{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001961","ANALYSIS_ID":"AN003196","VERSION":"1","CREATED_ON":"October 26, 2021, 5:21 pm"},

"PROJECT":{"PROJECT_TITLE":"Metabolomics of brown adipose tissue in murine heart failure model","PROJECT_TYPE":"untargeted CE-TOF/MS metabolomic profiling","PROJECT_SUMMARY":"Brown adipose tissue (BAT) was initially characterised as a thermogenic organ, and recent studies have suggested it plays a crucial role in maintaining systemic metabolic health. In this project, we demonstrated that alteration of BAT function contributes to development of heart failure through disorientation in choline metabolism. To analyze the changes of metabolites, we conducted the CE-TOF/MS analysis using BAT from TAC (thoracic aortic constriction) or sham-operated mice. In BAT from TAC-operated mice, we found increase of choline and glycerophosphorylcholine and a decrease of phosphorylcholine, suggesting that BAT dysfunction induces the disorientation of choline metabolism.","INSTITUTE":"Juntendo University","DEPARTMENT":"Department of Cardiovascular Biology and Medicine","LAST_NAME":"Yoshida","FIRST_NAME":"Yohko","ADDRESS":"2-1-1, Hongo, Bunkyo-ku, Tokyo, Tokyo, 1138421, Japan","EMAIL":"yohko105@yahoo.co.jp","PHONE":"+81-3-3813-3111"},

"STUDY":{"STUDY_TITLE":"Metabolomics of brown adipose tissue in murine heart failure model","STUDY_TYPE":"untargeted CE-TOF/MS metabolomic profiling","STUDY_SUMMARY":"Brown adipose tissue (BAT) was initially characterised as a thermogenic organ, and recent studies have suggested it plays a crucial role in maintaining systemic metabolic health. In this project, we demonstrated that alteration of BAT function contributes to development of heart failure through disorientation in choline metabolism. To analyze the changes of metabolites, we conducted the CE-TOF/MS analysis using BAT from TAC (thoracic aortic constriction) or sham-operated mice. In BAT from TAC-operated mice, we found increase of choline and glycerophosphorylcholine and a decrease of phosphorylcholine, suggesting that BAT dysfunction induces the disorientation of choline metabolism.","INSTITUTE":"Juntendo University","DEPARTMENT":"Department of Cardiovascular Biology and Medicine","LAST_NAME":"Yoshida","FIRST_NAME":"Yohko","ADDRESS":"2-1-1, Hongo, Bunkyo-ku, Tokyo, Tokyo, 1138421, Japan","EMAIL":"yohko105@yahoo.co.jp","PHONE":"+81-3-3813-3111"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"-",
"Factors":{"Group":"-"},
"Additional sample data":{"Organ":"-","RAW_FILE_NAME":"Anion","RAW_FILE_NAME":"Cation"}
},
{
"Subject ID":"-",
"Sample ID":"1B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"1 B.d","RAW_FILE_NAME":"B1.d"}
},
{
"Subject ID":"-",
"Sample ID":"2B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"2 B.d","RAW_FILE_NAME":"B2.d"}
},
{
"Subject ID":"-",
"Sample ID":"3B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"3 B.d","RAW_FILE_NAME":"B3.d"}
},
{
"Subject ID":"-",
"Sample ID":"4B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"4 B.d","RAW_FILE_NAME":"B4.d"}
},
{
"Subject ID":"-",
"Sample ID":"6B",
"Factors":{"Group":"Sham-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"6 B.d","RAW_FILE_NAME":"B6.d"}
},
{
"Subject ID":"-",
"Sample ID":"7B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"7 B.d","RAW_FILE_NAME":"B7.d"}
},
{
"Subject ID":"-",
"Sample ID":"9B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"9 B.d","RAW_FILE_NAME":"B9.d"}
},
{
"Subject ID":"-",
"Sample ID":"10B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"10 B.d","RAW_FILE_NAME":"B10.d"}
},
{
"Subject ID":"-",
"Sample ID":"11B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"11 B.d","RAW_FILE_NAME":"B11.d"}
},
{
"Subject ID":"-",
"Sample ID":"12B",
"Factors":{"Group":"TAC-operated"},
"Additional sample data":{"Organ":"mouse brown adipose tissue (BAT)","RAW_FILE_NAME":"12 B.d","RAW_FILE_NAME":"B12.d"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Brown adipose tissue (BAT) was excised from the mice and immediately frozen in liquid nitrogen.","SAMPLE_TYPE":"Adipose tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"All mice were randomly allocated for surgical procedures under blinded condition. Thoracic aortic constriction (TAC) was performed in 11-week-old male mice, and sample was collected 2 weeks after surgery. Sham-operated mice underwent the same procedures, except for aortic constriction."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"To extract metabolites, 40~50mg snap-frozen samples were completely homogenized by Shake Master NEO (Bio Medical Science) in 500uL of methanol containing L-methionine sulfone (Wako 502-76641), methionine sulfone (MES, Dojindo 349-01623), and D-camphor-10-sulfonic acid sodium salt (CSA, Wako 037-01032) (all at 20 μM). After adding CHCl3 (500 μl) and distilled water (200 μl) with thorough mixing, centrifugation was performed at 4,600g for 15 min at 4°C. Then the aqueous layer (300 μl) was collected and transferred to a 5-kDa cutoff filter (UltrafreeMC-PLHCC; Human Metabolome Technologies, UFC3LCCNB-HMT). Centrifugation was performed at 9,100g for 3 hours at 20°C, after which the filtrate was centrifugally concentrated and dissolved in 50μl distilled water containing reference compounds (200 μM each of 3-aminopyrrolidine and trimesate)."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"None (Direct infusion)","INSTRUMENT_NAME":"none","COLUMN_NAME":"none"},

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

"MS":{"INSTRUMENT_NAME":"Agilent 6224 TOF","INSTRUMENT_TYPE":"Single quadrupole","MS_TYPE":"ESI","ION_MODE":"NEGATIVE","MS_COMMENTS":"Automatic recalibration of each acquired spectrum was performed using reference masses of reference standards ([13C isotopic ion of deprotonated acetic acid dimer (2CH3COOH - H)]-, m/z 120.03841), and ([Hexakis + deprotonated acetic acid (CH3COOH - H)]-, m/z 680.03554). Exact mass data were acquired at a rate of 1.5 spectra/s over a 50-1000 m/z range. Raw CE-TOFMS data were processed using Master Hands ver. 2.17.0.8 software for the quantification of metabolites."},

"MS_METABOLITE_DATA":{
"Units":"nmol/g",

"Data":[{"Metabolite":"G1P","1B":"11","2B":"7.9","3B":"4.8","4B":"9.4","6B":"3.9","7B":"4.6","9B":"3.4","10B":"1.5","11B":"6.6","12B":"3.3"},{"Metabolite":"G6P","1B":"203","2B":"75","3B":"44","4B":"149","6B":"26","7B":"47","9B":"7.5","10B":"5.4","11B":"99","12B":"6.2"},{"Metabolite":"F6P","1B":"36","2B":"14","3B":"10","4B":"24","6B":"6.0","7B":"7.7","9B":"1.8","10B":"N.D.","11B":"20","12B":"2.2"},{"Metabolite":"F1,6P","1B":"54","2B":"62","3B":"30","4B":"48","6B":"34","7B":"24","9B":"38","10B":"29","11B":"42","12B":"30"},{"Metabolite":"DHAP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Glycerophosphate","1B":"459","2B":"588","3B":"302","4B":"394","6B":"477","7B":"299","9B":"499","10B":"454","11B":"472","12B":"449"},{"Metabolite":"G3P","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2,3-DPG","1B":"44","2B":"79","3B":"30","4B":"34","6B":"70","7B":"36","9B":"70","10B":"39","11B":"52","12B":"59"},{"Metabolite":"3PG","1B":"41","2B":"23","3B":"17","4B":"18","6B":"23","7B":"14","9B":"24","10B":"17","11B":"20","12B":"26"},{"Metabolite":"2PG","1B":"9.0","2B":"5.1","3B":"2.0","4B":"3.9","6B":"N.D.","7B":"2.7","9B":"N.D.","10B":"N.D.","11B":"3.8","12B":"N.D."},{"Metabolite":"PEP","1B":"4.3","2B":"2.3","3B":"2.0","4B":"N.D.","6B":"2.7","7B":"2.2","9B":"2.2","10B":"N.D.","11B":"2.4","12B":"N.D."},{"Metabolite":"Pyruvate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Lactate","1B":"4145","2B":"2803","3B":"2465","4B":"2807","6B":"2472","7B":"2462","9B":"3010","10B":"2314","11B":"2479","12B":"2593"},{"Metabolite":"Glucosamine 6-phosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Acetyl CoA","1B":"28","2B":"22","3B":"13","4B":"18","6B":"18","7B":"12","9B":"17","10B":"11","11B":"22","12B":"16"},{"Metabolite":"Citrate","1B":"279","2B":"159","3B":"171","4B":"168","6B":"158","7B":"156","9B":"197","10B":"134","11B":"150","12B":"172"},{"Metabolite":"cis-Aconitate","1B":"11","2B":"7.8","3B":"7.7","4B":"8.4","6B":"7.7","7B":"7.2","9B":"8.2","10B":"6.0","11B":"7.4","12B":"7.7"},{"Metabolite":"Isocitrate","1B":"38","2B":"33","3B":"29","4B":"27","6B":"29","7B":"30","9B":"28","10B":"19","11B":"26","12B":"23"},{"Metabolite":"2-Oxoglutarate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Hydroxyglutarate","1B":"17","2B":"7.5","3B":"16","4B":"11","6B":"18","7B":"8.6","9B":"11","10B":"12","11B":"7.4","12B":"14"},{"Metabolite":"Succinyl CoA","1B":"2.2","2B":"1.7","3B":"N.D.","4B":"2.2","6B":"3.2","7B":"2.2","9B":"4.7","10B":"N.D.","11B":"1.5","12B":"N.D."},{"Metabolite":"Succinate","1B":"981","2B":"879","3B":"945","4B":"774","6B":"1007","7B":"739","9B":"669","10B":"450","11B":"646","12B":"773"},{"Metabolite":"Fumarate","1B":"182","2B":"104","3B":"117","4B":"103","6B":"127","7B":"126","9B":"158","10B":"122","11B":"64","12B":"107"},{"Metabolite":"Malate","1B":"500","2B":"300","3B":"381","4B":"339","6B":"417","7B":"377","9B":"397","10B":"280","11B":"201","12B":"246"},{"Metabolite":"6-Phosphogluconate","1B":"4.0","2B":"4.3","3B":"3.2","4B":"3.7","6B":"3.9","7B":"3.6","9B":"3.8","10B":"N.D.","11B":"4.4","12B":"3.4"},{"Metabolite":"Ru5P","1B":"46","2B":"54","3B":"41","4B":"35","6B":"49","7B":"37","9B":"61","10B":"43","11B":"43","12B":"55"},{"Metabolite":"R5P","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"S7P","1B":"7.5","2B":"7.0","3B":"6.6","4B":"5.6","6B":"8.2","7B":"6.7","9B":"5.7","10B":"5.8","11B":"7.8","12B":"3.8"},{"Metabolite":"Glyoxylate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Propionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Glycolate","1B":"N.D.","2B":"N.D.","3B":"58","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"42","11B":"N.D.","12B":"N.D."},{"Metabolite":"Crotonate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Butanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Hydroxypropionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Methanesulfonate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Tiglate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Oxobutyrate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Pentanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Methylbutanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Malonate","1B":"5.3","2B":"4.6","3B":"2.9","4B":"2.5","6B":"6.3","7B":"20","9B":"6.7","10B":"5.1","11B":"7.1","12B":"5.2"},{"Metabolite":"2-Hydroxyisobutyrate","1B":"2.7","2B":"4.1","3B":"3.7","4B":"2.5","6B":"4.5","7B":"2.9","9B":"3.8","10B":"2.5","11B":"4.5","12B":"3.6"},{"Metabolite":"2-Hydroxybutyrate","1B":"7.1","2B":"4.1","3B":"N.D.","4B":"4.8","6B":"7.9","7B":"6.1","9B":"8.6","10B":"5.5","11B":"7.2","12B":"5.6"},{"Metabolite":"3-Hydroxybutyrate","1B":"202","2B":"153","3B":"139","4B":"141","6B":"235","7B":"233","9B":"251","10B":"213","11B":"272","12B":"230"},{"Metabolite":"(Methylthio)acetate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Glycerate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Pyrrole-2-carboxylate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Methyl sulfate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Furoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Acetylacrylate","1B":"","2B":"","3B":"","4B":"","6B":"","7B":"","9B":"","10B":"","11B":"","12B":""},{"Metabolite":"2-Oxoisopentanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"4-Oxopentanoate","1B":"7.8","2B":"9.3","3B":"8.8","4B":"7.7","6B":"11","7B":"9.6","9B":"8.9","10B":"9.1","11B":"8.2","12B":"9.1"},{"Metabolite":"Hexanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"4.4","7B":"3.2","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Hydroxypentanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Benzoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Nicotinate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"1-Aminoethylphosphonate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Aminoethylphosphonate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Isethionate","1B":"3.4","2B":"2.0","3B":"2.0","4B":"3.5","6B":"3.2","7B":"N.D.","9B":"2.5","10B":"N.D.","11B":"N.D.","12B":"2.5"},{"Metabolite":"Barbiturate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"5-Oxoproline","1B":"66","2B":"16","3B":"19","4B":"17","6B":"23","7B":"14","9B":"27","10B":"14","11B":"18","12B":"18"},{"Metabolite":"Itaconate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Citraconate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"4-Methyl-2-oxopentanoate","1B":"6.6","2B":"1.7","3B":"3.0","4B":"2.6","6B":"3.5","7B":"2.3","9B":"2.1","10B":"2.4","11B":"2.4","12B":"3.8"},{"Metabolite":"4-Oxohexanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"4-Acetylbutyrate","1B":"2.7","2B":"N.D.","3B":"2.1","4B":"2.5","6B":"2.9","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"3.1","12B":"N.D."},{"Metabolite":"Heptanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"3.0","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetyl-beta-alanine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Glutarate","1B":"4.8","2B":"4.2","3B":"4.0","4B":"4.3","6B":"4.0","7B":"8.1","9B":"6.6","10B":"5.7","11B":"4.5","12B":"5.1"},{"Metabolite":"3-Ureidopropionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Hydroxy-4-methylpentanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"6-Hydroxyhexanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Threonate","1B":"105","2B":"151","3B":"124","4B":"124","6B":"177","7B":"126","9B":"104","10B":"89","11B":"136","12B":"123"},{"Metabolite":"o-Hydroxybenzoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"p-Hydroxybenzoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"m-Hydroxybenzoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Phosphonoacetate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Carbamoylphosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Ethanolamine phosphate","1B":"320","2B":"284","3B":"265","4B":"249","6B":"301","7B":"240","9B":"298","10B":"245","11B":"235","12B":"258"},{"Metabolite":"2-Thiopheneacetate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Octanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"1.6","6B":"3.0","7B":"4.9","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Adipate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"threo-beta-methylaspartate + Glu","1B":"705","2B":"891","3B":"484","4B":"553","6B":"754","7B":"526","9B":"589","10B":"551","11B":"762","12B":"784"},{"Metabolite":"4-Methylthio-2-oxobutyrate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Citramalate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"trans-Cinnamate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Tartrate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Benzoylformate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Phenylpropionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Hydroxyphenylacetate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"p-Hydroxyphenylacetate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Cysteine sulfinate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2,5-Dihydroxybenzoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Orotate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2,4-Dihydroxypyrimidine-5-carboxylate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Dihydroorotate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Oxooctanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Pelargonate","1B":"7.9","2B":"12","3B":"13","4B":"8.9","6B":"15","7B":"17","9B":"9.8","10B":"9.8","11B":"12","12B":"7.3"},{"Metabolite":"2-Oxoadipate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Pimelate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Hydroxyoctanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Formylaspartate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Hydroxy-3-methylglutarate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"0.74","6B":"N.D.","7B":"N.D.","9B":"1.3","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Phenylpyruvate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"p-Coumarate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"o-Coumarate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Terephthalate","1B":"2.1","2B":"2.0","3B":"1.5","4B":"1.1","6B":"1.9","7B":"2.0","9B":"2.0","10B":"1.5","11B":"2.5","12B":"1.4"},{"Metabolite":"Phthalate","1B":"1.5","2B":"0.59","3B":"N.D.","4B":"0.43","6B":"0.57","7B":"0.47","9B":"0.85","10B":"0.53","11B":"1.5","12B":"0.45"},{"Metabolite":"3-Phenyllactate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-(2-Hydroxyphenyl)propionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-(4-Hydroxyphenyl)propionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2,3-Pyridinedicarboxylate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Urate","1B":"38","2B":"25","3B":"24","4B":"30","6B":"30","7B":"25","9B":"29","10B":"27","11B":"24","12B":"34"},{"Metabolite":"4-Hydroxymandelate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Cysteate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Amino-3-phosphonopropionate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Decanoate","1B":"N.D.","2B":"2.2","3B":"3.7","4B":"1.7","6B":"4.1","7B":"3.2","9B":"N.D.","10B":"2.5","11B":"3.1","12B":"3.2"},{"Metabolite":"2-Quinolinecarboxylate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylleucine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Phenyl phosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"trans-Aconitate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Shikimate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylaspartate","1B":"26","2B":"21","3B":"10","4B":"17","6B":"16","7B":"20","9B":"32","10B":"12","11B":"12","12B":"12"},{"Metabolite":"Carbamoylaspartate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Allantoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Isopropylmalate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Formylmethionine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Hippurate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Homovanillate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"4-Pyridoxate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Serine O-sulfate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"O-Phosphoserine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Undecanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"0.67","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Azelate","1B":"4.7","2B":"2.5","3B":"2.2","4B":"2.0","6B":"3.1","7B":"2.6","9B":"3.7","10B":"2.3","11B":"2.4","12B":"1.8"},{"Metabolite":"10-Hydroxydecanoate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylglutamate","1B":"12","2B":"15","3B":"14","4B":"17","6B":"21","7B":"1.9","9B":"12","10B":"8.3","11B":"7.1","12B":"22"},{"Metabolite":"N-Carbamylglutamate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylmethionine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Quinate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Phenaceturate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Glucuronate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"trans-4-Hydroxy-3-methoxycinnamate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"o-Hydroxyhippurate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Gluconate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Syringate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"4-Hydroxy-3-methoxymandelate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Dodecanoate","1B":"11","2B":"19","3B":"19","4B":"13","6B":"22","7B":"20","9B":"15","10B":"19","11B":"21","12B":"17"},{"Metabolite":"Cysteine S-sulfate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Sebacate","1B":"0.48","2B":"N.D.","3B":"N.D.","4B":"0.38","6B":"0.27","7B":"0.42","9B":"0.59","10B":"0.37","11B":"N.D.","12B":"N.D."},{"Metabolite":"3-Indolebutyrate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Xanthurenate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylphenylalanine","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Benzylsuccinate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Saccharate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Mucate","1B":"4.9","2B":"5.1","3B":"5.4","4B":"5.3","6B":"7.9","7B":"6.8","9B":"5.4","10B":"3.9","11B":"5.6","12B":"6.6"},{"Metabolite":"3-Indoxyl sulfate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Deoxyribose 1-phosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Pantothenate","1B":"40","2B":"41","3B":"16","4B":"14","6B":"30","7B":"39","9B":"40","10B":"35","11B":"29","12B":"20"},{"Metabolite":"Sinapate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Porphobilinogen","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Dodecanedioate","1B":"0.41","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"0.39","7B":"N.D.","9B":"0.26","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"2-Deoxyglucose 6-phosphate","1B":"2.2","2B":"2.2","3B":"N.D.","4B":"1.7","6B":"N.D.","7B":"N.D.","9B":"2.1","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Biotin","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Sorbitol 6-phosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Galacturonate 1-phosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylmuramate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylglucosamine 1-phosphate","1B":"4.1","2B":"3.1","3B":"2.4","4B":"2.1","6B":"2.7","7B":"2.8","9B":"5.1","10B":"2.9","11B":"2.6","12B":"3.0"},{"Metabolite":"N-Acetylglucosamine 6-phosphate","1B":"3.6","2B":"3.8","3B":"3.1","4B":"2.9","6B":"3.4","7B":"3.5","9B":"3.5","10B":"4.0","11B":"2.1","12B":"3.4"},{"Metabolite":"2',3'-cCMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dCMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"0.72","10B":"0.74","11B":"0.76","12B":"N.D."},{"Metabolite":"dUMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"N-Acetylneuraminate","1B":"4.0","2B":"3.5","3B":"3.1","4B":"3.1","6B":"3.5","7B":"2.7","9B":"4.9","10B":"2.6","11B":"1.5","12B":"2.5"},{"Metabolite":"Ribulose 1,5-diphosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3',5'-Cyclic dAMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dTMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"CMP","1B":"20","2B":"19","3B":"17","4B":"17","6B":"18","7B":"11","9B":"17","10B":"15","11B":"13","12B":"17"},{"Metabolite":"UMP","1B":"189","2B":"223","3B":"178","4B":"171","6B":"201","7B":"117","9B":"193","10B":"174","11B":"154","12B":"195"},{"Metabolite":"cAMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Phytate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"cIMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dAMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"cGMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"3'-AMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"AMP","1B":"1488","2B":"1555","3B":"1420","4B":"1350","6B":"1509","7B":"930","9B":"1312","10B":"1101","11B":"1012","12B":"1421"},{"Metabolite":"IMP","1B":"341","2B":"393","3B":"288","4B":"328","6B":"254","7B":"430","9B":"507","10B":"500","11B":"716","12B":"318"},{"Metabolite":"Prostaglandin E2","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Prostaglandin F2alpha","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"GMP","1B":"237","2B":"246","3B":"207","4B":"181","6B":"220","7B":"188","9B":"269","10B":"207","11B":"227","12B":"244"},{"Metabolite":"XMP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Orotidine 5'-monophosphate","1B":"2.4","2B":"1.8","3B":"N.D.","4B":"1.3","6B":"N.D.","7B":"1.5","9B":"N.D.","10B":"N.D.","11B":"1.5","12B":"1.2"},{"Metabolite":"Digalacturonate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"NADPH","1B":"62","2B":"46","3B":"39","4B":"45","6B":"45","7B":"22","9B":"48","10B":"36","11B":"24","12B":"62"},{"Metabolite":"CoA","1B":"33","2B":"33","3B":"12","4B":"14","6B":"15","7B":"15","9B":"43","10B":"23","11B":"9.1","12B":"25"},{"Metabolite":"dCDP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dUDP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"PRPP","1B":"1.5","2B":"1.2","3B":"N.D.","4B":"0.59","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"1.2","12B":"N.D."},{"Metabolite":"dTDP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"CDP","1B":"3.0","2B":"1.3","3B":"1.1","4B":"1.4","6B":"1.9","7B":"0.97","9B":"1.4","10B":"0.98","11B":"1.3","12B":"1.4"},{"Metabolite":"UDP","1B":"14","2B":"4.9","3B":"3.5","4B":"5.7","6B":"7.9","7B":"3.6","9B":"4.3","10B":"3.7","11B":"4.8","12B":"7.6"},{"Metabolite":"Cholate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dADP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"P1, P4-Di(adenosine-5') tetraphosphate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Isobutyryl CoA","1B":"4.9","2B":"4.6","3B":"3.3","4B":"3.6","6B":"4.9","7B":"4.0","9B":"3.9","10B":"2.7","11B":"4.8","12B":"3.2"},{"Metabolite":"Trehalose 6-phosphate","1B":"2.7","2B":"5.1","3B":"7.8","4B":"6.7","6B":"N.D.","7B":"N.D.","9B":"1.9","10B":"2.0","11B":"N.D.","12B":"1.7"},{"Metabolite":"Malonyl CoA","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"1.3","6B":"1.8","7B":"1.1","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Adenosine 5'-phosphosulfate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Adenosine 3',5'-diphosphate","1B":"10","2B":"17","3B":"11","4B":"12","6B":"14","7B":"5.2","9B":"13","10B":"12","11B":"8.0","12B":"8.8"},{"Metabolite":"ADP","1B":"394","2B":"240","3B":"198","4B":"252","6B":"264","7B":"177","9B":"241","10B":"182","11B":"220","12B":"220"},{"Metabolite":"IDP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Folate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"GDP","1B":"62","2B":"51","3B":"43","4B":"39","6B":"52","7B":"31","9B":"54","10B":"39","11B":"44","12B":"48"},{"Metabolite":"Adenylosuccinate","1B":"59","2B":"50","3B":"52","4B":"50","6B":"47","7B":"38","9B":"51","10B":"36","11B":"20","12B":"38"},{"Metabolite":"Glycocholate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dCTP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dUTP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dTTP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"CTP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"UTP","1B":"12","2B":"1.6","3B":"N.D.","4B":"3.4","6B":"1.3","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"1.9","12B":"1.6"},{"Metabolite":"dATP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"dITP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"ATP","1B":"640","2B":"69","3B":"44","4B":"164","6B":"96","7B":"86","9B":"66","10B":"48","11B":"79","12B":"81"},{"Metabolite":"dGTP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"ITP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"Taurocholate","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"GTP","1B":"76","2B":"48","3B":"27","4B":"28","6B":"35","7B":"21","9B":"40","10B":"26","11B":"35","12B":"30"},{"Metabolite":"XTP","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"CDP-choline","1B":"48","2B":"55","3B":"40","4B":"37","6B":"46","7B":"30","9B":"42","10B":"39","11B":"40","12B":"40"},{"Metabolite":"ADP-ribose","1B":"26","2B":"34","3B":"29","4B":"25","6B":"41","7B":"36","9B":"30","10B":"28","11B":"32","12B":"31"},{"Metabolite":"TDP-glucose","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"UDP-glucose","1B":"66","2B":"52","3B":"48","4B":"33","6B":"41","7B":"41","9B":"55","10B":"37","11B":"41","12B":"39"},{"Metabolite":"UDP-glucuronate","1B":"11","2B":"12","3B":"13","4B":"14","6B":"13","7B":"6.2","9B":"11","10B":"13","11B":"10","12B":"11"},{"Metabolite":"ADP-glucose","1B":"12","2B":"11","3B":"8.6","4B":"6.6","6B":"8.3","7B":"9.6","9B":"11","10B":"8.3","11B":"10","12B":"8.3"},{"Metabolite":"GDP-mannose","1B":"11","2B":"11","3B":"7.8","4B":"6.9","6B":"9.4","7B":"7.9","9B":"13","10B":"8.2","11B":"9.9","12B":"9.3"},{"Metabolite":"UDP-N-acetylglucosamine","1B":"97","2B":"91","3B":"77","4B":"74","6B":"87","7B":"68","9B":"84","10B":"72","11B":"70","12B":"69"},{"Metabolite":"CMP-N-acetylneuraminate","1B":"12","2B":"12","3B":"11","4B":"9.8","6B":"13","7B":"7.6","9B":"10","10B":"9.8","11B":"8.5","12B":"10"},{"Metabolite":"NAD+","1B":"603","2B":"549","3B":"464","4B":"499","6B":"605","7B":"424","9B":"556","10B":"463","11B":"484","12B":"415"},{"Metabolite":"Deamido-NAD+","1B":"N.D.","2B":"N.D.","3B":"N.D.","4B":"N.D.","6B":"N.D.","7B":"N.D.","9B":"N.D.","10B":"N.D.","11B":"N.D.","12B":"N.D."},{"Metabolite":"NADH","1B":"83","2B":"81","3B":"66","4B":"83","6B":"93","7B":"58","9B":"68","10B":"59","11B":"56","12B":"71"},{"Metabolite":"NADP+","1B":"84","2B":"91","3B":"71","4B":"74","6B":"82","7B":"48","9B":"77","10B":"54","11B":"59","12B":"69"},{"Metabolite":"FAD","1B":"88","2B":"91","3B":"73","4B":"75","6B":"82","7B":"65","9B":"93","10B":"71","11B":"69","12B":"64"}],

"Metabolites":[{"Metabolite":"G1P","RefMet name":"Glucose 1-phosphate","KEGG ID":"C00103"},{"Metabolite":"G6P","RefMet name":"Glucose 6-phosphate","KEGG ID":"C00092"},{"Metabolite":"F6P","RefMet name":"Fructose 6-phosphate","KEGG ID":"C00085"},{"Metabolite":"F1,6P","RefMet name":"Fructose 1,6-bisphosphate","KEGG ID":"C00354"},{"Metabolite":"DHAP","RefMet name":"Dihydroxyacetone phosphate","KEGG ID":"C00111"},{"Metabolite":"Glycerophosphate","RefMet name":"sn-Glycero-3-phosphate","KEGG ID":"C00093"},{"Metabolite":"G3P","RefMet name":"Glyceraldehyde 3-phosphate","KEGG ID":"C00661"},{"Metabolite":"2,3-DPG","RefMet name":"2,3-Diphosphoglyceric acid","KEGG ID":"C01159"},{"Metabolite":"3PG","RefMet name":"3-Phosphoglyceric acid","KEGG ID":"C00197"},{"Metabolite":"2PG","RefMet name":"2-Phosphoglyceric acid","KEGG ID":"C00631"},{"Metabolite":"PEP","RefMet name":"Phosphoenolpyruvic acid","KEGG ID":"C00074"},{"Metabolite":"Pyruvate","RefMet name":"Pyruvic acid","KEGG ID":"C00022"},{"Metabolite":"Lactate","RefMet name":"Lactic acid","KEGG ID":"C00186"},{"Metabolite":"Glucosamine 6-phosphate","RefMet name":"Glucosamine 6-phosphate","KEGG ID":"C00352"},{"Metabolite":"Acetyl CoA","RefMet name":"Acetyl-CoA","KEGG ID":"C00024"},{"Metabolite":"Citrate","RefMet name":"Citric acid","KEGG ID":"C00158"},{"Metabolite":"cis-Aconitate","RefMet name":"cis-Aconitic acid","KEGG ID":"C00417"},{"Metabolite":"Isocitrate","RefMet name":"Isocitric acid","KEGG ID":"C00311"},{"Metabolite":"2-Oxoglutarate","RefMet name":"Oxoglutaric acid","KEGG ID":"C00026"},{"Metabolite":"2-Hydroxyglutarate","RefMet name":"2-Hydroxyglutaric acid","KEGG ID":"C02630"},{"Metabolite":"Succinyl CoA","RefMet name":"Succinyl-CoA","KEGG ID":"C00091"},{"Metabolite":"Succinate","RefMet name":"Succinic acid","KEGG ID":"C00042"},{"Metabolite":"Fumarate","RefMet name":"Fumaric acid","KEGG ID":"C00122"},{"Metabolite":"Malate","RefMet name":"Malic acid","KEGG ID":"C00711"},{"Metabolite":"6-Phosphogluconate","RefMet name":"6-Phosphogluconic acid","KEGG ID":"C00345"},{"Metabolite":"Ru5P","RefMet name":"Ribulose 5-phosphate","KEGG ID":"C00199"},{"Metabolite":"R5P","RefMet name":"Ribose 5-phosphate","KEGG ID":"C00117"},{"Metabolite":"S7P","RefMet name":"Sedoheptulose 7-phosphate","KEGG ID":"C05382"},{"Metabolite":"Glyoxylate","RefMet name":"Glyoxylic acid","KEGG ID":"C00048"},{"Metabolite":"Propionate","RefMet name":"Propionic acid","KEGG ID":"C00163"},{"Metabolite":"Glycolate","RefMet name":"Glycolic acid","KEGG ID":"C00160"},{"Metabolite":"Crotonate","RefMet name":"Crotonic acid","KEGG ID":"C01771"},{"Metabolite":"Butanoate","RefMet name":"Butyric acid","KEGG ID":"C00246"},{"Metabolite":"3-Hydroxypropionate","RefMet name":"Hydroxypropionic acid","KEGG ID":"C01013"},{"Metabolite":"Methanesulfonate","RefMet name":"Methanesulfonic acid","KEGG ID":"C11145"},{"Metabolite":"Tiglate","RefMet name":"Tiglic acid","KEGG ID":"C08279"},{"Metabolite":"2-Oxobutyrate","RefMet name":"3-Methyl pyruvic acid","KEGG ID":"C00109"},{"Metabolite":"Pentanoate","RefMet name":"Valeric acid","KEGG ID":"C00803"},{"Metabolite":"3-Methylbutanoate","RefMet name":"Isovaleric acid","KEGG ID":"C08262"},{"Metabolite":"Malonate","RefMet name":"Malonic acid","KEGG ID":"C00383"},{"Metabolite":"2-Hydroxyisobutyrate","RefMet name":"2-Hydroxyisobutyric acid","KEGG ID":"-"},{"Metabolite":"2-Hydroxybutyrate","RefMet name":"2-Hydroxybutyric acid","KEGG ID":"C05984"},{"Metabolite":"3-Hydroxybutyrate","RefMet name":"3-Hydroxybutyric acid","KEGG ID":"C01089"},{"Metabolite":"(Methylthio)acetate","RefMet name":"(Methylthio)acetic acid","KEGG ID":"C03173"},{"Metabolite":"Glycerate","RefMet name":"Glyceric acid","KEGG ID":"C00258"},{"Metabolite":"Pyrrole-2-carboxylate","RefMet name":"Pyrrole-2-carboxylic acid","KEGG ID":"C05942"},{"Metabolite":"Methyl sulfate","RefMet name":"Methyl sulfate","KEGG ID":"C02704"},{"Metabolite":"2-Furoate","RefMet name":"2-Furoic acid","KEGG ID":"C01546"},{"Metabolite":"3-Acetylacrylate","RefMet name":"-","KEGG ID":"C07091"},{"Metabolite":"2-Oxoisopentanoate","RefMet name":"Ketoisovaleric acid","KEGG ID":"C00141"},{"Metabolite":"4-Oxopentanoate","RefMet name":"Levulinic acid","KEGG ID":"-"},{"Metabolite":"Hexanoate","RefMet name":"Caproic acid","KEGG ID":"C01585"},{"Metabolite":"2-Hydroxypentanoate","RefMet name":"2-Hydroxyvaleric acid","KEGG ID":"-"},{"Metabolite":"Benzoate","RefMet name":"Benzoic acid","KEGG ID":"C00180"},{"Metabolite":"Nicotinate","RefMet name":"Nicotinic acid","KEGG ID":"C00253"},{"Metabolite":"1-Aminoethylphosphonate","RefMet name":"-","KEGG ID":"C03782"},{"Metabolite":"2-Aminoethylphosphonate","RefMet name":"Ciliatine","KEGG ID":"C03557"},{"Metabolite":"Isethionate","RefMet name":"2-Hydroxyethanesulfonate","KEGG ID":"C05123"},{"Metabolite":"Barbiturate","RefMet name":"Barbituric acid","KEGG ID":"C00813"},{"Metabolite":"5-Oxoproline","RefMet name":"Pyroglutamic acid","KEGG ID":"C01879"},{"Metabolite":"Itaconate","RefMet name":"Itaconic acid","KEGG ID":"C00490"},{"Metabolite":"Citraconate","RefMet name":"Citraconic acid","KEGG ID":"C02226"},{"Metabolite":"4-Methyl-2-oxopentanoate","RefMet name":"Ketoleucine","KEGG ID":"C00233"},{"Metabolite":"4-Oxohexanoate","RefMet name":"-","KEGG ID":"-"},{"Metabolite":"4-Acetylbutyrate","RefMet name":"5-Ketocaproic acid","KEGG ID":"C02129"},{"Metabolite":"Heptanoate","RefMet name":"Heptylic acid","KEGG ID":"C17714"},{"Metabolite":"N-Acetyl-beta-alanine","RefMet name":"N-Acetyl-beta-alanine","KEGG ID":"C01073"},{"Metabolite":"Glutarate","RefMet name":"Glutaric acid","KEGG ID":"C00489"},{"Metabolite":"3-Ureidopropionate","RefMet name":"Ureidopropionic acid","KEGG ID":"C02642"},{"Metabolite":"2-Hydroxy-4-methylpentanoate","RefMet name":"2-Hydroxyisocaproic acid","KEGG ID":"C03264"},{"Metabolite":"6-Hydroxyhexanoate","RefMet name":"2-Hydroxyhexanoic acid","KEGG ID":"C06103"},{"Metabolite":"Threonate","RefMet name":"Threonic acid","KEGG ID":"C01620"},{"Metabolite":"o-Hydroxybenzoate","RefMet name":"Salicylic acid","KEGG ID":"C00805"},{"Metabolite":"p-Hydroxybenzoate","RefMet name":"4-Hydroxybenzoic acid","KEGG ID":"C00156"},{"Metabolite":"m-Hydroxybenzoate","RefMet name":"3-Hydroxybenzoic acid","KEGG ID":"C00587"},{"Metabolite":"Phosphonoacetate","RefMet name":"Phosphonoacetate","KEGG ID":"C05682"},{"Metabolite":"Carbamoylphosphate","RefMet name":"Carbamoylphosphate","KEGG ID":"C00169"},{"Metabolite":"Ethanolamine phosphate","RefMet name":"Phosphoethanolamine","KEGG ID":"C00346"},{"Metabolite":"2-Thiopheneacetate","RefMet name":"2-Thienylacetic acid","KEGG ID":"C02595"},{"Metabolite":"Octanoate","RefMet name":"Caprylic acid","KEGG ID":"C06423"},{"Metabolite":"Adipate","RefMet name":"Adipic acid","KEGG ID":"C06104"},{"Metabolite":"threo-beta-methylaspartate + Glu","RefMet name":"-","KEGG ID":"C03618"},{"Metabolite":"4-Methylthio-2-oxobutyrate","RefMet name":"2-Oxo-4-methylthiobutanoic acid","KEGG ID":"C01180"},{"Metabolite":"Citramalate","RefMet name":"Citramalic acid","KEGG ID":"C02614"},{"Metabolite":"trans-Cinnamate","RefMet name":"trans-Cinnamic acid","KEGG ID":"C00423"},{"Metabolite":"Tartrate","RefMet name":"Tartaric acid","KEGG ID":"C00898"},{"Metabolite":"Benzoylformate","RefMet name":"Phenylglyoxylic acid","KEGG ID":"C02137"},{"Metabolite":"3-Phenylpropionate","RefMet name":"Hydrocinnamic acid","KEGG ID":"C05629"},{"Metabolite":"2-Hydroxyphenylacetate","RefMet name":"2-Hydroxyphenylacetic acid","KEGG ID":"C05852"},{"Metabolite":"p-Hydroxyphenylacetate","RefMet name":"p-Hydroxyphenylacetic acid","KEGG ID":"C00642"},{"Metabolite":"Cysteine sulfinate","RefMet name":"3-Sulfino-alanine","KEGG ID":"C00606"},{"Metabolite":"2,5-Dihydroxybenzoate","RefMet name":"Gentisic acid","KEGG ID":"C00628"},{"Metabolite":"Orotate","RefMet name":"Orotic acid","KEGG ID":"C00295"},{"Metabolite":"2,4-Dihydroxypyrimidine-5-carboxylate","RefMet name":"Uracil-5-carboxylic acid","KEGG ID":"C03030"},{"Metabolite":"Dihydroorotate","RefMet name":"4,5-Dihydroorotic acid","KEGG ID":"C00337"},{"Metabolite":"2-Oxooctanoate","RefMet name":"-","KEGG ID":"-"},{"Metabolite":"Pelargonate","RefMet name":"Pelargonic acid","KEGG ID":"C01601"},{"Metabolite":"2-Oxoadipate","RefMet name":"Oxoadipic acid","KEGG ID":"C00322"},{"Metabolite":"Pimelate","RefMet name":"Pimelic acid","KEGG ID":"C02656"},{"Metabolite":"2-Hydroxyoctanoate","RefMet name":"2-Hydroxyoctanoic acid","KEGG ID":"-"},{"Metabolite":"N-Formylaspartate","RefMet name":"N-Formyl-aspartic acid","KEGG ID":"C01044"},{"Metabolite":"3-Hydroxy-3-methylglutarate","RefMet name":"3-Hydroxymethylglutaric acid","KEGG ID":"C03761"},{"Metabolite":"Phenylpyruvate","RefMet name":"Phenylpyruvic acid","KEGG ID":"C00166"},{"Metabolite":"p-Coumarate","RefMet name":"trans-p-Coumaric acid","KEGG ID":"C00811"},{"Metabolite":"o-Coumarate","RefMet name":"trans-o-Coumaric acid","KEGG ID":"C01772"},{"Metabolite":"Terephthalate","RefMet name":"Terephthalic acid","KEGG ID":"C06337"},{"Metabolite":"Phthalate","RefMet name":"Phthalic acid","KEGG ID":"C01606"},{"Metabolite":"3-Phenyllactate","RefMet name":"Phenyllactic acid","KEGG ID":"C05607"},{"Metabolite":"3-(2-Hydroxyphenyl)propionate","RefMet name":"3-(2-Hydroxyphenyl)propanoic acid","KEGG ID":"C01198"},{"Metabolite":"3-(4-Hydroxyphenyl)propionate","RefMet name":"Desaminotyrosine","KEGG ID":"C01744"},{"Metabolite":"2,3-Pyridinedicarboxylate","RefMet name":"Quinolinic acid","KEGG ID":"C03722"},{"Metabolite":"Urate","RefMet name":"Uric acid","KEGG ID":"C00366"},{"Metabolite":"4-Hydroxymandelate","RefMet name":"4-Hydroxymandelic acid","KEGG ID":"C11527"},{"Metabolite":"Cysteate","RefMet name":"Cysteic acid","KEGG ID":"C00506"},{"Metabolite":"2-Amino-3-phosphonopropionate","RefMet name":"-","KEGG ID":"C05672"},{"Metabolite":"Decanoate","RefMet name":"Capric acid","KEGG ID":"C01571"},{"Metabolite":"2-Quinolinecarboxylate","RefMet name":"Quinaldic acid","KEGG ID":"C06325"},{"Metabolite":"N-Acetylleucine","RefMet name":"N-Acetylleucine","KEGG ID":"C02710"},{"Metabolite":"Phenyl phosphate","RefMet name":"Phenyl phosphate","KEGG ID":"C02734"},{"Metabolite":"trans-Aconitate","RefMet name":"trans-Aconitic acid","KEGG ID":"C02341"},{"Metabolite":"Shikimate","RefMet name":"Shikimic acid","KEGG ID":"C00493"},{"Metabolite":"N-Acetylaspartate","RefMet name":"N-Acetylaspartic acid","KEGG ID":"C01042"},{"Metabolite":"Carbamoylaspartate","RefMet name":"Carbamoylaspartate","KEGG ID":"C00438"},{"Metabolite":"Allantoate","RefMet name":"Allantoic acid","KEGG ID":"C00499"},{"Metabolite":"2-Isopropylmalate","RefMet name":"2-Isopropylmalic acid","KEGG ID":"C02504"},{"Metabolite":"N-Formylmethionine","RefMet name":"N-Formylmethionine","KEGG ID":"C03145"},{"Metabolite":"Hippurate","RefMet name":"Hippuric acid","KEGG ID":"C01586"},{"Metabolite":"Homovanillate","RefMet name":"Homovanillic acid","KEGG ID":"C05582"},{"Metabolite":"4-Pyridoxate","RefMet name":"4-Pyridoxic acid","KEGG ID":"C00847"},{"Metabolite":"Serine O-sulfate","RefMet name":"Serine-O-sulfate","KEGG ID":"C02703"},{"Metabolite":"O-Phosphoserine","RefMet name":"Phosphoserine","KEGG ID":"C01005"},{"Metabolite":"Undecanoate","RefMet name":"Undecylic acid","KEGG ID":"C17715"},{"Metabolite":"Azelate","RefMet name":"Azelaic acid","KEGG ID":"C08261"},{"Metabolite":"10-Hydroxydecanoate","RefMet name":"10-Hydroxydecanoic acid","KEGG ID":"C02774"},{"Metabolite":"N-Acetylglutamate","RefMet name":"N-Acetylglutamic acid","KEGG ID":"C00624"},{"Metabolite":"N-Carbamylglutamate","RefMet name":"Carglumic acid","KEGG ID":"C05829"},{"Metabolite":"N-Acetylmethionine","RefMet name":"N-Acetylmethionine","KEGG ID":"C02712"},{"Metabolite":"Quinate","RefMet name":"Quinic acid","KEGG ID":"C00296"},{"Metabolite":"Phenaceturate","RefMet name":"Phenylacetylglycine","KEGG ID":"C05598"},{"Metabolite":"Glucuronate","RefMet name":"Glucuronic acid","KEGG ID":"C00191"},{"Metabolite":"trans-4-Hydroxy-3-methoxycinnamate","RefMet name":"trans-Ferulic acid","KEGG ID":"C01494"},{"Metabolite":"o-Hydroxyhippurate","RefMet name":"Salicyluric acid","KEGG ID":"C07588"},{"Metabolite":"Gluconate","RefMet name":"Gluconic acid","KEGG ID":"C00257"},{"Metabolite":"Syringate","RefMet name":"Syringic acid","KEGG ID":"C10833"},{"Metabolite":"4-Hydroxy-3-methoxymandelate","RefMet name":"Vanillylmandelic acid","KEGG ID":"C05584"},{"Metabolite":"Dodecanoate","RefMet name":"Lauric acid","KEGG ID":"C02679"},{"Metabolite":"Cysteine S-sulfate","RefMet name":"Cysteine-S-sulfate","KEGG ID":"C05824"},{"Metabolite":"Sebacate","RefMet name":"Sebacic acid","KEGG ID":"C08277"},{"Metabolite":"3-Indolebutyrate","RefMet name":"3-Indolebutyric acid","KEGG ID":"C11284"},{"Metabolite":"Xanthurenate","RefMet name":"Xanthurenic acid","KEGG ID":"C02470"},{"Metabolite":"N-Acetylphenylalanine","RefMet name":"N-Acetylphenylalanine","KEGG ID":"C03519"},{"Metabolite":"Benzylsuccinate","RefMet name":"(R)-2-Benzylsuccinic acid","KEGG ID":"C09816"},{"Metabolite":"Saccharate","RefMet name":"Glucaric acid","KEGG ID":"C00818"},{"Metabolite":"Mucate","RefMet name":"Galactaric acid","KEGG ID":"C00879"},{"Metabolite":"3-Indoxyl sulfate","RefMet name":"Indoxyl sulfate","KEGG ID":"-"},{"Metabolite":"2-Deoxyribose 1-phosphate","RefMet name":"-","KEGG ID":"C00672"},{"Metabolite":"Pantothenate","RefMet name":"Pantothenic acid","KEGG ID":"C00864"},{"Metabolite":"Sinapate","RefMet name":"Sinapic acid","KEGG ID":"C00482"},{"Metabolite":"Porphobilinogen","RefMet name":"Porphobilinogen","KEGG ID":"C00931"},{"Metabolite":"Dodecanedioate","RefMet name":"Dodecanedioic acid","KEGG ID":"C02678"},{"Metabolite":"2-Deoxyglucose 6-phosphate","RefMet name":"-","KEGG ID":"C06369"},{"Metabolite":"Biotin","RefMet name":"Biotin","KEGG ID":"C00120"},{"Metabolite":"Sorbitol 6-phosphate","RefMet name":"-","KEGG ID":"C01096"},{"Metabolite":"Galacturonate 1-phosphate","RefMet name":"-","KEGG ID":"C04037"},{"Metabolite":"N-Acetylmuramate","RefMet name":"N-Acetylmuramic acid","KEGG ID":"C02713"},{"Metabolite":"N-Acetylglucosamine 1-phosphate","RefMet name":"N-Acetyl-D-glucosamine 1-phosphate","KEGG ID":"C04501"},{"Metabolite":"N-Acetylglucosamine 6-phosphate","RefMet name":"N-Acetylglucosamine 6-phosphate","KEGG ID":"C00357"},{"Metabolite":"2',3'-cCMP","RefMet name":"2',3' cyclic CMP","KEGG ID":"C02354"},{"Metabolite":"dCMP","RefMet name":"dCMP","KEGG ID":"C00239"},{"Metabolite":"dUMP","RefMet name":"dUMP","KEGG ID":"C00365"},{"Metabolite":"N-Acetylneuraminate","RefMet name":"N-Acetyl-alpha-neuraminic acid","KEGG ID":"C00270"},{"Metabolite":"Ribulose 1,5-diphosphate","RefMet name":"Ribulose 1,5-bisphosphate","KEGG ID":"C01182"},{"Metabolite":"3',5'-Cyclic dAMP","RefMet name":"-","KEGG ID":"C00968"},{"Metabolite":"dTMP","RefMet name":"dTMP","KEGG ID":"C00364"},{"Metabolite":"CMP","RefMet name":"CMP","KEGG ID":"C00055"},{"Metabolite":"UMP","RefMet name":"UMP","KEGG ID":"C00105"},{"Metabolite":"cAMP","RefMet name":"3',5' cyclic AMP","KEGG ID":"C00575"},{"Metabolite":"Phytate","RefMet name":"Myo-inositol hexakisphosphate","KEGG ID":"C01204"},{"Metabolite":"cIMP","RefMet name":"-","KEGG ID":"C00943"},{"Metabolite":"dAMP","RefMet name":"dAMP","KEGG ID":"C00360"},{"Metabolite":"cGMP","RefMet name":"3',5' cyclic GMP","KEGG ID":"C00942"},{"Metabolite":"3'-AMP","RefMet name":"3'-AMP","KEGG ID":"C01367"},{"Metabolite":"AMP","RefMet name":"AMP","KEGG ID":"C00020"},{"Metabolite":"IMP","RefMet name":"IMP","KEGG ID":"C00130"},{"Metabolite":"Prostaglandin E2","RefMet name":"PGE2","KEGG ID":"C00584"},{"Metabolite":"Prostaglandin F2alpha","RefMet name":"PGF2alpha","KEGG ID":"C00639"},{"Metabolite":"GMP","RefMet name":"GMP","KEGG ID":"C00144"},{"Metabolite":"XMP","RefMet name":"XMP","KEGG ID":"C00655"},{"Metabolite":"Orotidine 5'-monophosphate","RefMet name":"Orotidylic acid","KEGG ID":"C01103"},{"Metabolite":"Digalacturonate","RefMet name":"Digalacturonic acid","KEGG ID":"C02273"},{"Metabolite":"NADPH","RefMet name":"NADPH","KEGG ID":"C00005"},{"Metabolite":"CoA","RefMet name":"Coenzyme A","KEGG ID":"C00010"},{"Metabolite":"dCDP","RefMet name":"dCDP","KEGG ID":"C00705"},{"Metabolite":"dUDP","RefMet name":"dUDP","KEGG ID":"C01346"},{"Metabolite":"PRPP","RefMet name":"Phosphoribosyl pyrophosphate","KEGG ID":"C00119"},{"Metabolite":"dTDP","RefMet name":"dTDP","KEGG ID":"C00363"},{"Metabolite":"CDP","RefMet name":"CDP","KEGG ID":"C00112"},{"Metabolite":"UDP","RefMet name":"UDP","KEGG ID":"C00015"},{"Metabolite":"Cholate","RefMet name":"Cholic acid","KEGG ID":"C00695"},{"Metabolite":"dADP","RefMet name":"dADP","KEGG ID":"C00206"},{"Metabolite":"P1, P4-Di(adenosine-5') tetraphosphate","RefMet name":"-","KEGG ID":"C01260"},{"Metabolite":"Isobutyryl CoA","RefMet name":"Isobutyryl-CoA","KEGG ID":"C00630"},{"Metabolite":"Trehalose 6-phosphate","RefMet name":"Trehalose 6-phosphate","KEGG ID":"C00689"},{"Metabolite":"Malonyl CoA","RefMet name":"Malonyl-CoA","KEGG ID":"C00083"},{"Metabolite":"Adenosine 5'-phosphosulfate","RefMet name":"Adenosine phosphosulfate","KEGG ID":"C00224"},{"Metabolite":"Adenosine 3',5'-diphosphate","RefMet name":"Adenosine 3',5'-diphosphate","KEGG ID":"C00054"},{"Metabolite":"ADP","RefMet name":"ADP","KEGG ID":"C00008"},{"Metabolite":"IDP","RefMet name":"IDP","KEGG ID":"C00104"},{"Metabolite":"Folate","RefMet name":"Folic acid","KEGG ID":"C00504"},{"Metabolite":"GDP","RefMet name":"GDP","KEGG ID":"C00035"},{"Metabolite":"Adenylosuccinate","RefMet name":"Adenylsuccinic acid","KEGG ID":"C03794"},{"Metabolite":"Glycocholate","RefMet name":"Glycocholic acid","KEGG ID":"C01921"},{"Metabolite":"dCTP","RefMet name":"dCTP","KEGG ID":"C00458"},{"Metabolite":"dUTP","RefMet name":"dUTP","KEGG ID":"C00460"},{"Metabolite":"dTTP","RefMet name":"dTTP","KEGG ID":"C00459"},{"Metabolite":"CTP","RefMet name":"CTP","KEGG ID":"C00063"},{"Metabolite":"UTP","RefMet name":"UTP","KEGG ID":"C00075"},{"Metabolite":"dATP","RefMet name":"dATP","KEGG ID":"C00131"},{"Metabolite":"dITP","RefMet name":"dITP","KEGG ID":"C01345"},{"Metabolite":"ATP","RefMet name":"ATP","KEGG ID":"C00002"},{"Metabolite":"dGTP","RefMet name":"dGTP","KEGG ID":"C00286"},{"Metabolite":"ITP","RefMet name":"ITP","KEGG ID":"C00081"},{"Metabolite":"Taurocholate","RefMet name":"Taurocholic acid","KEGG ID":"C05122"},{"Metabolite":"GTP","RefMet name":"GTP","KEGG ID":"C00044"},{"Metabolite":"XTP","RefMet name":"Xanthosine 5-triphosphate","KEGG ID":"C00700"},{"Metabolite":"CDP-choline","RefMet name":"Cytidine 5'-diphosphocholine","KEGG ID":"C00307"},{"Metabolite":"ADP-ribose","RefMet name":"ADP-ribose","KEGG ID":"C00301"},{"Metabolite":"TDP-glucose","RefMet name":"dTDP-glucose","KEGG ID":"C00842"},{"Metabolite":"UDP-glucose","RefMet name":"UDP-glucose","KEGG ID":"C00029"},{"Metabolite":"UDP-glucuronate","RefMet name":"UDP-glucuronic acid","KEGG ID":"C00167"},{"Metabolite":"ADP-glucose","RefMet name":"ADP-glucose","KEGG ID":"C00498"},{"Metabolite":"GDP-mannose","RefMet name":"GDP-mannose","KEGG ID":"C00096"},{"Metabolite":"UDP-N-acetylglucosamine","RefMet name":"UDP-N-acetylglucosamine","KEGG ID":"C00043"},{"Metabolite":"CMP-N-acetylneuraminate","RefMet name":"Cytidine monophosphate N-acetylneuraminic acid","KEGG ID":"C00128"},{"Metabolite":"NAD+","RefMet name":"NAD+","KEGG ID":"C00003"},{"Metabolite":"Deamido-NAD+","RefMet name":"Nicotinic acid adenine dinucleotide","KEGG ID":"C00857"},{"Metabolite":"NADH","RefMet name":"NADH","KEGG ID":"C00004"},{"Metabolite":"NADP+","RefMet name":"NADP+","KEGG ID":"C00006"},{"Metabolite":"FAD","RefMet name":"FAD","KEGG ID":"C00016"}]
}

}