagine","UNCO-05151":"0.947308725","UNCO-05152":"0.789101225","UNCO-05153":"0.676997071","UNCO-05154":"0.755161039","UNCO-05155":"1.354050854","UNCO-05156":"0.967357416","UNCO-05157":"0.953690064","UNCO-05158":"0.439178123","UNCO-05159":"0.893784339","UNCO-05160":"1.182867335","UNCO-05161":"1.051557055","UNCO-05162":"1.174630737","UNCO-05163":"0.767867005","UNCO-05164":"0.47096329","UNCO-05165":"0.954438109","UNCO-05166":"1.016150484","UNCO-05167":"1.345328161","UNCO-05168":"0.79505318","UNCO-05169":"0.797148787","UNCO-05170":"0.983849516","UNCO-05171":"1.757584759","UNCO-05173":"1.305827596","UNCO-05174":"1.255592448","UNCO-05175":"1.256651053","UNCO-05176":"1.337726186","UNCO-05177":"0.764488649","UNCO-05178":"1.172202966","UNCO-05179":"NA","UNCO-05180":"1.039801674","UNCO-05181":"1.998860379","UNCO-05182":"1.470000554"},{"Metabolite":"alpha-hydroxyisovalerate","UNCO-05151":"1.0113761","UNCO-05152":"1.823503474","UNCO-05153":"0.999284509","UNCO-05154":"1.172089683","UNCO-05155":"0.881649605","UNCO-05156":"0.90183725","UNCO-05157":"3.127654924","UNCO-05158":"0.43635598","UNCO-05159":"1.371837613","UNCO-05160":"1","UNCO-05161":"1.169388465","UNCO-05162":"0.712916368","UNCO-05163":"1.543302022","UNCO-05164":"0.847302551","UNCO-05165":"0.676718666","UNCO-05166":"0.808589407","UNCO-05167":"1.603336795","UNCO-05168":"1.519756434","UNCO-05169":"1.563602651","UNCO-05170":"1.483183486","UNCO-05171":"0.876004389","UNCO-05173":"0.720105815","UNCO-05174":"0.546887019","UNCO-05175":"1.121965583","UNCO-05176":"1.271964425","UNCO-05177":"1.269066138","UNCO-05178":"0.835683524","UNCO-05179":"0.22324417","UNCO-05180":"0.814290073","UNCO-05181":"0.608495275","UNCO-05182":"2.013977418"},{"Metabolite":"erythronate*","UNCO-05151":"0.967660913","UNCO-05152":"1.34003539","UNCO-05153":"1.275402071","UNCO-05154":"1.368942135","UNCO-05155":"1","UNCO-05156":"1.075863493","UNCO-05157":"0.635364614","UNCO-05158":"0.761650591","UNCO-05159":"1.530009436","UNCO-05160":"1.327334918","UNCO-05161":"1.197652885","UNCO-05162":"0.888287223","UNCO-05163":"1.175530297","UNCO-05164":"1.030998043","UNCO-05165":"1.443366806","UNCO-05166":"0.780755852","UNCO-05167":"0.705229816","UNCO-05168":"0.949675509","UNCO-05169":"1.084029943","UNCO-05170":"1.150915704","UNCO-05171":"0.916522576","UNCO-05173":"0.784775146","UNCO-05174":"0.842951155","UNCO-05175":"1.114507826","UNCO-05176":"0.859253101","UNCO-05177":"0.807242807","UNCO-05178":"0.856169071","UNCO-05179":"0.269747058","UNCO-05180":"0.937948072","UNCO-05181":"1.08134659","UNCO-05182":"1.12154415"},{"Metabolite":"orotidine","UNCO-05151":"0.845322955","UNCO-05152":"1.058193266","UNCO-05153":"1.136682552","UNCO-05154":"0.870270422","UNCO-05155":"0.863732619","UNCO-05156":"1.490991801","UNCO-05157":"0.790052189","UNCO-05158":"0.735390681","UNCO-05159":"1.207028876","UNCO-05160":"1.212976778","UNCO-05161":"0.942933555","UNCO-05162":"1","UNCO-05163":"1.10937192","UNCO-05164":"0.783799149","UNCO-05165":"1.179382541","UNCO-05166":"0.68011635","UNCO-05167":"0.682590567","UNCO-05168":"1.728178926","UNCO-05169":"0.792296662","UNCO-05170":"1.162018191","UNCO-05171":"0.961860273","UNCO-05173":"1.016529422","UNCO-05174":"0.993797391","UNCO-05175":"1.283242106","UNCO-05176":"1.093223029","UNCO-05177":"0.883000135","UNCO-05178":"0.95162821","UNCO-05179":"0.271903089","UNCO-05180":"1.154817643","UNCO-05181":"1.355469182","UNCO-05182":"1.189993607"},{"Metabolite":"gulonate*","UNCO-05151":"0.252655919","UNCO-05152":"0.823719784","UNCO-05153":"0.401125943","UNCO-05154":"0.417106792","UNCO-05155":"0.798832585","UNCO-05156":"1.946056041","UNCO-05157":"0.390577231","UNCO-05158":"1.09753302","UNCO-05159":"1.439390369","UNCO-05160":"0.481416214","UNCO-05161":"0.440133712","UNCO-05162":"1.038340792","UNCO-05163":"0.4793201","UNCO-05164":"1.200238275","UNCO-05165":"1.011149136","UNCO-05166":"1.420249942","UNCO-05167":"1","UNCO-05168":"0.952556611","UNCO-05169":"1.071998587","UNCO-05170":"1.385443962","UNCO-05171":"2.358920085","UNCO-05173":"1.819222664","UNCO-05174":"3.148539507","UNCO-05175":"0.916334962","UNCO-05176":"0.621027195","UNCO-05177":"0.526810449","UNCO-05178":"2.59844441","UNCO-05179":"0.646789165","UNCO-05180":"1.640076598","UNCO-05181":"2.40924069","UNCO-05182":"0.353398799"},{"Metabolite":"cholesterol sulfate","UNCO-05151":"1.229014965","UNCO-05152":"0.747139188","UNCO-05153":"1.189749109","UNCO-05154":"1.143121474","UNCO-05155":"1.159394259","UNCO-05156":"0.742732592","UNCO-05157":"1.100094612","UNCO-05158":"0.874442491","UNCO-05159":"0.990774116","UNCO-05160":"1.147547447","UNCO-05161":"1.004451871","UNCO-05162":"1.639528714","UNCO-05163":"0.863657689","UNCO-05164":"0.932451517","UNCO-05165":"0.792068538","UNCO-05166":"1.432374568","UNCO-05167":"1.419163539","UNCO-05168":"1.619222154","UNCO-05169":"0.848306616","UNCO-05170":"1.533317857","UNCO-05171":"0.853423268","UNCO-05173":"1.274668904","UNCO-05174":"0.82213385","UNCO-05175":"1.210209007","UNCO-05176":"1.548206862","UNCO-05177":"0.832066436","UNCO-05178":"0.943875762","UNCO-05179":"0.282226502","UNCO-05180":"1","UNCO-05181":"0.940250396","UNCO-05182":"0.880863738"},{"Metabolite":"glycerophosphoglycerol","UNCO-05151":"1.1795649","UNCO-05152":"1.169175499","UNCO-05153":"1.422294469","UNCO-05154":"0.680649869","UNCO-05155":"0.828873327","UNCO-05156":"1.058516248","UNCO-05157":"0.972467331","UNCO-05158":"1.098189695","UNCO-05159":"1.297528092","UNCO-05160":"0.977536842","UNCO-05161":"0.631854083","UNCO-05162":"1.8618751","UNCO-05163":"2.105469609","UNCO-05164":"1.022139437","UNCO-05165":"1.12975243","UNCO-05166":"0.610635225","UNCO-05167":"1","UNCO-05168":"0.822412829","UNCO-05169":"0.604571791","UNCO-05170":"1.254502368","UNCO-05171":"0.432242547","UNCO-05173":"1.021392099","UNCO-05174":"0.726635863","UNCO-05175":"1.339435968","UNCO-05176":"0.676779134","UNCO-05177":"0.335630989","UNCO-05178":"1.024017268","UNCO-05179":"0.467416787","UNCO-05180":"1.381748495","UNCO-05181":"0.799691707","UNCO-05182":"0.417173112"},{"Metabolite":"glycerophosphoinositol*","UNCO-05151":"0.677687045","UNCO-05152":"1.177062125","UNCO-05153":"1","UNCO-05154":"0.458876734","UNCO-05155":"0.486421792","UNCO-05156":"0.545332091","UNCO-05157":"0.753759457","UNCO-05158":"0.774587177","UNCO-05159":"1.104968886","UNCO-05160":"1.46343887","UNCO-05161":"0.664530603","UNCO-05162":"0.519730247","UNCO-05163":"0.956993141","UNCO-05164":"0.80494548","UNCO-05165":"0.799292493","UNCO-05166":"1.035247252","UNCO-05167":"1.128901333","UNCO-05168":"1.823931564","UNCO-05169":"0.721334281","UNCO-05170":"1.902260753","UNCO-05171":"0.506445729","UNCO-05173":"2.1196799","UNCO-05174":"1.259644304","UNCO-05175":"3.93752567","UNCO-05176":"1.704993618","UNCO-05177":"0.547416629","UNCO-05178":"1.93872693","UNCO-05179":"8.359684493","UNCO-05180":"3.192722664","UNCO-05181":"2.429578367","UNCO-05182":"0.449301989"},{"Metabolite":"4-hydroxycinnamate","UNCO-05151":"0.368694097","UNCO-05152":"0.876523308","UNCO-05153":"0.245093486","UNCO-05154":"1.254490102","UNCO-05155":"1.768045254","UNCO-05156":"NA","UNCO-05157":"0.505286085","UNCO-05158":"NA","UNCO-05159":"0.597340993","UNCO-05160":"0.88924452","UNCO-05161":"0.332959716","UNCO-05162":"1.558769877","UNCO-05163":"0.688139968","UNCO-05164":"0.602849239","UNCO-05165":"0.580786114","UNCO-05166":"2.095752377","UNCO-05167":"1.090532159","UNCO-05168":"1.604838638","UNCO-05169":"0.919835713","UNCO-05170":"1.342617567","UNCO-05171":"1.555104784","UNCO-05173":"1.140174469","UNCO-05174":"1.209452882","UNCO-05175":"1.671261337","UNCO-05176":"2.283257121","UNCO-05177":"1","UNCO-05178":"0.909653161","UNCO-05179":"0.183994829","UNCO-05180":"0.382859911","UNCO-05181":"1.664130983","UNCO-05182":"2.330196662"},{"Metabolite":"N2-acetyllysine","UNCO-05151":"0.73234886","UNCO-05152":"0.914455744","UNCO-05153":"1.090004073","UNCO-05154":"NA","UNCO-05155":"1.597631557","UNCO-05156":"0.904394691","UNCO-05157":"NA","UNCO-05158":"0.699454835","UNCO-05159":"0.982043369","UNCO-05160":"1.443061395","UNCO-05161":"0.443192566","UNCO-05162":"1.748726835","UNCO-05163":"0.669874605","UNCO-05164":"0.821494568","UNCO-05165":"1.308116268","UNCO-05166":"0.731690703","UNCO-05167":"0.932727645","UNCO-05168":"1.840472952","UNCO-05169":"1.204532536","UNCO-05170":"1.625495056","UNCO-05171":"0.868881847","UNCO-05173":"1.130147027","UNCO-05174":"1.055089553","UNCO-05175":"1.410425109","UNCO-05176":"1.722221072","UNCO-05177":"0.732206183","UNCO-05178":"1.017956631","UNCO-05179":"NA","UNCO-05180":"0.904735276","UNCO-05181":"1.612157028","UNCO-05182":"0.465795415"},{"Metabolite":"3,4-dihydroxybutyrate","UNCO-05151":"0.948016603","UNCO-05152":"1.275967782","UNCO-05153":"1.398322057","UNCO-05154":"1.556233092","UNCO-05155":"1","UNCO-05156":"1.169843838","UNCO-05157":"0.747463003","UNCO-05158":"0.774704698","UNCO-05159":"1.498182468","UNCO-05160":"1.737169766","UNCO-05161":"1.546229982","UNCO-05162":"0.520643337","UNCO-05163":"0.955913805","UNCO-05164":"1.166060024","UNCO-05165":"1.416958929","UNCO-05166":"0.822132882","UNCO-05167":"0.93961509","UNCO-05168":"1.110338709","UNCO-05169":"1.033554627","UNCO-05170":"1.19872252","UNCO-05171":"0.9464539","UNCO-05173":"0.675055707","UNCO-05174":"0.741221036","UNCO-05175":"1.079159473","UNCO-05176":"1.050035639","UNCO-05177":"1.203080321","UNCO-05178":"0.449796533","UNCO-05179":"0.155215288","UNCO-05180":"0.903788478","UNCO-05181":"0.791850569","UNCO-05182":"0.997638987"},{"Metabolite":"mannitol/sorbitol","UNCO-05151":"0.638268319","UNCO-05152":"0.889090642","UNCO-05153":"0.960064751","UNCO-05154":"1.044308846","UNCO-05155":"0.790998118","UNCO-05156":"1.188613651","UNCO-05157":"1.811691555","UNCO-05158":"0.579080121","UNCO-05159":"1.615987022","UNCO-05160":"0.801822711","UNCO-05161":"0.891340565","UNCO-05162":"1","UNCO-05163":"0.862150992","UNCO-05164":"0.669895413","UNCO-05165":"0.945061455","UNCO-05166":"0.514332832","UNCO-05167":"1.192653528","UNCO-05168":"2.614501218","UNCO-05169":"1.551908422","UNCO-05170":"2.487767033","UNCO-05171":"0.983743813","UNCO-05173":"1.755528345","UNCO-05174":"2.344206858","UNCO-05175":"0.93438548","UNCO-05176":"1.613162209","UNCO-05177":"1.509435901","UNCO-05178":"1.962013116","UNCO-05179":"0.524407707","UNCO-05180":"1.536679029","UNCO-05181":"2.111430484","UNCO-05182":"0.552171769"},{"Metabolite":"3-methyladipate","UNCO-05151":"1.252851561","UNCO-05152":"1.920424281","UNCO-05153":"2.790260436","UNCO-05154":"1.200681687","UNCO-05155":"1.789275123","UNCO-05156":"5.444743369","UNCO-05157":"0.411024049","UNCO-05158":"2.159067142","UNCO-05159":"1.717841156","UNCO-05160":"1.796639122","UNCO-05161":"2.024278929","UNCO-05162":"2.025759681","UNCO-05163":"1.976059847","UNCO-05164":"2.686682535","UNCO-05165":"2.859542462","UNCO-05166":"0.484304583","UNCO-05167":"0.90416225","UNCO-05168":"1.024635995","UNCO-05169":"0.638816543","UNCO-05170":"0.927286478","UNCO-05171":"0.526799468","UNCO-05173":"0.652262601","UNCO-05174":"0.564540358","UNCO-05175":"0.762291555","UNCO-05176":"0.619501554","UNCO-05177":"0.609677058","UNCO-05178":"0.725780119","UNCO-05179":"NA","UNCO-05180":"0.803140276","UNCO-05181":"0.975364005","UNCO-05182":"0.907515016"},{"Metabolite":"N-acetylserine","UNCO-05151":"0.87800268","UNCO-05152":"0.83714206","UNCO-05153":"0.992268914","UNCO-05154":"0.860948759","UNCO-05155":"0.962143506","UNCO-05156":"0.932686795","UNCO-05157":"2.136590678","UNCO-05158":"0.666027836","UNCO-05159":"1.342481782","UNCO-05160":"0.96476576","UNCO-05161":"1.163657555","UNCO-05162":"0.914351416","UNCO-05163":"0.998747445","UNCO-05164":"0.678172022","UNCO-05165":"0.931899252","UNCO-05166":"1.055077717","UNCO-05167":"1.149830658","UNCO-05168":"1.216778145","UNCO-05169":"1.178271995","UNCO-05170":"1.612767998","UNCO-05171":"1.350627552","UNCO-05173":"1.024986653","UNCO-05174":"1.507803685","UNCO-05175":"1.235182213","UNCO-05176":"1.229381051","UNCO-05177":"1","UNCO-05178":"1.254276062","UNCO-05179":"0.349385709","UNCO-05180":"0.984948092","UNCO-05181":"1.506506925","UNCO-05182":"0.994848493"},{"Metabolite":"chiro-inositol","UNCO-05151":"1.237184397","UNCO-05152":"1.469435085","UNCO-05153":"1.181020973","UNCO-05154":"1.382941029","UNCO-05155":"1.385799133","UNCO-05156":"0.508420648","UNCO-05157":"1.089513718","UNCO-05158":"0.471228809","UNCO-05159":"1.266300045","UNCO-05160":"1.069063712","UNCO-05161":"1.181688305","UNCO-05162":"1.65304404","UNCO-05163":"0.733183389","UNCO-05164":"0.609855563","UNCO-05165":"0.877595291","UNCO-05166":"0.67226215","UNCO-05167":"0.802121463","UNCO-05168":"1.27455527","UNCO-05169":"1.699028045","UNCO-05170":"1.554571042","UNCO-05171":"0.67262795","UNCO-05173":"0.928585085","UNCO-05174":"1.133559272","UNCO-05175":"0.836467277","UNCO-05176":"0.941129963","UNCO-05177":"0.499840858","UNCO-05178":"0.862905305","UNCO-05179":"0.224389532","UNCO-05180":"0.734598508","UNCO-05181":"1","UNCO-05182":"1.902348239"},{"Metabolite":"pinitol","UNCO-05151":"0.746487393","UNCO-05152":"1.140604914","UNCO-05153":"NA","UNCO-05154":"2.122423136","UNCO-05155":"0.990051523","UNCO-05156":"0.598735721","UNCO-05157":"0.88051539","UNCO-05158":"NA","UNCO-05159":"0.720627458","UNCO-05160":"1.412968635","UNCO-05161":"NA","UNCO-05162":"1.009948477","UNCO-05163":"0.379251903","UNCO-05164":"0.459086196","UNCO-05165":"NA","UNCO-05166":"1.256352768","UNCO-05167":"0.685555092","UNCO-05168":"0.849522362","UNCO-05169":"0.983726739","UNCO-05170":"1.607028945","UNCO-05171":"1.187153248","UNCO-05173":"1.246206429","UNCO-05174":"1.625693505","UNCO-05175":"0.61849926","UNCO-05176":"1.406037829","UNCO-05177":"0.633604573","UNCO-05178":"1.422395888","UNCO-05179":"NA","UNCO-05180":"0.822855153","UNCO-05181":"1.576626111","UNCO-05182":"2.920184927"},{"Metabolite":"2-hydroxyglutarate","UNCO-05151":"0.769331682","UNCO-05152":"1.727900092","UNCO-05153":"1.095373062","UNCO-05154":"1.205686203","UNCO-05155":"1.695706324","UNCO-05156":"1.412092301","UNCO-05157":"1.421113587","UNCO-05158":"0.544653327","UNCO-05159":"1.364422639","UNCO-05160":"1.466492926","UNCO-05161":"1.066256637","UNCO-05162":"1.906622317","UNCO-05163":"1.126865126","UNCO-05164":"1.065745772","UNCO-05165":"1.670849288","UNCO-05166":"0.483206389","UNCO-05167":"1.069352905","UNCO-05168":"1.01517286","UNCO-05169":"0.733940253","UNCO-05170":"0.835860895","UNCO-05171":"0.414018059","UNCO-05173":"0.672962021","UNCO-05174":"0.704734551","UNCO-05175":"0.810926947","UNCO-05176":"0.604132033","UNCO-05177":"0.555456284","UNCO-05178":"1","UNCO-05179":"0.232538851","UNCO-05180":"0.651092035","UNCO-05181":"0.786492864","UNCO-05182":"0.848996668"},{"Metabolite":"2S,3R-dihydroxybutyrate","UNCO-05151":"1.170770553","UNCO-05152":"3.384665598","UNCO-05153":"3.793116806","UNCO-05154":"2.251993536","UNCO-05155":"0.91747216","UNCO-05156":"1.754320725","UNCO-05157":"0.947074365","UNCO-05158":"0.93876607","UNCO-05159":"1.0521212","UNCO-05160":"1.62799344","UNCO-05161":"1.223692517","UNCO-05162":"0.963700284","UNCO-05163":"1.709433326","UNCO-05164":"1.293345793","UNCO-05165":"1.230228881","UNCO-05166":"0.785660672","UNCO-05167":"1.068932358","UNCO-05168":"0.894906511","UNCO-05169":"1","UNCO-05170":"0.91847193","UNCO-05171":"0.981306165","UNCO-05173":"0.674772004","UNCO-05174":"0.822101038","UNCO-05175":"1.279747176","UNCO-05176":"1.02318194","UNCO-05177":"0.851227296","UNCO-05178":"0.987983027","UNCO-05179":"0.365608092","UNCO-05180":"0.880341393","UNCO-05181":"0.893882955","UNCO-05182":"2.231063297"},{"Metabolite":"2,4-dihydroxybutyrate","UNCO-05151":"0.851567628","UNCO-05152":"0.85888013","UNCO-05153":"0.753220411","UNCO-05154":"0.76763549","UNCO-05155":"0.868464278","UNCO-05156":"0.762467374","UNCO-05157":"0.866694","UNCO-05158":"0.668408402","UNCO-05159":"1.208788112","UNCO-05160":"1.002905899","UNCO-05161":"1.008078756","UNCO-05162":"1.129128385","UNCO-05163":"0.835832343","UNCO-05164":"1.040632091","UNCO-05165":"0.899819808","UNCO-05166":"1.058659342","UNCO-05167":"0.985214163","UNCO-05168":"1.37511583","UNCO-05169":"1.445415618","UNCO-05170":"0.997094101","UNCO-05171":"0.898888595","UNCO-05173":"1.223271736","UNCO-05174":"0.839990723","UNCO-05175":"1.330124684","UNCO-05176":"1.259700797","UNCO-05177":"1.130258097","UNCO-05178":"1.285968962","UNCO-05179":"NA","UNCO-05180":"1.519469107","UNCO-05181":"0.893547762","UNCO-05182":"1.840404379"},{"Metabolite":"2R,3R-dihydroxybutyrate","UNCO-05151":"1.033949903","UNCO-05152":"1.145295884","UNCO-05153":"1.429373433","UNCO-05154":"1.151478565","UNCO-05155":"0.97959988","UNCO-05156":"1.349522121","UNCO-05157":"0.665793034","UNCO-05158":"0.583707747","UNCO-05159":"0.997389893","UNCO-05160":"1","UNCO-05161":"0.836736268","UNCO-05162":"1.404765726","UNCO-05163":"1.327656483","UNCO-05164":"0.85155651","UNCO-05165":"1.225102775","UNCO-05166":"0.767147649","UNCO-05167":"0.910985437","UNCO-05168":"1.034110323","UNCO-05169":"1.377073662","UNCO-05170":"1.103215424","UNCO-05171":"0.761711996","UNCO-05173":"0.858080411","UNCO-05174":"0.704494205","UNCO-05175":"1.220676068","UNCO-05176":"0.89443441","UNCO-05177":"0.617939876","UNCO-05178":"1.033962528","UNCO-05179":"0.353804775","UNCO-05180":"1.025081201","UNCO-05181":"0.872658542","UNCO-05182":"1.36000227"},{"Metabolite":"alpha-ketoglutaramate*","UNCO-05151":"0.907493753","UNCO-05152":"1.657937799","UNCO-05153":"1.179078393","UNCO-05154":"2.04684422","UNCO-05155":"1.002311825","UNCO-05156":"0.947569377","UNCO-05157":"1.705223896","UNCO-05158":"0.639008139","UNCO-05159":"1.2398074","UNCO-05160":"1.540800761","UNCO-05161":"1.291281053","UNCO-05162":"0.799040593","UNCO-05163":"1.007067552","UNCO-05164":"1.165623297","UNCO-05165":"0.696310767","UNCO-05166":"0.575070954","UNCO-05167":"0.702697587","UNCO-05168":"1.108705543","UNCO-05169":"1.012491207","UNCO-05170":"0.948476366","UNCO-05171":"0.862397007","UNCO-05173":"0.755668293","UNCO-05174":"0.935823547","UNCO-05175":"1.379526321","UNCO-05176":"1.002206596","UNCO-05177":"0.966041155","UNCO-05178":"0.819366932","UNCO-05179":"NA","UNCO-05180":"0.991667641","UNCO-05181":"0.997793404","UNCO-05182":"1.00451016"},{"Metabolite":"2,3-dihydroxyisovalerate","UNCO-05151":"2.585565478","UNCO-05152":"0.6129673","UNCO-05153":"0.421910567","UNCO-05154":"0.843871156","UNCO-05155":"1.284372109","UNCO-05156":"1.848407945","UNCO-05157":"0.683860874","UNCO-05158":"0.316639978","UNCO-05159":"1.152394937","UNCO-05160":"0.650725538","UNCO-05161":"1.020353813","UNCO-05162":"1.276529449","UNCO-05163":"0.71454514","UNCO-05164":"1.146240987","UNCO-05165":"2.015249688","UNCO-05166":"0.890559871","UNCO-05167":"0.484887397","UNCO-05168":"0.741579714","UNCO-05169":"1.208670743","UNCO-05170":"1.373399539","UNCO-05171":"1.089996207","UNCO-05173":"1","UNCO-05174":"1.026702784","UNCO-05175":"0.912524512","UNCO-05176":"0.865676235","UNCO-05177":"0.625762754","UNCO-05178":"0.863060537","UNCO-05179":"0.343516888","UNCO-05180":"1.041953738","UNCO-05181":"1.186290097","UNCO-05182":"2.263537707"},{"Metabolite":"3-methylglutaconate","UNCO-05151":"0.768869867","UNCO-05152":"1.763764992","UNCO-05153":"1.391785197","UNCO-05154":"1.369661007","UNCO-05155":"0.811065808","UNCO-05156":"1.719557482","UNCO-05157":"1.032061463","UNCO-05158":"0.832989727","UNCO-05159":"1.439828857","UNCO-05160":"1.747365564","UNCO-05161":"1.065035046","UNCO-05162":"0.879369227","UNCO-05163":"1.62754371","UNCO-05164":"2.160864191","UNCO-05165":"1.471716955","UNCO-05166":"0.748773594","UNCO-05167":"0.757559306","UNCO-05168":"1.297987035","UNCO-05169":"0.858307701","UNCO-05170":"1.464171699","UNCO-05171":"0.54699513","UNCO-05173":"0.591998956","UNCO-05174":"0.744825388","UNCO-05175":"1.023438897","UNCO-05176":"0.997250697","UNCO-05177":"0.674813191","UNCO-05178":"1.028410939","UNCO-05179":"0.171145807","UNCO-05180":"0.792036967","UNCO-05181":"1","UNCO-05182":"0.93888455"},{"Metabolite":"hydantoin-5-propionate","UNCO-05151":"2.827858978","UNCO-05152":"5.14463862","UNCO-05153":"5.64062394","UNCO-05154":"2.361616217","UNCO-05155":"1.510944613","UNCO-05156":"0.64732376","UNCO-05157":"1.000987321","UNCO-05158":"0.588260515","UNCO-05159":"3.461877503","UNCO-05160":"1.940844317","UNCO-05161":"1.412993304","UNCO-05162":"0.370176607","UNCO-05163":"4.494065747","UNCO-05164":"0.999012679","UNCO-05165":"1.609569542","UNCO-05166":"0.458213401","UNCO-05167":"1.701759182","UNCO-05168":"0.831292968","UNCO-05169":"0.965361154","UNCO-05170":"0.817375083","UNCO-05171":"1.559873064","UNCO-05173":"0.169856612","UNCO-05174":"1.031143886","UNCO-05175":"0.982060059","UNCO-05176":"0.502625153","UNCO-05177":"0.463216877","UNCO-05178":"NA","UNCO-05179":"0.153846078","UNCO-05180":"0.414141901","UNCO-05181":"0.937211683","UNCO-05182":"3.611914921"},{"Metabolite":"4-hydroxy-2-oxoglutaric acid","UNCO-05151":"1.78687207","UNCO-05152":"1.243092212","UNCO-05153":"1.150594392","UNCO-05154":"1.081082742","UNCO-05155":"1.306037061","UNCO-05156":"1.179478391","UNCO-05157":"1.27365455","UNCO-05158":"1.28039155","UNCO-05159":"0.671988502","UNCO-05160":"1","UNCO-05161":"1.00353397","UNCO-05162":"1.072180448","UNCO-05163":"1.082779993","UNCO-05164":"1.537482537","UNCO-05165":"1.50234613","UNCO-05166":"0.939083343","UNCO-05167":"0.340532861","UNCO-05168":"0.410498372","UNCO-05169":"0.690031841","UNCO-05170":"NA","UNCO-05171":"0.831844496","UNCO-05173":"0.525202287","UNCO-05174":"0.242510702","UNCO-05175":"0.30537518","UNCO-05176":"0.227946964","UNCO-05177":"0.604006269","UNCO-05178":"0.707838794","UNCO-05179":"NA","UNCO-05180":"0.617546456","UNCO-05181":"0.487054324","UNCO-05182":"1.594092243"},{"Metabolite":"sedoheptulose","UNCO-05151":"0.667707512","UNCO-05152":"0.93814372","UNCO-05153":"1.530177405","UNCO-05154":"0.94094891","UNCO-05155":"NA","UNCO-05156":"0.901077079","UNCO-05157":"NA","UNCO-05158":"0.585296019","UNCO-05159":"1.819895892","UNCO-05160":"0.931640509","UNCO-05161":"1.1923444","UNCO-05162":"0.652325738","UNCO-05163":"1.26275361","UNCO-05164":"1.243916562","UNCO-05165":"0.841998754","UNCO-05166":"NA","UNCO-05167":"0.981955131","UNCO-05168":"14.84707865","UNCO-05169":"1.089978046","UNCO-05170":"2.712280315","UNCO-05171":"1.05325717","UNCO-05173":"0.71550587","UNCO-05174":"1","UNCO-05175":"1.715499949","UNCO-05176":"1.214441342","UNCO-05177":"NA","UNCO-05178":"0.976257125","UNCO-05179":"NA","UNCO-05180":"0.789079059","UNCO-05181":"1.140227541","UNCO-05182":"NA"},{"Metabolite":"2-O-methylascorbic acid","UNCO-05151":"0.683923029","UNCO-05152":"1.651765056","UNCO-05153":"1.583304952","UNCO-05154":"1.330151518","UNCO-05155":"1.351256425","UNCO-05156":"1.047677632","UNCO-05157":"0.448132557","UNCO-05158":"1.449310387","UNCO-05159":"1.236882747","UNCO-05160":"1.530089723","UNCO-05161":"0.87504041","UNCO-05162":"1.355986197","UNCO-05163":"0.980201785","UNCO-05164":"1","UNCO-05165":"1.344789589","UNCO-05166":"0.652723616","UNCO-05167":"0.447612177","UNCO-05168":"0.730321043","UNCO-05169":"0.82821935","UNCO-05170":"0.835479544","UNCO-05171":"1.058806306","UNCO-05173":"0.916477268","UNCO-05174":"1.216052048","UNCO-05175":"0.58981151","UNCO-05176":"0.740165661","UNCO-05177":"0.449359749","UNCO-05178":"1.142811285","UNCO-05179":"0.189645902","UNCO-05180":"0.833760824","UNCO-05181":"1.162768619","UNCO-05182":"1.641098161"},{"Metabolite":"mannonate*","UNCO-05151":"0.80413085","UNCO-05152":"1.04029319","UNCO-05153":"1.302392164","UNCO-05154":"1.373737098","UNCO-05155":"1.130216223","UNCO-05156":"1.007383748","UNCO-05157":"0.63286673","UNCO-05158":"0.872020238","UNCO-05159":"1.559277054","UNCO-05160":"1.204683474","UNCO-05161":"1.41627597","UNCO-05162":"1.233195068","UNCO-05163":"0.8658949","UNCO-05164":"0.799084229","UNCO-05165":"1.269600698","UNCO-05166":"0.643582403","UNCO-05167":"0.99920672","UNCO-05168":"1.114430785","UNCO-05169":"0.789143583","UNCO-05170":"1.265665157","UNCO-05171":"0.664108892","UNCO-05173":"0.908967956","UNCO-05174":"0.775808356","UNCO-05175":"1.816321128","UNCO-05176":"1","UNCO-05177":"0.672101711","UNCO-05178":"0.830465252","UNCO-05179":"0.489599023","UNCO-05180":"1.20001223","UNCO-05181":"1.068961897","UNCO-05182":"0.603389126"},{"Metabolite":"3-hydroxyadipate","UNCO-05151":"0.536600616","UNCO-05152":"1.365222766","UNCO-05153":"1.824008824","UNCO-05154":"2.058562746","UNCO-05155":"1.248129982","UNCO-05156":"6.518457699","UNCO-05157":"0.675473609","UNCO-05158":"1.213238835","UNCO-05159":"1.926979673","UNCO-05160":"1.480191372","UNCO-05161":"1.195573897","UNCO-05162":"1.393221669","UNCO-05163":"0.985387453","UNCO-05164":"3.376265467","UNCO-05165":"1.859975481","UNCO-05166":"0.645256014","UNCO-05167":"0.895373254","UNCO-05168":"1.115773886","UNCO-05169":"0.833209083","UNCO-05170":"2.410521413","UNCO-05171":"0.538392532","UNCO-05173":"0.618980453","UNCO-05174":"0.959655286","UNCO-05175":"1.927154488","UNCO-05176":"0.507032433","UNCO-05177":"0.679302633","UNCO-05178":"0.890668799","UNCO-05179":"0.181849864","UNCO-05180":"0.658477481","UNCO-05181":"1","UNCO-05182":"0.360856438"},{"Metabolite":"N-formylanthranilic acid","UNCO-05151":"0.722931456","UNCO-05152":"1.11021629","UNCO-05153":"0.615658929","UNCO-05154":"0.600919139","UNCO-05155":"1","UNCO-05156":"0.586237036","UNCO-05157":"0.638298281","UNCO-05158":"0.688878905","UNCO-05159":"0.933384261","UNCO-05160":"0.719739467","UNCO-05161":"0.715704904","UNCO-05162":"0.935586838","UNCO-05163":"0.82792449","UNCO-05164":"0.654287947","UNCO-05165":"0.714383357","UNCO-05166":"1.262431891","UNCO-05167":"1.449245442","UNCO-05168":"1.90942511","UNCO-05169":"1.817600344","UNCO-05170":"1.500023599","UNCO-05171":"1.19868125","UNCO-05173":"1.356247717","UNCO-05174":"1.452374501","UNCO-05175":"1.400073769","UNCO-05176":"1.680995076","UNCO-05177":"1.246309371","UNCO-05178":"1.359780581","UNCO-05179":"0.715865727","UNCO-05180":"1.243085916","UNCO-05181":"1.430831193","UNCO-05182":"0.925961923"},{"Metabolite":"2-keto-3-deoxy-gluconate","UNCO-05151":"0.638398965","UNCO-05152":"0.596499781","UNCO-05153":"1.112625084","UNCO-05154":"0.601718011","UNCO-05155":"0.92328229","UNCO-05156":"1.367012661","UNCO-05157":"0.679898771","UNCO-05158":"1.116367105","UNCO-05159":"0.972856621","UNCO-05160":"0.830908172","UNCO-05161":"0.963379124","UNCO-05162":"1.027143379","UNCO-05163":"1.180985044","UNCO-05164":"1.551870753","UNCO-05165":"1.501754001","UNCO-05166":"0.697544628","UNCO-05167":"1.216870675","UNCO-05168":"26.4658369","UNCO-05169":"0.347844247","UNCO-05170":"1.134008385","UNCO-05171":"0.302214486","UNCO-05173":"2.082752433","UNCO-05174":"1.877534089","UNCO-05175":"2.734634115","UNCO-05176":"1.613925351","UNCO-05177":"0.261794945","UNCO-05178":"0.893840486","UNCO-05179":"NA","UNCO-05180":"0.905083712","UNCO-05181":"1.329396774","UNCO-05182":"0.190717158"},{"Metabolite":"arabonate/xylonate","UNCO-05151":"0.803226539","UNCO-05152":"1.044794794","UNCO-05153":"1.262252403","UNCO-05154":"1.033454503","UNCO-05155":"1","UNCO-05156":"1.133512354","UNCO-05157":"0.578176321","UNCO-05158":"0.935120774","UNCO-05159":"1.417738646","UNCO-05160":"1.088124191","UNCO-05161":"0.849240699","UNCO-05162":"1.130793188","UNCO-05163":"1.016353211","UNCO-05164":"1.112444559","UNCO-05165":"1.020360677","UNCO-05166":"0.775110544","UNCO-05167":"0.933264876","UNCO-05168":"0.996529494","UNCO-05169":"0.81181288","UNCO-05170":"1.209838383","UNCO-05171":"1.154113012","UNCO-05173":"0.939031631","UNCO-05174":"0.993331468","UNCO-05175":"1.131031475","UNCO-05176":"1.013302025","UNCO-05177":"0.8052757","UNCO-05178":"1.028592316","UNCO-05179":"0.362669485","UNCO-05180":"0.970185821","UNCO-05181":"0.982280837","UNCO-05182":"0.608124517"},{"Metabolite":"ribulose/xylulose","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"0.799091241","UNCO-05155":"NA","UNCO-05156":"0.796145985","UNCO-05157":"NA","UNCO-05158":"NA","UNCO-05159":"1.353160584","UNCO-05160":"0.651875912","UNCO-05161":"NA","UNCO-05162":"NA","UNCO-05163":"0.830543796","UNCO-05164":"0.735160584","UNCO-05165":"NA","UNCO-05166":"0.858543796","UNCO-05167":"NA","UNCO-05168":"5.026883212","UNCO-05169":"0.781682482","UNCO-05170":"1","UNCO-05171":"1.12299635","UNCO-05173":"1.652532847","UNCO-05174":"1.540091241","UNCO-05175":"1.237959854","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"1.131441606","UNCO-05179":"NA","UNCO-05180":"1.455788321","UNCO-05181":"0.91029562","UNCO-05182":"NA"},{"Metabolite":"arabitol/xylitol","UNCO-05151":"0.655374771","UNCO-05152":"0.946956547","UNCO-05153":"0.611391226","UNCO-05154":"1.005015527","UNCO-05155":"0.699182283","UNCO-05156":"0.792224438","UNCO-05157":"0.633243306","UNCO-05158":"0.46656749","UNCO-05159":"1.522234173","UNCO-05160":"0.940804149","UNCO-05161":"0.739517844","UNCO-05162":"0.710527788","UNCO-05163":"0.944800076","UNCO-05164":"0.619290295","UNCO-05165":"0.669281648","UNCO-05166":"1.499283367","UNCO-05167":"1.274871513","UNCO-05168":"1.357639053","UNCO-05169":"1","UNCO-05170":"1.283965184","UNCO-05171":"1.189045944","UNCO-05173":"1.22914877","UNCO-05174":"1.850700692","UNCO-05175":"1.338959435","UNCO-05176":"1.050840075","UNCO-05177":"0.982554934","UNCO-05178":"1.743069951","UNCO-05179":"0.433665271","UNCO-05180":"1.596718876","UNCO-05181":"1.573504408","UNCO-05182":"1.05749686"},{"Metabolite":"2-hydroxybutyrate/2-hydroxyisobutyrate","UNCO-05151":"1.525170792","UNCO-05152":"2.930323065","UNCO-05153":"3.150118498","UNCO-05154":"1.993734996","UNCO-05155":"1.159058312","UNCO-05156":"1.491310889","UNCO-05157":"1.484255451","UNCO-05158":"0.553909947","UNCO-05159":"1.105138956","UNCO-05160":"1.895909874","UNCO-05161":"1.287260457","UNCO-05162":"1.03784793","UNCO-05163":"1.729107701","UNCO-05164":"1.456389221","UNCO-05165":"0.798117636","UNCO-05166":"0.622542934","UNCO-05167":"1.248686871","UNCO-05168":"0.744627736","UNCO-05169":"1","UNCO-05170":"0.853000042","UNCO-05171":"0.580496492","UNCO-05173":"0.440575249","UNCO-05174":"0.332801042","UNCO-05175":"0.654311728","UNCO-05176":"0.508150513","UNCO-05177":"0.863385167","UNCO-05178":"0.590351631","UNCO-05179":"0.136402985","UNCO-05180":"0.595275532","UNCO-05181":"0.34794537","UNCO-05182":"1.632951446"},{"Metabolite":"isocitric lactone","UNCO-05151":"0.606785774","UNCO-05152":"2.010827234","UNCO-05153":"1.082183875","UNCO-05154":"2.074910344","UNCO-05155":"0.629907963","UNCO-05156":"1.065550833","UNCO-05157":"0.620887552","UNCO-05158":"0.420559755","UNCO-05159":"1.537098945","UNCO-05160":"1.43067111","UNCO-05161":"0.980839119","UNCO-05162":"0.416069245","UNCO-05163":"1.453512429","UNCO-05164":"0.909331767","UNCO-05165":"0.798815889","UNCO-05166":"0.583644746","UNCO-05167":"1.463700852","UNCO-05168":"1.470739752","UNCO-05169":"0.923484924","UNCO-05170":"1.402179833","UNCO-05171":"0.597674594","UNCO-05173":"0.493781448","UNCO-05174":"1.106655615","UNCO-05175":"1.644014879","UNCO-05176":"1.256616738","UNCO-05177":"1","UNCO-05178":"1.074728805","UNCO-05179":"0.498444934","UNCO-05180":"0.562379046","UNCO-05181":"1.312729278","UNCO-05182":"0.865437114"},{"Metabolite":"3-carboxyadipate","UNCO-05151":"1.236124306","UNCO-05152":"1.08852283","UNCO-05153":"NA","UNCO-05154":"1.27211004","UNCO-05155":"0.934587141","UNCO-05156":"0.910464115","UNCO-05157":"1.131543517","UNCO-05158":"1","UNCO-05159":"1.004693905","UNCO-05160":"0.863913486","UNCO-05161":"0.936639494","UNCO-05162":"0.812423562","UNCO-05163":"1.093212799","UNCO-05164":"1.179731829","UNCO-05165":"1.197931375","UNCO-05166":"NA","UNCO-05167":"1.11150289","UNCO-05168":"0.8862886","UNCO-05169":"0.800118627","UNCO-05170":"0.728319065","UNCO-05171":"NA","UNCO-05173":"NA","UNCO-05174":"0.893180518","UNCO-05175":"0.937655173","UNCO-05176":"1.077909382","UNCO-05177":"1.162009942","UNCO-05178":"0.654015736","UNCO-05179":"0.963772813","UNCO-05180":"1.027019154","UNCO-05181":"0.858228835","UNCO-05182":"1.382878071"},{"Metabolite":"ascorbic acid 2-sulfate","UNCO-05151":"0.592360231","UNCO-05152":"0.920470482","UNCO-05153":"1.26939103","UNCO-05154":"0.978916637","UNCO-05155":"3.228882926","UNCO-05156":"3.718907603","UNCO-05157":"0.824085062","UNCO-05158":"3.399724237","UNCO-05159":"1.446172362","UNCO-05160":"0.805685159","UNCO-05161":"0.760002292","UNCO-05162":"4.32390976","UNCO-05163":"1.321603873","UNCO-05164":"3.039972087","UNCO-05165":"3.405526039","UNCO-05166":"0.836271879","UNCO-05167":"0.794499582","UNCO-05168":"0.661873972","UNCO-05169":"0.813782734","UNCO-05170":"0.861380431","UNCO-05171":"1.900482753","UNCO-05173":"3.155890126","UNCO-05174":"3.246207422","UNCO-05175":"1","UNCO-05176":"0.796441382","UNCO-05177":"0.506149033","UNCO-05178":"4.775624343","UNCO-05179":"0.72940883","UNCO-05180":"2.416920629","UNCO-05181":"3.796869522","UNCO-05182":"0.660552469"},{"Metabolite":"caffeic acid sulfate","UNCO-05151":"0.4634313","UNCO-05152":"0.14702378","UNCO-05153":"NA","UNCO-05154":"0.43679011","UNCO-05155":"1","UNCO-05156":"0.310876948","UNCO-05157":"0.540408984","UNCO-05158":"NA","UNCO-05159":"0.586847339","UNCO-05160":"0.26837895","UNCO-05161":"0.332597383","UNCO-05162":"0.881890933","UNCO-05163":"NA","UNCO-05164":"NA","UNCO-05165":"0.187132546","UNCO-05166":"1.408421105","UNCO-05167":"1.372509132","UNCO-05168":"1.918544069","UNCO-05169":"0.876602724","UNCO-05170":"1.102880839","UNCO-05171":"1.92859667","UNCO-05173":"1.845714706","UNCO-05174":"1.646700108","UNCO-05175":"1.65752358","UNCO-05176":"1.844784344","UNCO-05177":"1.033677541","UNCO-05178":"1.763315904","UNCO-05179":"0.273812577","UNCO-05180":"1.8383281","UNCO-05181":"3.573515799","UNCO-05182":"0.358140902"},{"Metabolite":"perfluorooctanesulfonate (PFOS)","UNCO-05151":"0.998494846","UNCO-05152":"0.521936852","UNCO-05153":"1.043765241","UNCO-05154":"1","UNCO-05155":"0.703822595","UNCO-05156":"0.604692583","UNCO-05157":"0.584581435","UNCO-05158":"0.331012697","UNCO-05159":"1.203752752","UNCO-05160":"1.033263307","UNCO-05161":"1.074670297","UNCO-05162":"0.571653689","UNCO-05163":"0.868179855","UNCO-05164":"0.575251232","UNCO-05165":"0.76062076","UNCO-05166":"0.920151593","UNCO-05167":"1.441917716","UNCO-05168":"1.300691955","UNCO-05169":"1.307010389","UNCO-05170":"1.313097106","UNCO-05171":"1.15162398","UNCO-05173":"0.870858018","UNCO-05174":"0.834631696","UNCO-05175":"1.286771788","UNCO-05176":"1.367549071","UNCO-05177":"1.110863204","UNCO-05178":"1.288589368","UNCO-05179":"0.190384213","UNCO-05180":"0.825696451","UNCO-05181":"1.00121245","UNCO-05182":"1.284976669"},{"Metabolite":"lyxonate","UNCO-05151":"0.69407627","UNCO-05152":"0.723302522","UNCO-05153":"0.836071386","UNCO-05154":"0.789505985","UNCO-05155":"1.145850771","UNCO-05156":"1.282260704","UNCO-05157":"0.819534835","UNCO-05158":"1.33190824","UNCO-05159":"1.238816219","UNCO-05160":"0.770094348","UNCO-05161":"0.953498727","UNCO-05162":"1.431582249","UNCO-05163":"0.809147945","UNCO-05164":"1.295786679","UNCO-05165":"1.482871854","UNCO-05166":"1","UNCO-05167":"0.969873682","UNCO-05168":"0.737304005","UNCO-05169":"0.973863455","UNCO-05170":"0.833561553","UNCO-05171":"1.418613323","UNCO-05173":"1.309102716","UNCO-05174":"1.412481776","UNCO-05175":"0.778676227","UNCO-05176":"1.065507895","UNCO-05177":"1.069348465","UNCO-05178":"1.258763622","UNCO-05179":"0.642810332","UNCO-05180":"1.167031191","UNCO-05181":"1.37584618","UNCO-05182":"0.459915922"},{"Metabolite":"heptenedioate (C7:1-DC)*","UNCO-05151":"0.490619628","UNCO-05152":"1.412307503","UNCO-05153":"2.497840503","UNCO-05154":"1.649341157","UNCO-05155":"1.00879021","UNCO-05156":"10.13895322","UNCO-05157":"0.427013829","UNCO-05158":"1.453617626","UNCO-05159":"2.487360146","UNCO-05160":"1.1530567","UNCO-05161":"2.130184756","UNCO-05162":"0.363882818","UNCO-05163":"1.456616156","UNCO-05164":"1.928876131","UNCO-05165":"2.94910473","UNCO-05166":"NA","UNCO-05167":"0.442257765","UNCO-05168":"0.598606566","UNCO-05169":"0.888295707","UNCO-05170":"0.781419022","UNCO-05171":"NA","UNCO-05173":"0.300761472","UNCO-05174":"0.45576323","UNCO-05175":"1.055797782","UNCO-05176":"NA","UNCO-05177":"0.99120979","UNCO-05178":"NA","UNCO-05179":"NA","UNCO-05180":"0.503280623","UNCO-05181":"0.712213633","UNCO-05182":"0.636922991"},{"Metabolite":"2,2''-methylenebis(6-tert-butyl-p-cresol)","UNCO-05151":"7.467262131","UNCO-05152":"0.721901963","UNCO-05153":"2.578523325","UNCO-05154":"8.999034995","UNCO-05155":"2.814896579","UNCO-05156":"0.365247011","UNCO-05157":"0.300278913","UNCO-05158":"0.272647472","UNCO-05159":"1.782690152","UNCO-05160":"0.965324336","UNCO-05161":"8.233443982","UNCO-05162":"5.737548033","UNCO-05163":"0.86282827","UNCO-05164":"1.034675664","UNCO-05165":"0.643410449","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":"0.895463142"},{"Metabolite":"ascorbic acid 3-sulfate*","UNCO-05151":"0.701628373","UNCO-05152":"0.879735106","UNCO-05153":"1.292559645","UNCO-05154":"0.992077553","UNCO-05155":"2.690100743","UNCO-05156":"3.012330057","UNCO-05157":"0.821806746","UNCO-05158":"3.282713591","UNCO-05159":"1.846503678","UNCO-05160":"0.913474409","UNCO-05161":"1","UNCO-05162":"3.457682958","UNCO-05163":"1.370154562","UNCO-05164":"2.753784926","UNCO-05165":"2.831840502","UNCO-05166":"0.638726455","UNCO-05167":"0.91465257","UNCO-05168":"0.618419775","UNCO-05169":"0.850274206","UNCO-05170":"0.910880316","UNCO-05171":"1.366127661","UNCO-05173":"2.055274939","UNCO-05174":"1.853666383","UNCO-05175":"0.798161713","UNCO-05176":"0.636314467","UNCO-05177":"0.560062609","UNCO-05178":"2.759191351","UNCO-05179":"0.592830701","UNCO-05180":"1.596323813","UNCO-05181":"2.214962556","UNCO-05182":"0.714361698"},{"Metabolite":"succinoyltaurine","UNCO-05151":"0.398912415","UNCO-05152":"1.205974957","UNCO-05153":"1","UNCO-05154":"1.456830973","UNCO-05155":"0.779086398","UNCO-05156":"3.998359354","UNCO-05157":"0.365761347","UNCO-05158":"7.966706159","UNCO-05159":"0.928976312","UNCO-05160":"1.213539462","UNCO-05161":"1.155187572","UNCO-05162":"4.056874056","UNCO-05163":"5.46856848","UNCO-05164":"12.12964109","UNCO-05165":"2.776088149","UNCO-05166":"0.441619305","UNCO-05167":"0.755428534","UNCO-05168":"0.283714022","UNCO-05169":"0.381704418","UNCO-05170":"0.675517805","UNCO-05171":"0.424857164","UNCO-05173":"0.685940291","UNCO-05174":"3.57656306","UNCO-05175":"0.475416611","UNCO-05176":"0.479073624","UNCO-05177":"0.408600992","UNCO-05178":"4.475509289","UNCO-05179":"1.181019605","UNCO-05180":"8.34660211","UNCO-05181":"2.990020865","UNCO-05182":"0.562150423"},{"Metabolite":"2-hydroxy-4-(methylthio)butanoic acid","UNCO-05151":"1.058908829","UNCO-05152":"1.478289115","UNCO-05153":"0.847620263","UNCO-05154":"0.904263623","UNCO-05155":"0.822746504","UNCO-05156":"0.913799475","UNCO-05157":"3.195010996","UNCO-05158":"0.334218861","UNCO-05159":"2.381835146","UNCO-05160":"1.167889998","UNCO-05161":"1","UNCO-05162":"0.565263578","UNCO-05163":"1.435212054","UNCO-05164":"0.624359678","UNCO-05165":"0.609684674","UNCO-05166":"1.242113532","UNCO-05167":"3.017194033","UNCO-05168":"3.106884739","UNCO-05169":"2.601168034","UNCO-05170":"5.180268045","UNCO-05171":"0.785413494","UNCO-05173":"0.626220776","UNCO-05174":"0.984037308","UNCO-05175":"1.303388923","UNCO-05176":"1.755312749","UNCO-05177":"1.47783337","UNCO-05178":"0.9369298","UNCO-05179":"0.150927981","UNCO-05180":"0.655988412","UNCO-05181":"0.712553882","UNCO-05182":"1.532837703"},{"Metabolite":"pentose acid*","UNCO-05151":"0.543040446","UNCO-05152":"1.076369333","UNCO-05153":"0.250207101","UNCO-05154":"1.911590601","UNCO-05155":"1.702188174","UNCO-05156":"1.176566419","UNCO-05157":"1.07918647","UNCO-05158":"0.414461243","UNCO-05159":"1.505168855","UNCO-05160":"1.68474638","UNCO-05161":"0.710859052","UNCO-05162":"1.40419698","UNCO-05163":"0.539524147","UNCO-05164":"0.96963547","UNCO-05165":"0.578952943","UNCO-05166":"0.892580705","UNCO-05167":"0.734212997","UNCO-05168":"0.984506839","UNCO-05169":"0.822477245","UNCO-05170":"1.015494469","UNCO-05171":"1.199040526","UNCO-05173":"1","UNCO-05174":"1.39758109","UNCO-05175":"0.589647644","UNCO-05176":"1.204134735","UNCO-05177":"0.706849111","UNCO-05178":"1.098831453","UNCO-05179":"0.212310011","UNCO-05180":"0.661797157","UNCO-05181":"1.675502964","UNCO-05182":"1.56926623"},{"Metabolite":"perfluorohexanesulfonate (PFHxS)","UNCO-05151":"NA","UNCO-05152":"NA","UNCO-05153":"NA","UNCO-05154":"NA","UNCO-05155":"0.474837968","UNCO-05156":"0.634751195","UNCO-05157":"NA","UNCO-05158":"0.452729875","UNCO-05159":"NA","UNCO-05160":"NA","UNCO-05161":"NA","UNCO-05162":"0.775330214","UNCO-05163":"0.491386438","UNCO-05164":"1.204479111","UNCO-05165":"1.188058074","UNCO-05166":"NA","UNCO-05167":"NA","UNCO-05168":"NA","UNCO-05169":"NA","UNCO-05170":"NA","UNCO-05171":"0.811941926","UNCO-05173":"1.636354476","UNCO-05174":"1.370304623","UNCO-05175":"NA","UNCO-05176":"NA","UNCO-05177":"NA","UNCO-05178":"2.083877392","UNCO-05179":"0.241440523","UNCO-05180":"1.659944345","UNCO-05181":"1.800031414","UNCO-05182":"NA"}],

"Metabolites":[{"Metabolite":"mevalonate","CHEM_ID":"30","LIB_ID":"305","COMP_ID":"39583","CHRO_LIB_ENTRY_ID":"146992","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Mevalonate Metabolism","PATHWAY_SORTORDER":"3197","TYPE":"NAMED","INCHIKEY":"KJTLQQUUPVSXIM-UHFFFAOYSA-N","SMILES":"CC(CCO)(CC(O)=O)O","PLOT_NAME":"mevalonate","CAS":"96949-03-0","CHEMSPIDER":"388367","HMDB":"HMDB0000227","KEGG":"C02104","PUBCHEM":"449","PLATFORM":"Polar","metab.id":"M0000000030"},{"Metabolite":"2-oxoadipate","CHEM_ID":"92","LIB_ID":"305","COMP_ID":"38347","CHRO_LIB_ENTRY_ID":"147843","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","PATHWAY_SORTORDER":"127","TYPE":"NAMED","INCHIKEY":"FGSBNBBHOZHUBO-UHFFFAOYSA-N","SMILES":"OC(C(CCCC(O)=O)=O)=O","PLOT_NAME":"2-oxoadipate","CAS":"3184-35-8","CHEMSPIDER":"70","HMDB":"HMDB0000225","KEGG":"C00322","PUBCHEM":"71","PLATFORM":"Polar","metab.id":"M0000000092"},{"Metabolite":"alpha-ketoglutarate","CHEM_ID":"93","LIB_ID":"305","COMP_ID":"528","CHRO_LIB_ENTRY_ID":"146398","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1463","TYPE":"NAMED","INCHIKEY":"KPGXRSRHYNQIFN-UHFFFAOYSA-N","SMILES":"O=C(C(O)=O)CCC(O)=O","PLOT_NAME":"alpha-ketoglutarate","CAS":"328-50-7,22202-68-2,305-72-6","CHEMSPIDER":"50","HMDB":"HMDB0000208","KEGG":"C00026","PUBCHEM":"51","PLATFORM":"Polar","metab.id":"M0000000093"},{"Metabolite":"3-hydroxyisobutyrate","CHEM_ID":"111","LIB_ID":"305","COMP_ID":"1549","CHRO_LIB_ENTRY_ID":"147711","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"433","TYPE":"NAMED","INCHIKEY":"DBXBTMSZEOQQDU-UHFFFAOYSA-N","SMILES":"CC(C(O)=O)CO","PLOT_NAME":"3-hydroxyisobutyrate","CAS":"2068-83-9","CHEMSPIDER":"10140307","HMDB":"HMDB0000023,HMDB0000336","KEGG":"C01188,C06001","PUBCHEM":"11966314","PLATFORM":"Polar","metab.id":"M0000000111"},{"Metabolite":"3-hydroxy-3-methylglutarate","CHEM_ID":"112","LIB_ID":"305","COMP_ID":"531","CHRO_LIB_ENTRY_ID":"146400","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Mevalonate Metabolism","PATHWAY_SORTORDER":"3195","TYPE":"NAMED","INCHIKEY":"NPOAOTPXWNWTSH-UHFFFAOYSA-N","SMILES":"CC(CC(O)=O)(CC(O)=O)O","PLOT_NAME":"3-hydroxy-3-methylglutarate","CAS":"503-49-1","CHEMSPIDER":"4573695","HMDB":"HMDB0000355","KEGG":"C03761","PUBCHEM":"16,625,459,993","PLATFORM":"Polar","metab.id":"M0000000112"},{"Metabolite":"quinolinate","CHEM_ID":"182","LIB_ID":"305","COMP_ID":"1899","CHRO_LIB_ENTRY_ID":"146452","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Nicotinate and Nicotinamide Metabolism","PATHWAY_SORTORDER":"4320","TYPE":"NAMED","INCHIKEY":"GJAWHXHKYYXBSV-UHFFFAOYSA-N","SMILES":"OC(C(C=CC=N1)=C1C(O)=O)=O","PLOT_NAME":"quinolinate","CAS":"89-00-9","CHEMSPIDER":"1037","HMDB":"HMDB0000232","KEGG":"C03722","PUBCHEM":"1066","PLATFORM":"Polar","metab.id":"M0000000182"},{"Metabolite":"allantoic acid","CHEM_ID":"218","LIB_ID":"305","COMP_ID":"33434","CHRO_LIB_ENTRY_ID":"146950","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, (Hypo)Xanthine/Inosine containing","PATHWAY_SORTORDER":"4154","TYPE":"NAMED","INCHIKEY":"NUCLJNSWZCHRKL-UHFFFAOYSA-N","SMILES":"OC(C(NC(N)=O)NC(N)=O)=O","PLOT_NAME":"allantoic acid","CAS":"99-16-1","CHEMSPIDER":"198","HMDB":"HMDB0001209","KEGG":"C00499","PUBCHEM":"203","PLATFORM":"Polar","metab.id":"M0000000218"},{"Metabolite":"2-hydroxyphenylacetate","CHEM_ID":"235","LIB_ID":"305","COMP_ID":"1432","CHRO_LIB_ENTRY_ID":"145724","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Phenylalanine Metabolism","PATHWAY_SORTORDER":"161","TYPE":"NAMED","INCHIKEY":"CCVYRRGZDBSHFU-UHFFFAOYSA-N","SMILES":"OC(CC1=C(O)C=CC=C1)=O","PLOT_NAME":"2-hydroxyphenylacetate","CAS":"614-75-5","CHEMSPIDER":"11476","HMDB":"HMDB0000669","KEGG":"C05852","PUBCHEM":"11970","PLATFORM":"Polar","metab.id":"M0000000235"},{"Metabolite":"phenylpyruvate","CHEM_ID":"241","LIB_ID":"305","COMP_ID":"566","CHRO_LIB_ENTRY_ID":"147094","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Phenylalanine Metabolism","PATHWAY_SORTORDER":"155","TYPE":"NAMED","INCHIKEY":"BTNMPGBKDVTSJY-UHFFFAOYSA-N","SMILES":"O=C(C(O)=O)CC1=CC=CC=C1","PLOT_NAME":"phenylpyruvate","CAS":"156-06-9","CHEMSPIDER":"972","HMDB":"HMDB0000205","KEGG":"C00166","PUBCHEM":"997","PLATFORM":"Polar","metab.id":"M0000000241"},{"Metabolite":"succinate","CHEM_ID":"252","LIB_ID":"305","COMP_ID":"1437","CHRO_LIB_ENTRY_ID":"147106","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1466","TYPE":"NAMED","INCHIKEY":"KDYFGRWQOYBRFD-UHFFFAOYSA-N","SMILES":"OC(CCC(O)=O)=O","PLOT_NAME":"succinate","CAS":"110-15-6","CHEMSPIDER":"1078","HMDB":"HMDB0000254","KEGG":"C00042","PUBCHEM":"1110","PLATFORM":"Polar","metab.id":"M0000000252"},{"Metabolite":"3-hydroxybutyrate (BHBA)","CHEM_ID":"254","LIB_ID":"305","COMP_ID":"542","CHRO_LIB_ENTRY_ID":"145710","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Ketone Bodies","PATHWAY_SORTORDER":"1956","TYPE":"NAMED","INCHIKEY":"WHBMMWSBFZVSSR-UHFFFAOYSA-N","SMILES":"CC(O)CC(O)=O","PLOT_NAME":"3-hydroxybutyrate (BHBA)","CAS":"625-72-9","CHEMSPIDER":"428","HMDB":"HMDB0000442,HMDB0000357,HMDB0000011","KEGG":"C03197,C01089","PUBCHEM":"9,431,844,192,135","PLATFORM":"Polar","metab.id":"M0000000254"},{"Metabolite":"dehydroascorbate","CHEM_ID":"301","LIB_ID":"305","COMP_ID":"1659","CHRO_LIB_ENTRY_ID":"152114","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4372","TYPE":"NAMED","INCHIKEY":"SBJKKFFYIZUCET-UHFFFAOYSA-N","SMILES":"OCC(C1OC(C(C1=O)=O)=O)O","PLOT_NAME":"dehydroascorbate","CAS":"490-83-5","CHEMSPIDER":"812","HMDB":"HMDB0001264","KEGG":"C05422","PUBCHEM":"440667","PLATFORM":"Polar","metab.id":"M0000000301"},{"Metabolite":"fumarate","CHEM_ID":"330","LIB_ID":"305","COMP_ID":"1643","CHRO_LIB_ENTRY_ID":"146876","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1467","TYPE":"NAMED","INCHIKEY":"VZCYOOQTPOCHFL-OWOJBTEDSA-N","SMILES":"OC(/C=C/C(O)=O)=O","PLOT_NAME":"fumarate","CAS":"100-17-8","CHEMSPIDER":"10197150","HMDB":"HMDB0000134","KEGG":"C00122","PUBCHEM":"444972","PLATFORM":"Polar","metab.id":"M0000000330"},{"Metabolite":"gluconate","CHEM_ID":"338","LIB_ID":"305","COMP_ID":"587","CHRO_LIB_ENTRY_ID":"147098","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4827","TYPE":"NAMED","INCHIKEY":"RGHNJXZEOKUKBD-SQOUGZDYSA-N","SMILES":"OC([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)=O","PLOT_NAME":"gluconate","CAS":"527-07-1","CHEMSPIDER":"10240","HMDB":"HMDB0000625","KEGG":"C00257","PUBCHEM":"106,903,085,666","PLATFORM":"Polar","metab.id":"M0000000338"},{"Metabolite":"glutarate (C5-DC)","CHEM_ID":"339","LIB_ID":"305","COMP_ID":"396","CHRO_LIB_ENTRY_ID":"146390","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1677","TYPE":"NAMED","INCHIKEY":"JFCQEDHGNNZCLN-UHFFFAOYSA-N","SMILES":"OC(CCCC(O)=O)=O","PLOT_NAME":"glutarate (C5-DC)","CAS":"110-94-1","CHEMSPIDER":"3618533","HMDB":"HMDB0000661","KEGG":"C00489","PUBCHEM":"7,434,418,048","PLATFORM":"Polar","metab.id":"M0000000339"},{"Metabolite":"myo-inositol","CHEM_ID":"363","LIB_ID":"305","COMP_ID":"1124","CHRO_LIB_ENTRY_ID":"145716","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Inositol Metabolism","PATHWAY_SORTORDER":"2219","TYPE":"NAMED","INCHIKEY":"CDAISMWEOUEBRE-GPIVLXJGSA-N","SMILES":"O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O","PLOT_NAME":"myo-inositol","CAS":"87-89-8","CHEMSPIDER":"10239179","HMDB":"HMDB0000211","KEGG":"C00137","PUBCHEM":"892","PLATFORM":"Polar","metab.id":"M0000000363"},{"Metabolite":"2-aminoadipate","CHEM_ID":"381","LIB_ID":"305","COMP_ID":"6146","CHRO_LIB_ENTRY_ID":"147948","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","PATHWAY_SORTORDER":"125","TYPE":"NAMED","INCHIKEY":"OYIFNHCXNCRBQI-UHFFFAOYSA-N","SMILES":"OC(CCCC(N)C(O)=O)=O","PLOT_NAME":"2-aminoadipate","CAS":"1118-90-7,542-32-5","CHEMSPIDER":"456","HMDB":"HMDB0000510","KEGG":"C00956","PUBCHEM":"92136","PLATFORM":"Polar","metab.id":"M0000000381"},{"Metabolite":"methylmalonate (MMA)","CHEM_ID":"418","LIB_ID":"305","COMP_ID":"1496","CHRO_LIB_ENTRY_ID":"145730","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Metabolism (also BCAA Metabolism)","PATHWAY_SORTORDER":"1792","TYPE":"NAMED","INCHIKEY":"ZIYVHBGGAOATLY-UHFFFAOYSA-N","SMILES":"O=C(C(C(O)=O)C)O","PLOT_NAME":"methylmalonate (MMA)","CAS":"516-05-2","CHEMSPIDER":"473","HMDB":"HMDB0000202","KEGG":"C02170","PUBCHEM":"487","PLATFORM":"Polar","metab.id":"M0000000418"},{"Metabolite":"orotate","CHEM_ID":"445","LIB_ID":"305","COMP_ID":"1505","CHRO_LIB_ENTRY_ID":"146440","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","PATHWAY_SORTORDER":"4227","TYPE":"NAMED","INCHIKEY":"PXQPEWDEAKTCGB-UHFFFAOYSA-N","SMILES":"O=C(C1=CC(O)=NC(O)=N1)O","PLOT_NAME":"orotate","CAS":"50887-69-9","CHEMSPIDER":"942","HMDB":"HMDB0000226","KEGG":"C00295","PUBCHEM":"967","PLATFORM":"Polar","metab.id":"M0000000445"},{"Metabolite":"lactate","CHEM_ID":"482","LIB_ID":"305","COMP_ID":"527","CHRO_LIB_ENTRY_ID":"146396","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","PATHWAY_SORTORDER":"1257","TYPE":"NAMED","INCHIKEY":"JVTAAEKCZFNVCJ-UHFFFAOYSA-N","SMILES":"CC(O)C(O)=O","PLOT_NAME":"lactate","CAS":"79-33-4","CHEMSPIDER":"592","HMDB":"HMDB0000190","KEGG":"C00186","PUBCHEM":"612","PLATFORM":"Polar","metab.id":"M0000000482"},{"Metabolite":"salicylate","CHEM_ID":"501","LIB_ID":"305","COMP_ID":"1515","CHRO_LIB_ENTRY_ID":"164364","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Drug - Topical Agents","PATHWAY_SORTORDER":"5989","TYPE":"NAMED","INCHIKEY":"YGSDEFSMJLZEOE-UHFFFAOYSA-N","SMILES":"OC1=C(C(O)=O)C=CC=C1","PLOT_NAME":"salicylate","CAS":"69-72-7","CHEMSPIDER":"331","HMDB":"HMDB0001895","KEGG":"C00805","PUBCHEM":"338","PLATFORM":"Polar","metab.id":"M0000000501"},{"Metabolite":"trans-urocanate","CHEM_ID":"537","LIB_ID":"305","COMP_ID":"607","CHRO_LIB_ENTRY_ID":"145714","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Histidine Metabolism","PATHWAY_SORTORDER":"80","TYPE":"NAMED","INCHIKEY":"LOIYMIARKYCTBW-OWOJBTEDSA-N","SMILES":"O=C(O)/C=C/C1=CNC=N1","PLOT_NAME":"trans-urocanate","CAS":"104-98-3","CHEMSPIDER":"643824","HMDB":"HMDB0000301","KEGG":"C00785","PUBCHEM":"736715","PLATFORM":"Polar","metab.id":"M0000000537"},{"Metabolite":"glucose","CHEM_ID":"572","LIB_ID":"305","COMP_ID":"48152","CHRO_LIB_ENTRY_ID":"151982","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","PATHWAY_SORTORDER":"1240","TYPE":"NAMED","INCHIKEY":"WQZGKKKJIJFFOK-DVKNGEFBSA-N","SMILES":"O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O","PLOT_NAME":"glucose","CAS":"50-99-7","CHEMSPIDER":"71358","HMDB":"HMDB0000122","KEGG":"C00031","PUBCHEM":"5793","PLATFORM":"Polar","metab.id":"M0000000572"},{"Metabolite":"alpha-ketobutyrate","CHEM_ID":"796","LIB_ID":"305","COMP_ID":"4968","CHRO_LIB_ENTRY_ID":"152126","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"460","TYPE":"NAMED","INCHIKEY":"TYEYBOSBBBHJIV-UHFFFAOYSA-N","SMILES":"OC(C(CC)=O)=O","PLOT_NAME":"alpha-ketobutyrate","CAS":"600-18-0","CHEMSPIDER":"2829426","HMDB":"HMDB0000005","KEGG":"C00109","PUBCHEM":"58","PLATFORM":"Polar","metab.id":"M0000000796"},{"Metabolite":"mannose","CHEM_ID":"803","LIB_ID":"305","COMP_ID":"48153","CHRO_LIB_ENTRY_ID":"152039","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","PATHWAY_SORTORDER":"1370","TYPE":"NAMED","INCHIKEY":"WQZGKKKJIJFFOK-DXQLJALPSA-N","SMILES":"O[C@@H]1C(CO)O[C@@H](O)[C@@H](O)[C@H]1O","PLOT_NAME":"mannose","CAS":"3458-28-4","CHEMSPIDER":"141983","HMDB":"HMDB0000169","KEGG":"C00159,C02209,C00936","PUBCHEM":"8,230,843,968,018,560,000,000","PLATFORM":"Polar","metab.id":"M0000000803"},{"Metabolite":"malonate","CHEM_ID":"818","LIB_ID":"305","COMP_ID":"15872","CHRO_LIB_ENTRY_ID":"147518","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid Synthesis","PATHWAY_SORTORDER":"1490","TYPE":"NAMED","INCHIKEY":"OFOBLEOULBTSOW-UHFFFAOYSA-N","SMILES":"O=C(O)CC(O)=O","PLOT_NAME":"malonate","CAS":"26522-22-85-0,141-82-2","CHEMSPIDER":"844","HMDB":"HMDB0000691","KEGG":"C00383","PUBCHEM":"867","PLATFORM":"Polar","metab.id":"M0000000818"},{"Metabolite":"uracil","CHEM_ID":"825","LIB_ID":"305","COMP_ID":"605","CHRO_LIB_ENTRY_ID":"146422","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Uracil containing","PATHWAY_SORTORDER":"4240","TYPE":"NAMED","INCHIKEY":"ISAKRJDGNUQOIC-UHFFFAOYSA-N","SMILES":"O=C(NC=C1)NC1=O","PLOT_NAME":"uracil","CAS":"66-22-8","CHEMSPIDER":"1141","HMDB":"HMDB0000300","KEGG":"C00106","PUBCHEM":"1174","PLATFORM":"Polar","metab.id":"M0000000825"},{"Metabolite":"xylose","CHEM_ID":"826","LIB_ID":"305","COMP_ID":"15581","CHRO_LIB_ENTRY_ID":"146484","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1284","TYPE":"NAMED","INCHIKEY":"PYMYPHUHKUWMLA-VPENINKCSA-N","SMILES":"O=C[C@@H]([C@H]([C@@H](CO)O)O)O","PLOT_NAME":"xylose","CAS":"609-06-3","CHEMSPIDER":"85957","HMDB":"HMDB0000098","KEGG":"C00181","PUBCHEM":"135191","PLATFORM":"Polar","metab.id":"M0000000826"},{"Metabolite":"fructose","CHEM_ID":"878","LIB_ID":"305","COMP_ID":"48195","CHRO_LIB_ENTRY_ID":"153126","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","PATHWAY_SORTORDER":"1364","TYPE":"NAMED","INCHIKEY":"RFSUNEUAIZKAJO-ARQDHWQXSA-N","SMILES":"OC[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O","PLOT_NAME":"fructose","CAS":"57-48-7","CHEMSPIDER":"5764","HMDB":"HMDB0000660","KEGG":"C00095","PUBCHEM":"2723872","PLATFORM":"Polar","metab.id":"M0000000878"},{"Metabolite":"maltose","CHEM_ID":"913","LIB_ID":"305","COMP_ID":"15586","CHRO_LIB_ENTRY_ID":"146486","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycogen Metabolism","PATHWAY_SORTORDER":"1317","TYPE":"NAMED","INCHIKEY":"GUBGYTABKSRVRQ-ASMJPISFSA-N","SMILES":"O[C@@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[C@H]2[C@@H]([C@H]([C@H](O[C@@H]2CO)O)O)O)O","PLOT_NAME":"maltose","CAS":"6363-53-7","CHEMSPIDER":"388469","HMDB":"HMDB0000163","KEGG":"C00208","PUBCHEM":"10991489","PLATFORM":"Polar","metab.id":"M0000000913"},{"Metabolite":"dihydroorotate","CHEM_ID":"923","LIB_ID":"305","COMP_ID":"601","CHRO_LIB_ENTRY_ID":"145712","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","PATHWAY_SORTORDER":"4226","TYPE":"NAMED","INCHIKEY":"UFIVEPVSAGBUSI-UHFFFAOYSA-N","SMILES":"O=C(C(NC1=O)CC(N1)=O)O","PLOT_NAME":"dihydroorotate","CAS":"155-54-4","CHEMSPIDER":"628","HMDB":"HMDB03349","KEGG":"C00337","PUBCHEM":"648","PLATFORM":"Polar","metab.id":"M0000000923"},{"Metabolite":"sucrose","CHEM_ID":"935","LIB_ID":"305","COMP_ID":"1519","CHRO_LIB_ENTRY_ID":"147116","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Disaccharides and Oligosaccharides","PATHWAY_SORTORDER":"1343","TYPE":"NAMED","INCHIKEY":"CZMRCDWAGMRECN-UGDNZRGBSA-N","SMILES":"OC[C@]1(O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H]([C@@H]([C@@H](CO)O1)O)O","PLOT_NAME":"sucrose","CAS":"57-50-1","CHEMSPIDER":"5768","HMDB":"HMDB0000258","KEGG":"C00089","PUBCHEM":"5988","PLATFORM":"Polar","metab.id":"M0000000935"},{"Metabolite":"allantoin","CHEM_ID":"1002","LIB_ID":"305","COMP_ID":"1107","CHRO_LIB_ENTRY_ID":"146424","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Purine Metabolism, (Hypo)Xanthine/Inosine containing","PATHWAY_SORTORDER":"4153","TYPE":"NAMED","INCHIKEY":"POJWUDADGALRAB-UHFFFAOYSA-N","SMILES":"O=C(N1)C(NC(N)=O)NC1=O","PLOT_NAME":"allantoin","CAS":"97-59-6","CHEMSPIDER":"199","HMDB":"HMDB0000462","KEGG":"C02348,C01551,C02350","PUBCHEM":"439,714,204,439,713","PLATFORM":"Polar","metab.id":"M0000001002"},{"Metabolite":"glycerate","CHEM_ID":"1052","LIB_ID":"305","COMP_ID":"1572","CHRO_LIB_ENTRY_ID":"146444","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Glycolysis, Gluconeogenesis, and Pyruvate Metabolism","PATHWAY_SORTORDER":"1260","TYPE":"NAMED","INCHIKEY":"RBNPOMFGQQGHHO-UHFFFAOYSA-N","SMILES":"O=C(O)C(O)CO","PLOT_NAME":"glycerate","CAS":"600-19-1","CHEMSPIDER":"732","HMDB":"HMDB0000139,HMDB0006372","KEGG":"C00258","PUBCHEM":"439,194,752","PLATFORM":"Polar","metab.id":"M0000001052"},{"Metabolite":"N-carbamoylaspartate","CHEM_ID":"1108","LIB_ID":"305","COMP_ID":"1594","CHRO_LIB_ENTRY_ID":"147490","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","PATHWAY_SORTORDER":"4225","TYPE":"NAMED","INCHIKEY":"HLKXYZVTANABHZ-REOHCLBHSA-N","SMILES":"OC([C@H](CC(O)=O)NC(N)=O)=O","PLOT_NAME":"N-carbamoylaspartate","CAS":"923-37-5","CHEMSPIDER":"4573859","HMDB":"HMDB0000828","KEGG":"C00438","PUBCHEM":"93072","PLATFORM":"Polar","metab.id":"M0000001108"},{"Metabolite":"N-acetylalanine","CHEM_ID":"1110","LIB_ID":"305","COMP_ID":"1585","CHRO_LIB_ENTRY_ID":"147717","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Alanine and Aspartate Metabolism","PATHWAY_SORTORDER":"31","TYPE":"NAMED","INCHIKEY":"KTHDTJVBEPMMGL-VKHMYHEASA-N","SMILES":"O=C(O)[C@@H](NC(C)=O)C","PLOT_NAME":"N-acetylalanine","CAS":"97-69-8","CHEMSPIDER":"79449","HMDB":"HMDB0000766","KEGG":"C02847","PUBCHEM":"88064","PLATFORM":"Polar","metab.id":"M0000001110"},{"Metabolite":"N-acetylneuraminate","CHEM_ID":"1162","LIB_ID":"305","COMP_ID":"32377","CHRO_LIB_ENTRY_ID":"147564","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Aminosugar Metabolism","PATHWAY_SORTORDER":"1436","TYPE":"NAMED","INCHIKEY":"SQVRNKJHWKZAKO-UHFFFAOYSA-N","SMILES":"OC1(C(O)=O)CC(O)C(NC(C)=O)C(C(O)C(O)CO)O1","PLOT_NAME":"N-acetylneuraminate","CAS":"131-48-6","CHEMSPIDER":"10292217","HMDB":"HMDB0000230","KEGG":"C00270","PUBCHEM":"439197","PLATFORM":"Polar","metab.id":"M0000001162"},{"Metabolite":"methylsuccinate","CHEM_ID":"2051","LIB_ID":"305","COMP_ID":"15745","CHRO_LIB_ENTRY_ID":"146490","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"415","TYPE":"NAMED","INCHIKEY":"WXUAQHNMJWJLTG-UHFFFAOYSA-N","SMILES":"CC(C(O)=O)CC(O)=O","PLOT_NAME":"methylsuccinate","CAS":"498-21-5","CHEMSPIDER":"9922","HMDB":"HMDB0001844","KEGG":"NA","PUBCHEM":"10349","PLATFORM":"Polar","metab.id":"M0000002051"},{"Metabolite":"tricarballylate","CHEM_ID":"2053","LIB_ID":"305","COMP_ID":"15729","CHRO_LIB_ENTRY_ID":"147741","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1474","TYPE":"NAMED","INCHIKEY":"KQTIIICEAUMSDG-UHFFFAOYSA-N","SMILES":"OC(CC(C(O)=O)CC(O)=O)=O","PLOT_NAME":"tricarballylate","CAS":"99-14-9","CHEMSPIDER":"14220","HMDB":"HMDB0031193","KEGG":"C19806","PUBCHEM":"14925","PLATFORM":"Polar","metab.id":"M0000002053"},{"Metabolite":"ethylmalonate","CHEM_ID":"2054","LIB_ID":"305","COMP_ID":"15765","CHRO_LIB_ENTRY_ID":"147158","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"412","TYPE":"NAMED","INCHIKEY":"UKFXDFUAPNAMPJ-UHFFFAOYSA-N","SMILES":"CCC(C(O)=O)C(O)=O","PLOT_NAME":"ethylmalonate","CAS":"601-75-2","CHEMSPIDER":"11263","HMDB":"HMDB0000622","KEGG":"NA","PUBCHEM":"11756","PLATFORM":"Polar","metab.id":"M0000002054"},{"Metabolite":"2-ketogulonate","CHEM_ID":"100000092","LIB_ID":"305","COMP_ID":"15306","CHRO_LIB_ENTRY_ID":"145760","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","PATHWAY_SORTORDER":"1386","TYPE":"NAMED","INCHIKEY":"VBUYCZFBVCCYFD-NUNKFHFFSA-N","SMILES":"OC[C@H](O)[C@@H](O)[C@H](O)C(C(O)=O)=O","PLOT_NAME":"2-ketogulonate","CAS":"342385-52-8","CHEMSPIDER":"92502","HMDB":"HMDB0011732","KEGG":"C15673","PUBCHEM":"102424","PLATFORM":"Polar","metab.id":"M0100000092"},{"Metabolite":"pimelate (C7-DC)","CHEM_ID":"100000101","LIB_ID":"305","COMP_ID":"15704","CHRO_LIB_ENTRY_ID":"147156","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1691","TYPE":"NAMED","INCHIKEY":"WLJVNTCWHIRURA-UHFFFAOYSA-N","SMILES":"OC(CCCCCC(O)=O)=O","PLOT_NAME":"pimelate (C7-DC)","CAS":"111-16-0","CHEMSPIDER":"376","HMDB":"HMDB0000857","KEGG":"C02656","PUBCHEM":"385","PLATFORM":"Polar","metab.id":"M0100000101"},{"Metabolite":"creatine phosphate","CHEM_ID":"100000112","LIB_ID":"305","COMP_ID":"33951","CHRO_LIB_ENTRY_ID":"147990","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Creatine Metabolism","PATHWAY_SORTORDER":"538","TYPE":"NAMED","INCHIKEY":"DRBBFCLWYRJSJZ-UHFFFAOYSA-N","SMILES":"N=C(N(C)CC(O)=O)NP(O)(O)=O","PLOT_NAME":"creatine phosphate","CAS":"922-32-7,67-07-2","CHEMSPIDER":"567","HMDB":"HMDB0001511","KEGG":"C02305","PUBCHEM":"9,548,602,587","PLATFORM":"Polar","metab.id":"M0100000112"},{"Metabolite":"glucuronate","CHEM_ID":"100000257","LIB_ID":"305","COMP_ID":"15443","CHRO_LIB_ENTRY_ID":"146478","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Aminosugar Metabolism","PATHWAY_SORTORDER":"1424","TYPE":"NAMED","INCHIKEY":"AEMOLEFTQBMNLQ-QIUUJYRFSA-N","SMILES":"O[C@@H]1O[C@H]([C@](O)=O)[C@@H](O)[C@H](O)[C@H]1O","PLOT_NAME":"glucuronate","CAS":"207300-70-7","CHEMSPIDER":"58552","HMDB":"HMDB0000127","KEGG":"C16245","PUBCHEM":"441,478,236,779,769,000,000,000,000,000","PLATFORM":"Polar","metab.id":"M0100000257"},{"Metabolite":"allo-threonine","CHEM_ID":"100000272","LIB_ID":"305","COMP_ID":"15142","CHRO_LIB_ENTRY_ID":"145758","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glycine, Serine and Threonine Metabolism","PATHWAY_SORTORDER":"19","TYPE":"NAMED","INCHIKEY":"AYFVYJQAPQTCCC-HRFVKAFMSA-N","SMILES":"O=C(O)[C@@H](N)[C@H](C)O","PLOT_NAME":"allo-threonine","CAS":"28954-12-3","CHEMSPIDER":"89699","HMDB":"HMDB0004041","KEGG":"C05519","PUBCHEM":"99289","PLATFORM":"Polar","metab.id":"M0100000272"},{"Metabolite":"N-acetylglutamate","CHEM_ID":"100000282","LIB_ID":"305","COMP_ID":"15720","CHRO_LIB_ENTRY_ID":"164302","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutamate Metabolism","PATHWAY_SORTORDER":"49","TYPE":"NAMED","INCHIKEY":"RFMMMVDNIPUKGG-YFKPBYRVSA-N","SMILES":"O=C(O)CC[C@@H](C(O)=O)NC(C)=O","PLOT_NAME":"N-acetylglutamate","CAS":"8/3/17","CHEMSPIDER":"1266066","HMDB":"HMDB0001138","KEGG":"C00624","PUBCHEM":"70914","PLATFORM":"Polar","metab.id":"M0100000282"},{"Metabolite":"ribitol","CHEM_ID":"100000406","LIB_ID":"305","COMP_ID":"15772","CHRO_LIB_ENTRY_ID":"146492","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1279","TYPE":"NAMED","INCHIKEY":"HEBKCHPVOIAQTA-ZXFHETKHSA-N","SMILES":"OC[C@@H](O)[C@@H](O)[C@@H](O)CO","PLOT_NAME":"ribitol","CAS":"488-81-3","CHEMSPIDER":"10254628","HMDB":"HMDB0002917,HMDB0001851,HMDB0000568,HMDB0000508","KEGG":"C00379,C01904,C00474,C00532","PUBCHEM":"6912","PLATFORM":"Polar","metab.id":"M0100000406"},{"Metabolite":"2-isopropylmalate","CHEM_ID":"100000409","LIB_ID":"305","COMP_ID":"15667","CHRO_LIB_ENTRY_ID":"152132","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4802","TYPE":"NAMED","INCHIKEY":"BITYXLXUCSKTJS-UHFFFAOYSA-N","SMILES":"OC(CC(O)=O)(C(C)C)C(O)=O","PLOT_NAME":"2-isopropylmalate","CAS":"3237-44-3","CHEMSPIDER":"76","HMDB":"HMDB0000402","KEGG":"C02504","PUBCHEM":"77","PLATFORM":"Polar","metab.id":"M0100000409"},{"Metabolite":"quinate","CHEM_ID":"100000442","LIB_ID":"305","COMP_ID":"18335","CHRO_LIB_ENTRY_ID":"146498","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4927","TYPE":"NAMED","INCHIKEY":"AAWZDTNXLSGCEK-WYWMIBKRSA-N","SMILES":"O[C@@]1([C@](O)(C[C@@](C(O)=O)(C[C@]1(O)[H])O)[H])[H]","PLOT_NAME":"quinate","CAS":"77-95-2","CHEMSPIDER":"10246715","HMDB":"HMDB0003072","KEGG":"C00296","PUBCHEM":"6508","PLATFORM":"Polar","metab.id":"M0100000442"},{"Metabolite":"gentisate","CHEM_ID":"100000447","LIB_ID":"305","COMP_ID":"18280","CHRO_LIB_ENTRY_ID":"152144","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tyrosine Metabolism","PATHWAY_SORTORDER":"224","TYPE":"NAMED","INCHIKEY":"WXTMDXOMEHJXQO-UHFFFAOYSA-N","SMILES":"O=C(O)C1=CC(O)=CC=C1O","PLOT_NAME":"gentisate","CAS":"490-79-9","CHEMSPIDER":"3350","HMDB":"HMDB0000152","KEGG":"C00628","PUBCHEM":"3469","PLATFORM":"Polar","metab.id":"M0100000447"},{"Metabolite":"maleate","CHEM_ID":"100000707","LIB_ID":"305","COMP_ID":"20676","CHRO_LIB_ENTRY_ID":"147767","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1689","TYPE":"NAMED","INCHIKEY":"VZCYOOQTPOCHFL-UHFFFAOYSA-N","SMILES":"O=C(C=CC(O)=O)O","PLOT_NAME":"maleate","CAS":"110-16-7","CHEMSPIDER":"392248","HMDB":"HMDB0000176","KEGG":"C01384","PUBCHEM":"444266","PLATFORM":"Polar","metab.id":"M0100000707"},{"Metabolite":"N-acetylaspartate (NAA)","CHEM_ID":"100000787","LIB_ID":"305","COMP_ID":"22185","CHRO_LIB_ENTRY_ID":"147184","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Alanine and Aspartate Metabolism","PATHWAY_SORTORDER":"37","TYPE":"NAMED","INCHIKEY":"OTCCIMWXFLJLIA-BYPYZUCNSA-N","SMILES":"OC([C@@H](NC(C)=O)CC(O)=O)=O","PLOT_NAME":"N-acetylaspartate (NAA)","CAS":"997-55-7,997-55-7","CHEMSPIDER":"58576","HMDB":"HMDB0000812","KEGG":"C01042","PUBCHEM":"65065","PLATFORM":"Polar","metab.id":"M0100000787"},{"Metabolite":"erythritol","CHEM_ID":"100000846","LIB_ID":"305","COMP_ID":"20699","CHRO_LIB_ENTRY_ID":"146508","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4917","TYPE":"NAMED","INCHIKEY":"UNXHWFMMPAWVPI-UHFFFAOYSA-N","SMILES":"OCC(O)C(CO)O","PLOT_NAME":"erythritol","CAS":"149-32-6","CHEMSPIDER":"13835932","HMDB":"HMDB0002994","KEGG":"C00503","PUBCHEM":"222285","PLATFORM":"Polar","metab.id":"M0100000846"},{"Metabolite":"adipate (C6-DC)","CHEM_ID":"100000863","LIB_ID":"305","COMP_ID":"21134","CHRO_LIB_ENTRY_ID":"147544","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1683","TYPE":"NAMED","INCHIKEY":"WNLRTRBMVRJNCN-UHFFFAOYSA-N","SMILES":"OC(CCCCC(O)=O)=O","PLOT_NAME":"adipate","CAS":"124-04-9","CHEMSPIDER":"191","HMDB":"HMDB0000448","KEGG":"C06104","PUBCHEM":"196","PLATFORM":"Polar","metab.id":"M0100000863"},{"Metabolite":"ribonate","CHEM_ID":"100001007","LIB_ID":"305","COMP_ID":"27731","CHRO_LIB_ENTRY_ID":"147186","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1280","TYPE":"NAMED","INCHIKEY":"QXKAIJAYHKCRRA-BXXZVTAOSA-N","SMILES":"OC([C@H](O)[C@H](O)[C@H](O)CO)=O","PLOT_NAME":"ribonate","CAS":"8/3/36","CHEMSPIDER":"4574162","HMDB":"HMDB0000867","KEGG":"C01685","PUBCHEM":"5460677","PLATFORM":"Polar","metab.id":"M0100001007"},{"Metabolite":"threonate","CHEM_ID":"100001022","LIB_ID":"305","COMP_ID":"27738","CHRO_LIB_ENTRY_ID":"146524","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4374","TYPE":"NAMED","INCHIKEY":"JPIJQSOTBSSVTP-UHFFFAOYSA-N","SMILES":"O=C(O)C(O)([H])C([H])(O)CO","PLOT_NAME":"threonate","CAS":"70753-61-6","CHEMSPIDER":"133224","HMDB":"HMDB0062620,HMDB0000943","KEGG":"C01620","PUBCHEM":"1,511,525,460,407","PLATFORM":"Polar","metab.id":"M0100001022"},{"Metabolite":"galactonate","CHEM_ID":"100001026","LIB_ID":"305","COMP_ID":"27719","CHRO_LIB_ENTRY_ID":"152158","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","PATHWAY_SORTORDER":"1390","TYPE":"NAMED","INCHIKEY":"RGHNJXZEOKUKBD-MGCNEYSASA-N","SMILES":"O[C@H]([C@H]([C@H]([C@@H](CO)O)O)O)C(O)=O","PLOT_NAME":"galactonate","CAS":"299-28-5","CHEMSPIDER":"114198","HMDB":"HMDB0000565","KEGG":"C00880,C15930","PUBCHEM":"12,310,779,128,869","PLATFORM":"Polar","metab.id":"M0100001026"},{"Metabolite":"2-hydroxyadipate","CHEM_ID":"100001153","LIB_ID":"305","COMP_ID":"31934","CHRO_LIB_ENTRY_ID":"145806","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1685","TYPE":"NAMED","INCHIKEY":"OTTXIFWBPRRYOG-UHFFFAOYSA-N","SMILES":"O=C(O)C(O)CCCC(O)=O","PLOT_NAME":"2-hydroxyadipate","CAS":"18294-85-4","CHEMSPIDER":"167943","HMDB":"HMDB0000321","KEGG":"C02360","PUBCHEM":"193530","PLATFORM":"Polar","metab.id":"M0100001153"},{"Metabolite":"N-acetylglutamine","CHEM_ID":"100001253","LIB_ID":"305","COMP_ID":"33943","CHRO_LIB_ENTRY_ID":"146952","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutamate Metabolism","PATHWAY_SORTORDER":"50","TYPE":"NAMED","INCHIKEY":"KSMRODHGGIIXDV-YFKPBYRVSA-N","SMILES":"OC([C@H](CCC(N)=O)NC(C)=O)=O","PLOT_NAME":"N-acetylglutamine","CAS":"2490-97-3","CHEMSPIDER":"158492","HMDB":"HMDB0006029","KEGG":"C02716","PUBCHEM":"182230","PLATFORM":"Polar","metab.id":"M0100001253"},{"Metabolite":"N-acetylasparagine","CHEM_ID":"100001257","LIB_ID":"305","COMP_ID":"33942","CHRO_LIB_ENTRY_ID":"147568","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Alanine and Aspartate Metabolism","PATHWAY_SORTORDER":"42","TYPE":"NAMED","INCHIKEY":"HXFOXFJUNFFYMO-BYPYZUCNSA-N","SMILES":"OC([C@@H](NC(C)=O)CC(N)=O)=O","PLOT_NAME":"N-acetylasparagine","CAS":"4033-40-3","CHEMSPIDER":"90090","HMDB":"HMDB0006028","KEGG":"NA","PUBCHEM":"99715","PLATFORM":"Polar","metab.id":"M0100001257"},{"Metabolite":"alpha-hydroxyisovalerate","CHEM_ID":"100001300","LIB_ID":"305","COMP_ID":"46537","CHRO_LIB_ENTRY_ID":"146562","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"429","TYPE":"NAMED","INCHIKEY":"NGEWQZIDQIYUNV-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)C(C)C","PLOT_NAME":"alpha-hydroxyisovalerate","CAS":"600-37-3","CHEMSPIDER":"90190","HMDB":"HMDB0000407","KEGG":"NA","PUBCHEM":"99823","PLATFORM":"Polar","metab.id":"M0100001300"},{"Metabolite":"erythronate*","CHEM_ID":"100001320","LIB_ID":"305","COMP_ID":"42420","CHRO_LIB_ENTRY_ID":"148204","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Aminosugar Metabolism","PATHWAY_SORTORDER":"1449","TYPE":"NAMED","INCHIKEY":"JPIJQSOTBSSVTP-PWNYCUMCSA-N","SMILES":"OC[C@@H](O)[C@@H](O)C(O)=O","PLOT_NAME":"erythronate*","CAS":"88759-55-1","CHEMSPIDER":"2061231","HMDB":"HMDB0000613","KEGG":"NA","PUBCHEM":"2781043","PLATFORM":"Polar","metab.id":"M0100001320"},{"Metabolite":"orotidine","CHEM_ID":"100001416","LIB_ID":"305","COMP_ID":"35172","CHRO_LIB_ENTRY_ID":"147813","SUPER_PATHWAY":"Nucleotide","SUB_PATHWAY":"Pyrimidine Metabolism, Orotate containing","PATHWAY_SORTORDER":"4229","TYPE":"NAMED","INCHIKEY":"FKCRAVPPBFWEJD-XVFCMESISA-N","SMILES":"O=C(C=C(C(O)=O)N1[C@H]2[C@H](O)[C@H](O)[C@@H](CO)O2)NC1=O","PLOT_NAME":"orotidine","CAS":"314-50-1","CHEMSPIDER":"83729","HMDB":"HMDB0000788","KEGG":"NA","PUBCHEM":"92751","PLATFORM":"Polar","metab.id":"M0100001416"},{"Metabolite":"gulonate*","CHEM_ID":"100001586","LIB_ID":"305","COMP_ID":"46957","CHRO_LIB_ENTRY_ID":"148205","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4378","TYPE":"NAMED","INCHIKEY":"RGHNJXZEOKUKBD-NRXMZTRTSA-N","SMILES":"OC([C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)=O","PLOT_NAME":"gulonate*","CAS":"20246-53-1","CHEMSPIDER":"7969943","HMDB":"HMDB0003290","KEGG":"C00800","PUBCHEM":"152304","PLATFORM":"Polar","metab.id":"M0100001586"},{"Metabolite":"cholesterol sulfate","CHEM_ID":"100001606","LIB_ID":"305","COMP_ID":"35324","CHRO_LIB_ENTRY_ID":"238705","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Sterol","PATHWAY_SORTORDER":"3213","TYPE":"NAMED","INCHIKEY":"BHYOQNUELFTYRT-UHFFFAOYSA-N","SMILES":"CC1(C2C(C)CCCC(C)C)C(CC2)C(CC=C3C4(CCC(OS(=O)(O)=O)C3)C)C4CC1","PLOT_NAME":"cholesterol sulfate","CAS":"2864-50-8","CHEMSPIDER":"4371550","HMDB":"HMDB00653,HMDB0000653","KEGG":"C18043","PUBCHEM":"65076","PLATFORM":"Polar","metab.id":"M0100001606"},{"Metabolite":"glycerophosphoglycerol","CHEM_ID":"100001619","LIB_ID":"305","COMP_ID":"48857","CHRO_LIB_ENTRY_ID":"160476","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Glycerolipid Metabolism","PATHWAY_SORTORDER":"2866","TYPE":"NAMED","INCHIKEY":"LLCSXHMJULHSJN-UHFFFAOYSA-N","SMILES":"OC(CO)COP(O)(OCC(CO)O)=O","PLOT_NAME":"glycerophosphoglycerol","CAS":"NA","CHEMSPIDER":"388990","HMDB":"HMDB0240316","KEGG":"C03274","PUBCHEM":"54575349","PLATFORM":"Polar","metab.id":"M0100001619"},{"Metabolite":"glycerophosphoinositol*","CHEM_ID":"100001621","LIB_ID":"305","COMP_ID":"47155","CHRO_LIB_ENTRY_ID":"148603","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Phospholipid Metabolism","PATHWAY_SORTORDER":"2260","TYPE":"NAMED","INCHIKEY":"BMVUIWJCUQSHLZ-GFSNQTMESA-N","SMILES":"[H]C(C(O)(C(O)([C@](O)1[H])[H])[H])([C@@](OP(O)(OC[C@@]([H])(CO)O)=O)([C@]1(O)[H])[H])O","PLOT_NAME":"glycerophosphoinositol*","CAS":"16824-65-0","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"167572","PLATFORM":"Polar","metab.id":"M0100001621"},{"Metabolite":"4-hydroxycinnamate","CHEM_ID":"100001675","LIB_ID":"305","COMP_ID":"36770","CHRO_LIB_ENTRY_ID":"212242","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5204","TYPE":"NAMED","INCHIKEY":"NGSWKAQJJWESNS-ZZXKWVIFSA-N","SMILES":"OC(/C=C/C1=CC=C(C=C1)O)=O","PLOT_NAME":"4-hydroxycinnamate","CAS":"501-98-4","CHEMSPIDER":"553148","HMDB":"HMDB0002035","KEGG":"C00811","PUBCHEM":"637542","PLATFORM":"Polar","metab.id":"M0100001675"},{"Metabolite":"N2-acetyllysine","CHEM_ID":"100001721","LIB_ID":"305","COMP_ID":"36751","CHRO_LIB_ENTRY_ID":"145848","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Lysine Metabolism","PATHWAY_SORTORDER":"108","TYPE":"NAMED","INCHIKEY":"VEYYWZRYIYDQJM-ZETCQYMHSA-N","SMILES":"OC([C@H](CCCCN)NC(C)=O)=O","PLOT_NAME":"N2-acetyllysine","CAS":"1946-82-3","CHEMSPIDER":"83869","HMDB":"HMDB0000446","KEGG":"C12989","PUBCHEM":"92907","PLATFORM":"Polar","metab.id":"M0100001721"},{"Metabolite":"3,4-dihydroxybutyrate","CHEM_ID":"100001730","LIB_ID":"305","COMP_ID":"62952","CHRO_LIB_ENTRY_ID":"220827","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","PATHWAY_SORTORDER":"2055","TYPE":"NAMED","INCHIKEY":"DZAIOXUZHHTJKN-UHFFFAOYSA-N","SMILES":"O=C(CC(CO)O)O","PLOT_NAME":"3,4-dihydroxybutyrate","CAS":"51267-44-8","CHEMSPIDER":"NA","HMDB":"HMDB0000337","KEGG":"NA","PUBCHEM":"150929","PLATFORM":"Polar","metab.id":"M0100001730"},{"Metabolite":"mannitol/sorbitol","CHEM_ID":"100001740","LIB_ID":"305","COMP_ID":"46142","CHRO_LIB_ENTRY_ID":"146560","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Fructose, Mannose and Galactose Metabolism","PATHWAY_SORTORDER":"1369","TYPE":"NAMED","INCHIKEY":"FBPFZTCFMRRESA-UHFFFAOYSA-N","SMILES":"OCC(O)C(O)C(O)C(O)CO","PLOT_NAME":"mannitol/sorbitol","CAS":"NA","CHEMSPIDER":"440","HMDB":"HMDB0000247,HMDB0000765","KEGG":"C00392,C00794","PUBCHEM":"57,806,251","PLATFORM":"Polar","metab.id":"M0100001740"},{"Metabolite":"3-methyladipate","CHEM_ID":"100001765","LIB_ID":"305","COMP_ID":"36749","CHRO_LIB_ENTRY_ID":"146966","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1687","TYPE":"NAMED","INCHIKEY":"SYEOWUNSTUDKGM-UHFFFAOYSA-N","SMILES":"O=C(O)CC(C)CCC(O)=O","PLOT_NAME":"3-methyladipate","CAS":"1/3/58","CHEMSPIDER":"11789","HMDB":"HMDB0000555","KEGG":"NA","PUBCHEM":"12292","PLATFORM":"Polar","metab.id":"M0100001765"},{"Metabolite":"N-acetylserine","CHEM_ID":"100001851","LIB_ID":"305","COMP_ID":"37076","CHRO_LIB_ENTRY_ID":"147598","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glycine, Serine and Threonine Metabolism","PATHWAY_SORTORDER":"11","TYPE":"NAMED","INCHIKEY":"JJIHLJJYMXLCOY-BYPYZUCNSA-N","SMILES":"OC[C@@H](C(O)=O)NC(C)=O","PLOT_NAME":"N-acetylserine","CAS":"97-14-3","CHEMSPIDER":"58744","HMDB":"HMDB0002931","KEGG":"NA","PUBCHEM":"65249","PLATFORM":"Polar","metab.id":"M0100001851"},{"Metabolite":"chiro-inositol","CHEM_ID":"100001859","LIB_ID":"305","COMP_ID":"37112","CHRO_LIB_ENTRY_ID":"145854","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Inositol Metabolism","PATHWAY_SORTORDER":"2220","TYPE":"NAMED","INCHIKEY":"CDAISMWEOUEBRE-LKPKBOIGSA-N","SMILES":"O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O","PLOT_NAME":"chiro-inositol","CAS":"643-12-9","CHEMSPIDER":"10254647","HMDB":"HMDB0240209","KEGG":"C19891","PUBCHEM":"NA","PLATFORM":"Polar","metab.id":"M0100001859"},{"Metabolite":"pinitol","CHEM_ID":"100001860","LIB_ID":"305","COMP_ID":"37086","CHRO_LIB_ENTRY_ID":"146544","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Inositol Metabolism","PATHWAY_SORTORDER":"2221","TYPE":"NAMED","INCHIKEY":"DSCFFEYYQKSRSV-KLJZZCKASA-N","SMILES":"O[C@@H]1[C@@H](O)[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]1O","PLOT_NAME":"pinitol","CAS":"10284-63-6","CHEMSPIDER":"10369209","HMDB":"HMDB0034219","KEGG":"C03844","PUBCHEM":"164619","PLATFORM":"Polar","metab.id":"M0100001860"},{"Metabolite":"2-hydroxyglutarate","CHEM_ID":"100002070","LIB_ID":"305","COMP_ID":"37253","CHRO_LIB_ENTRY_ID":"147606","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1681","TYPE":"NAMED","INCHIKEY":"HWXBTNAVRSUOJR-UHFFFAOYSA-N","SMILES":"O=C(O)CCC(O)C(O)=O","PLOT_NAME":"2-hydroxyglutarate","CAS":"40951-21-1","CHEMSPIDER":"42","HMDB":"HMDB0059655","KEGG":"C02630","PUBCHEM":"43","PLATFORM":"Polar","metab.id":"M0100002070"},{"Metabolite":"2S,3R-dihydroxybutyrate","CHEM_ID":"100002284","LIB_ID":"305","COMP_ID":"62950","CHRO_LIB_ENTRY_ID":"220825","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","PATHWAY_SORTORDER":"2051","TYPE":"NAMED","INCHIKEY":"LOUGYXZSURQALL-GBXIJSLDSA-N","SMILES":"C[C@@H](O)[C@H](O)C(O)=O","PLOT_NAME":"2S,3R-dihydroxybutyrate","CAS":"5057-93-2","CHEMSPIDER":"9139682","HMDB":"HMDB0002453","KEGG":"NA","PUBCHEM":"10964471","PLATFORM":"Polar","metab.id":"M0100002284"},{"Metabolite":"2,4-dihydroxybutyrate","CHEM_ID":"100002285","LIB_ID":"305","COMP_ID":"62951","CHRO_LIB_ENTRY_ID":"220826","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","PATHWAY_SORTORDER":"2054","TYPE":"NAMED","INCHIKEY":"UFYGCFHQAXXBCF-UHFFFAOYSA-N","SMILES":"OCCC(O)C(O)=O","PLOT_NAME":"2,4-dihydroxybutyrate","CAS":"1518-62-3","CHEMSPIDER":"167259","HMDB":"HMDB0000360","KEGG":"NA","PUBCHEM":"192742","PLATFORM":"Polar","metab.id":"M0100002285"},{"Metabolite":"2R,3R-dihydroxybutyrate","CHEM_ID":"100002367","LIB_ID":"305","COMP_ID":"63109","CHRO_LIB_ENTRY_ID":"221751","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dihydroxy","PATHWAY_SORTORDER":"2052","TYPE":"NAMED","INCHIKEY":"LOUGYXZSURQALL-PWNYCUMCSA-N","SMILES":"OC([C@H](O)[C@H](O)C)=O","PLOT_NAME":"2R,3R-dihydroxybutyrate","CAS":"759-06-8","CHEMSPIDER":"17215960","HMDB":"HMDB0000498","KEGG":"NA","PUBCHEM":"13120901","PLATFORM":"Polar","metab.id":"M0100002367"},{"Metabolite":"alpha-ketoglutaramate*","CHEM_ID":"100002397","LIB_ID":"305","COMP_ID":"62101","CHRO_LIB_ENTRY_ID":"218946","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutamate Metabolism","PATHWAY_SORTORDER":"48","TYPE":"NAMED","INCHIKEY":"COJBGNAUUSNXHX-UHFFFAOYSA-N","SMILES":"NC(CCC(C(O)=O)=O)=O","PLOT_NAME":"alpha-ketoglutaramate*","CAS":"18465-19-5","CHEMSPIDER":"NA","HMDB":"HMDB0001552","KEGG":"C00940","PUBCHEM":"48","PLATFORM":"Polar","metab.id":"M0100002397"},{"Metabolite":"2,3-dihydroxyisovalerate","CHEM_ID":"100002417","LIB_ID":"305","COMP_ID":"38276","CHRO_LIB_ENTRY_ID":"152194","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4794","TYPE":"NAMED","INCHIKEY":"JTEYKUFKXGDTEU-UHFFFAOYSA-N","SMILES":"OC(C(O)C(C)(O)C)=O","PLOT_NAME":"2,3-dihydroxyisovalerate","CAS":"1756-18-9","CHEMSPIDER":"657","HMDB":"HMDB0012141","KEGG":"C04039","PUBCHEM":"677","PLATFORM":"Polar","metab.id":"M0100002417"},{"Metabolite":"3-methylglutaconate","CHEM_ID":"100002458","LIB_ID":"305","COMP_ID":"57747","CHRO_LIB_ENTRY_ID":"213342","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Leucine, Isoleucine and Valine Metabolism","PATHWAY_SORTORDER":"372","TYPE":"NAMED","INCHIKEY":"WKRBKYFIJPGYQC-DUXPYHPUSA-N","SMILES":"OC(C/C(C)=C/C(O)=O)=O","PLOT_NAME":"3-methylglutaconate","CAS":"5746-90-7","CHEMSPIDER":"1267861","HMDB":"HMDB0000522","KEGG":"NA","PUBCHEM":"1551553","PLATFORM":"Polar","metab.id":"M0100002458"},{"Metabolite":"hydantoin-5-propionate","CHEM_ID":"100002514","LIB_ID":"305","COMP_ID":"40473","CHRO_LIB_ENTRY_ID":"152212","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Histidine Metabolism","PATHWAY_SORTORDER":"79","TYPE":"NAMED","INCHIKEY":"VWFWNXQAMGDPGG-UHFFFAOYSA-N","SMILES":"O=C1NC(C(CCC(O)=O)N1)=O","PLOT_NAME":"hydantoin-5-propionate","CAS":"5624-26-0","CHEMSPIDER":"761","HMDB":"HMDB0001212","KEGG":"C05565","PUBCHEM":"782","PLATFORM":"Polar","metab.id":"M0100002514"},{"Metabolite":"4-hydroxy-2-oxoglutaric acid","CHEM_ID":"100002537","LIB_ID":"305","COMP_ID":"40062","CHRO_LIB_ENTRY_ID":"207371","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1682","TYPE":"NAMED","INCHIKEY":"WXSKVKPSMAHCSG-UHFFFAOYSA-N","SMILES":"OC(C(O)=O)CC(C(O)=O)=O","PLOT_NAME":"4-hydroxy-2-oxoglutaric acid","CAS":"1187-99-1","CHEMSPIDER":"579","HMDB":"HMDB0002070","KEGG":"C01127","PUBCHEM":"599","PLATFORM":"Polar","metab.id":"M0100002537"},{"Metabolite":"sedoheptulose","CHEM_ID":"100002619","LIB_ID":"305","COMP_ID":"53237","CHRO_LIB_ENTRY_ID":"179411","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1305","TYPE":"NAMED","INCHIKEY":"HSNZZMHEPUFJNZ-SHUUEZRQSA-N","SMILES":"OCC([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)=O","PLOT_NAME":"sedoheptulose","CAS":"3019-74-7","CHEMSPIDER":"4573620","HMDB":"HMDB0003219","KEGG":"C02076","PUBCHEM":"5459879","PLATFORM":"Polar","metab.id":"M0100002619"},{"Metabolite":"2-O-methylascorbic acid","CHEM_ID":"100003258","LIB_ID":"305","COMP_ID":"63990","CHRO_LIB_ENTRY_ID":"232912","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4373","TYPE":"NAMED","INCHIKEY":"RMHBODZVODTFAH-UHFFFAOYSA-N","SMILES":"OC1=C(OC)C(C(C(CO)O)O1)=O","PLOT_NAME":"2-O-methylascorbic acid","CAS":"17860-87-6","CHEMSPIDER":"90149","HMDB":"HMDB0240294","KEGG":"NA","PUBCHEM":"54726398","PLATFORM":"Polar","metab.id":"M0100003258"},{"Metabolite":"mannonate*","CHEM_ID":"100003695","LIB_ID":"305","COMP_ID":"62864","CHRO_LIB_ENTRY_ID":"220652","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"4981","TYPE":"NAMED","INCHIKEY":"RGHNJXZEOKUKBD-MBMOQRBOSA-N","SMILES":"O=C([C@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O","PLOT_NAME":"mannonate*","CAS":"642-99-9","CHEMSPIDER":"2496757","HMDB":"NA","KEGG":"NA","PUBCHEM":"3246006","PLATFORM":"Polar","metab.id":"M0100003695"},{"Metabolite":"3-hydroxyadipate","CHEM_ID":"100004396","LIB_ID":"305","COMP_ID":"62069","CHRO_LIB_ENTRY_ID":"218878","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1686","TYPE":"NAMED","INCHIKEY":"YVOMYDHIQVMMTA-UHFFFAOYSA-N","SMILES":"OC(CC(O)=O)CCC(O)=O","PLOT_NAME":"3-hydroxyadipate","CAS":"NA","CHEMSPIDER":"133894","HMDB":"HMDB0000345","KEGG":"NA","PUBCHEM":"151913","PLATFORM":"Polar","metab.id":"M0100004396"},{"Metabolite":"N-formylanthranilic acid","CHEM_ID":"100004561","LIB_ID":"305","COMP_ID":"43549","CHRO_LIB_ENTRY_ID":"211420","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Tryptophan Metabolism","PATHWAY_SORTORDER":"279","TYPE":"NAMED","INCHIKEY":"LLLPDUXGHXIXIW-UHFFFAOYSA-N","SMILES":"OC(C1=CC=CC=C1N([H])C=O)=O","PLOT_NAME":"N-formylanthranilic acid","CAS":"3342-77-6","CHEMSPIDER":"91624","HMDB":"HMDB0004089","KEGG":"C05653","PUBCHEM":"101399","PLATFORM":"Polar","metab.id":"M0100004561"},{"Metabolite":"2-keto-3-deoxy-gluconate","CHEM_ID":"100005946","LIB_ID":"305","COMP_ID":"48141","CHRO_LIB_ENTRY_ID":"160468","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5152","TYPE":"NAMED","INCHIKEY":"WPAMZTWLKIDIOP-WVZVXSGGSA-N","SMILES":"OC[C@@H](O)[C@@H](O)CC(C(O)=O)=O","PLOT_NAME":"2-keto-3-deoxy-gluconate","CAS":"17510-99-5","CHEMSPIDER":"141630","HMDB":"HMDB0001353","KEGG":"C00204","PUBCHEM":"161227","PLATFORM":"Polar","metab.id":"M0100005946"},{"Metabolite":"arabonate/xylonate","CHEM_ID":"100006115","LIB_ID":"305","COMP_ID":"48255","CHRO_LIB_ENTRY_ID":"153226","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1300","TYPE":"NAMED","INCHIKEY":"QXKAIJAYHKCRRA-JJYYJPOSSA-N","SMILES":"OC([C@H]([C@@H]([C@@H](CO)O)O)O)=O","PLOT_NAME":"arabonate/xylonate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000539","KEGG":"C00502,C05411","PUBCHEM":"1,220,456,602,431","PLATFORM":"Polar","metab.id":"M0100006115"},{"Metabolite":"ribulose/xylulose","CHEM_ID":"100006122","LIB_ID":"305","COMP_ID":"54671","CHRO_LIB_ENTRY_ID":"180863","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1281","TYPE":"NAMED","INCHIKEY":"LQXVFWRQNMEDEE-UHFFFAOYSA-N","SMILES":"OC1(CO)OCC(O)C1O","PLOT_NAME":"ribulose/xylulose","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000621,HMDB0000751,HMDB0001644,HMDB0003371","KEGG":"NA","PUBCHEM":"5,289,590,151,261","PLATFORM":"Polar","metab.id":"M0100006122"},{"Metabolite":"arabitol/xylitol","CHEM_ID":"100006430","LIB_ID":"305","COMP_ID":"48885","CHRO_LIB_ENTRY_ID":"160479","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1294","TYPE":"NAMED","INCHIKEY":"HEBKCHPVOIAQTA-IMJSIDKUSA-N","SMILES":"OC[C@@H](C([C@H](CO)O)O)O","PLOT_NAME":"arabitol/xylitol","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0001851,HMDB0000568,HMDB0002917","KEGG":"C00379,C00542,C01904","PUBCHEM":"941,546,912","PLATFORM":"Polar","metab.id":"M0100006430"},{"Metabolite":"2-hydroxybutyrate/2-hydroxyisobutyrate","CHEM_ID":"100008928","LIB_ID":"305","COMP_ID":"52281","CHRO_LIB_ENTRY_ID":"164309","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Glutathione Metabolism","PATHWAY_SORTORDER":"590","TYPE":"NAMED","INCHIKEY":"AFENDNXGAFYKQO-UHFFFAOYSA-N","SMILES":"CCC(O)C(O)=O","PLOT_NAME":"2-hydroxybutyrate/2-hydroxyisobutyrate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000729,HMDB00008","KEGG":"C21297,C05984","PUBCHEM":"4,408,644,277,439","PLATFORM":"Polar","metab.id":"M0100008928"},{"Metabolite":"isocitric lactone","CHEM_ID":"100009239","LIB_ID":"305","COMP_ID":"54724","CHRO_LIB_ENTRY_ID":"207379","SUPER_PATHWAY":"Energy","SUB_PATHWAY":"TCA Cycle","PATHWAY_SORTORDER":"1462","TYPE":"NAMED","INCHIKEY":"UKZDIMBDWHZXOK-UHFFFAOYSA-N","SMILES":"OC(C(C1)C(C(O)=O)OC1=O)=O","PLOT_NAME":"isocitric lactone","CAS":"4702-32-3","CHEMSPIDER":"88729","HMDB":"NA","KEGG":"NA","PUBCHEM":"98259","PLATFORM":"Polar","metab.id":"M0100009239"},{"Metabolite":"3-carboxyadipate","CHEM_ID":"100009325","LIB_ID":"305","COMP_ID":"54723","CHRO_LIB_ENTRY_ID":"207377","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1684","TYPE":"NAMED","INCHIKEY":"LOGBRYZYTBQBTB-UHFFFAOYSA-N","SMILES":"OC(CCC(C(O)=O)CC(O)=O)=O","PLOT_NAME":"3-carboxyadipate","CAS":"923-42-2","CHEMSPIDER":"193135","HMDB":"NA","KEGG":"NA","PUBCHEM":"222467","PLATFORM":"Polar","metab.id":"M0100009325"},{"Metabolite":"ascorbic acid 2-sulfate","CHEM_ID":"100009329","LIB_ID":"305","COMP_ID":"63590","CHRO_LIB_ENTRY_ID":"222872","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4369","TYPE":"NAMED","INCHIKEY":"SKKZOYBAANIUOV-ZAFYKAAXSA-N","SMILES":"O[C@@H](CO)[C@@](C1=O)([H])OC(O)=C1OS(O)(=O)=O","PLOT_NAME":"ascorbic acid 2-sulfate","CAS":"52174-99-9","CHEMSPIDER":"77998","HMDB":"HMDB0060649","KEGG":"NA","PUBCHEM":"54676864","PLATFORM":"Polar","metab.id":"M0100009329"},{"Metabolite":"caffeic acid sulfate","CHEM_ID":"100009337","LIB_ID":"305","COMP_ID":"53254","CHRO_LIB_ENTRY_ID":"179431","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Food Component/Plant","PATHWAY_SORTORDER":"5226","TYPE":"NAMED","INCHIKEY":"SNVAIAITQIIEMQ-DUXPYHPUSA-N","SMILES":"OS(OC1=CC=C(C=C1O)/C=C/C(O)=O)(=O)=O","PLOT_NAME":"caffeic acid sulfate","CAS":"NA","CHEMSPIDER":"30777608","HMDB":"HMDB0041708","KEGG":"NA","PUBCHEM":"21668705","PLATFORM":"Polar","metab.id":"M0100009337"},{"Metabolite":"perfluorooctanesulfonate (PFOS)","CHEM_ID":"100010955","LIB_ID":"305","COMP_ID":"57564","CHRO_LIB_ENTRY_ID":"211466","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6221","TYPE":"NAMED","INCHIKEY":"YFSUTJLHUFNCNZ-UHFFFAOYSA-N","SMILES":"O=S(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(O)=O","PLOT_NAME":"perfluorooctanesulfonate (PFOS)","CAS":"1763-23-1","CHEMSPIDER":"67068","HMDB":"HMDB0059586","KEGG":"C18142","PUBCHEM":"74483","PLATFORM":"Polar","metab.id":"M0100010955"},{"Metabolite":"lyxonate","CHEM_ID":"100019968","LIB_ID":"305","COMP_ID":"61858","CHRO_LIB_ENTRY_ID":"218556","SUPER_PATHWAY":"Carbohydrate","SUB_PATHWAY":"Pentose Metabolism","PATHWAY_SORTORDER":"1307","TYPE":"NAMED","INCHIKEY":"QXKAIJAYHKCRRA-PZGQECOJSA-N","SMILES":"OC[C@H](O)[C@@H](O)[C@@H](O)C(O)=O","PLOT_NAME":"lyxonate","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0060255","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Polar","metab.id":"M0100019968"},{"Metabolite":"heptenedioate (C7:1-DC)*","CHEM_ID":"100019981","LIB_ID":"305","COMP_ID":"61866","CHRO_LIB_ENTRY_ID":"218583","SUPER_PATHWAY":"Lipid","SUB_PATHWAY":"Fatty Acid, Dicarboxylate","PATHWAY_SORTORDER":"1692","TYPE":"NAMED","INCHIKEY":"OXQWBLJQOBXJPM-DUXPYHPUSA-N","SMILES":"OC(CCC/C=C/C(O)=O)=O","PLOT_NAME":"heptenedioate (C7:1-DC)*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Polar","metab.id":"M0100019981"},{"Metabolite":"2,2''-methylenebis(6-tert-butyl-p-cresol)","CHEM_ID":"100020373","LIB_ID":"305","COMP_ID":"62885","CHRO_LIB_ENTRY_ID":"220735","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6277","TYPE":"NAMED","INCHIKEY":"KGRVJHAUYBGFFP-UHFFFAOYSA-N","SMILES":"CC1=CC(C(C)(C)C)=C(C(CC2=C(C(C(C)(C)C)=CC(C)=C2)O)=C1)O","PLOT_NAME":"2,2''-methylenebis(6-tert-butyl-p-cresol)","CAS":"119-47-1","CHEMSPIDER":"8092","HMDB":"NA","KEGG":"NA","PUBCHEM":"8398","PLATFORM":"Polar","metab.id":"M0100020373"},{"Metabolite":"ascorbic acid 3-sulfate*","CHEM_ID":"100020409","LIB_ID":"305","COMP_ID":"63687","CHRO_LIB_ENTRY_ID":"223113","SUPER_PATHWAY":"Cofactors and Vitamins","SUB_PATHWAY":"Ascorbate and Aldarate Metabolism","PATHWAY_SORTORDER":"4370","TYPE":"NAMED","INCHIKEY":"FBFZPSQPKNIVMT-ZAFYKAAXSA-N","SMILES":"O=C1O[C@@]([C@@H](O)CO)([H])C(OS(=O)(O)=O)=C1O","PLOT_NAME":"ascorbic acid 3-sulfate*","CAS":"NA","CHEMSPIDER":"9600241","HMDB":"NA","KEGG":"NA","PUBCHEM":"11425365","PLATFORM":"Polar","metab.id":"M0100020409"},{"Metabolite":"succinoyltaurine","CHEM_ID":"100021220","LIB_ID":"305","COMP_ID":"63678","CHRO_LIB_ENTRY_ID":"223092","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"482","TYPE":"NAMED","INCHIKEY":"SBQWITJAJITAMM-UHFFFAOYSA-N","SMILES":"OC(CCC(NCCS(=O)(O)=O)=O)=O","PLOT_NAME":"succinoyltaurine","CAS":"NA","CHEMSPIDER":"20509456","HMDB":"NA","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Polar","metab.id":"M0100021220"},{"Metabolite":"2-hydroxy-4-(methylthio)butanoic acid","CHEM_ID":"100021372","LIB_ID":"305","COMP_ID":"63739","CHRO_LIB_ENTRY_ID":"223275","SUPER_PATHWAY":"Amino Acid","SUB_PATHWAY":"Methionine, Cysteine, SAM and Taurine Metabolism","PATHWAY_SORTORDER":"455","TYPE":"NAMED","INCHIKEY":"ONFOSYPQQXJWGS-UHFFFAOYSA-N","SMILES":"CSCCC(O)C(O)=O","PLOT_NAME":"2-hydroxy-4-(methylthio)butanoic acid","CAS":"583-91-5","CHEMSPIDER":"NA","HMDB":"HMDB0037115","KEGG":"NA","PUBCHEM":"11427","PLATFORM":"Polar","metab.id":"M0100021372"},{"Metabolite":"pentose acid*","CHEM_ID":"100021467","LIB_ID":"305","COMP_ID":"63264","CHRO_LIB_ENTRY_ID":"222194","SUPER_PATHWAY":"Partially Characterized Molecules","SUB_PATHWAY":"Partially Characterized Molecules","PATHWAY_SORTORDER":"6454","TYPE":"NAMED","INCHIKEY":"NA","SMILES":"NA","PLOT_NAME":"pentose acid*","CAS":"NA","CHEMSPIDER":"NA","HMDB":"HMDB0000892","KEGG":"C00803","PUBCHEM":"7991","PLATFORM":"Polar","metab.id":"M0100021467"},{"Metabolite":"perfluorohexanesulfonate (PFHxS)","CHEM_ID":"100022172","LIB_ID":"305","COMP_ID":"64623","CHRO_LIB_ENTRY_ID":"239195","SUPER_PATHWAY":"Xenobiotics","SUB_PATHWAY":"Chemical","PATHWAY_SORTORDER":"6379","TYPE":"NAMED","INCHIKEY":"QZHDEAJFRJCDMF-UHFFFAOYSA-N","SMILES":"FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(O)=O","PLOT_NAME":"perfluorohexanesulfonate (PFHxS)","CAS":"355-46-4","CHEMSPIDER":"NA","HMDB":"HMDB0094700","KEGG":"NA","PUBCHEM":"NA","PLATFORM":"Polar","metab.id":"M0100022172"}]
}

}