{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST003126","ANALYSIS_ID":"AN005125","VERSION":"1","CREATED_ON":"March 19, 2024, 2:51 pm"},

"PROJECT":{"PROJECT_TITLE":"High fat diet ameliorates mitochondrial cardiomyopathy in CHCHD10 mutant mice","PROJECT_SUMMARY":"Mutations in CHCHD10, a mitochondrial protein with undefined functions, are associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L) develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts, mtISR is accompanied by a metabolic rewiring characterized by increased reliance on glycolysis rather than fatty acid oxidation. To counteract this metabolic rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD) to decrease insulin sensitivity and glucose uptake and enhance fatty acid utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant hearts and significantly extended the survival of mutant female mice affected by severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that HFD increased fatty acid utilization and ameliorated cardiomyopathy markers. Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L heart, suggesting activation of quality control mechanisms. Overall, our findings indicate that metabolic therapy can be effective in mitochondrial cardiomyopathies associated with proteotoxic stress.","INSTITUTE":"Weill Cornell Medicine","LAST_NAME":"Southwell","FIRST_NAME":"Nneka","ADDRESS":"407 E 61st St","EMAIL":"nns4001@med.cornell.edu","PHONE":"646-962-8172"},

"STUDY":{"STUDY_TITLE":"Effect of high fat diet on heart metabolome of CHCHD10 mutant mice","STUDY_SUMMARY":"Mutations in CHCHD10, a mitochondrial protein with undefined functions, are associated with autosomal dominant mitochondrial diseases. Chchd10 knock-in mice harboring a heterozygous S55L mutation (equivalent to human pathogenic S59L) develop a fatal mitochondrial cardiomyopathy caused by CHCHD10 aggregation and proteotoxic mitochondrial integrated stress response (mtISR). In mutant hearts, mtISR is accompanied by a metabolic rewiring characterized by increased reliance on glycolysis rather than fatty acid oxidation. To counteract this metabolic rewiring, heterozygous S55L mice were subjected to chronic high fat diet (HFD) to decrease insulin sensitivity and glucose uptake and enhance fatty acid utilization in the heart. HFD ameliorated the ventricular dysfunction of mutant hearts and significantly extended the survival of mutant female mice affected by severe pregnancy-induced cardiomyopathy. Gene expression profiles confirmed that HFD increased fatty acid utilization and ameliorated cardiomyopathy markers. Importantly, HFD also decreased accumulation of aggregated CHCHD10 in the S55L heart, suggesting activation of quality control mechanisms. Overall, our findings indicate that metabolic therapy can be effective in mitochondrial cardiomyopathies associated with proteotoxic stress.","INSTITUTE":"Weill Cornell Medicine","LAST_NAME":"Southwell","FIRST_NAME":"Nneka","ADDRESS":"407 E 61st St","EMAIL":"nns4001@med.cornell.edu","PHONE":"646-962-8172"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"H_HetCD_1",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_2",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_3",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_4",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_5",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_6",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_7",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_8",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_9",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_9.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetCD_10",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetCD_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_1",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_2",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_3",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_4",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_5",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_6",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_7",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_8",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_9",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_9.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTCD_10",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"Control Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTCD_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_1",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_2",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_3",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_4",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_5",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_6",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_7",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_8",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_9",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_9.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_HetHFD_10",
"Factors":{"Sample source":"Heart","Genotype":"CHCHD10 S55L Het","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_HetHFD_10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_1",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_2",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_3",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_4",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_4.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_5",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"F","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_5.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_6",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_6.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_7",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_7.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_8",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_8.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_9",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_9.raw"}
},
{
"Subject ID":"-",
"Sample ID":"H_WTHFD_10",
"Factors":{"Sample source":"Heart","Genotype":"WT","Sex":"M","Diet":"High Fat Diet"},
"Additional sample data":{"Age":"75","RAW_FILE_NAME(Named Raw File)":"H_WTHFD_10.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Murine cardiac tissue was excised, then snap frozen in liquid nitrogen.","SAMPLE_TYPE":"Cardiac tissue"},

"TREATMENT":{"TREATMENT_SUMMARY":"CHCHD10 WT and CHCHD10 S55L heterozygous mice were treated with either a control diet (70% Carbohydrate, 20% Protein, 10% Fat) or High Fat Diet (60% Fat, 20% Protein, 20% Carbohydrate) in utero until 75 days of age."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"15 mg of cardiac tissue was homogenized in 80% methanol (Sigma) using Tissue Tearer (BioSpec) on dry ice. Samples were incubated at -80ºC for 4 hours. Homogenates were then centrifuged at 14,000 rfc for 20 min at 4ºC. The supernatant was extracted and stored at -80ºC for mass spectroscopy with the Weill Cornell Medicine Meyer Cancer Center Proteomics & Metabolomics Core Facility."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"HILIC","INSTRUMENT_NAME":"Thermo Vanquish","COLUMN_NAME":"Merck SeQuant ZIC-pHILIC (150 x 2.1mm,5um)","SOLVENT_A":"100% acetonitrile","SOLVENT_B":"100% water; 0.1% NH4OH; 20 mM CH3COONH4","FLOW_GRADIENT":"85% to 30% A in 20 min followed by a wash with 30% A and re-equilibration at 85% A","FLOW_RATE":"150 μL/min","COLUMN_TEMPERATURE":"30","METHODS_FILENAME":"Protocol_HeartMetabolomics.pdf"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"Protocol_HeartMetabolomics.pdf"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"UNSPECIFIED","MS_COMMENTS":"The MS data was processed using XCalibur 4.1 (Thermo Scientific) to obtain the metabolite signal intensity for relative quantitation. Targeted identification was available for 205 metabolites based on an in-house library established using known chemical standards. Identification required exact mass (within 5ppm) and standard retention times. For untargeted metabolomics, metabolites were identified by mass matching of the MS signal to metabolites in the HMDB database. If multiple metabolites in the database were matched to a certain MS signal, all matched metabolites were grouped into a single identification, and ordered based on the number of references included in the HMDB database (high to low). We used the first ranked metabolite in the downstream analyses. When multiple values with the same metabolite attribution occurred (different metabolites with same mass and retention time), we opted to use all values in the analyses to avoid biases on which intensities/attributions to consider. Peak intensities for metabolites were screened for missing values and relative metabolite abundance data was analyzed by using MetaboAnalyst software version 5.0 (Pang et al, 2021). Metabolite significance was determined with one-way ANOVA with post-hoc t-tests, with the cutoff being a raw p value < 0.05, and the pathway significance cutoff was FDR corrected p value < 0.05.","MS_RESULTS_FILE":"ST003126_AN005125_Results.txt UNITS:Peak Intensity Has m/z:Neutral masses Has RT:No RT units:No RT data"},

"MS_METABOLITE_DATA":{
"Units":"Peak Intensity",

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acid;N-Ethylglycine.2","H_HetCD_3":"7394320.319","H_HetCD_4":"7434011.429","H_HetCD_5":"7237523.274","H_HetCD_1":"8040380.014","H_HetCD_2":"6213233.077","H_HetCD_6":"4789082.862","H_HetCD_7":"6684612.317","H_HetCD_8":"4909215.627","H_HetCD_9":"4854729.597","H_HetCD_10":"5497925.007","H_WTCD_4":"6595661.579","H_WTCD_5":"6205656.755","H_WTCD_3":"6728530.862","H_WTCD_1":"7982597.812","H_WTCD_2":"6205118.043","H_WTCD_6":"5144579.197","H_WTCD_7":"5347627.903","H_WTCD_8":"8791293.697","H_WTCD_9":"8440101.869","H_WTCD_10":"5844117.236","H_HetHFD_1":"6695927.36","H_HetHFD_3":"6111644.728","H_HetHFD_2":"6555455.168","H_HetHFD_5":"5421496.255","H_HetHFD_4":"4707611.522","H_HetHFD_6":"6388525.737","H_HetHFD_7":"5327372.259","H_HetHFD_9":"5173875.472","H_HetHFD_8":"4943587.397","H_HetHFD_10":"9588560.167","H_WTHFD_1":"5755173.92","H_WTHFD_3":"7529849.689","H_WTHFD_2":"7339336.039","H_WTHFD_4":"6233387.153","H_WTHFD_5":"5358579.346","H_WTHFD_6":"7477255.797","H_WTHFD_8":"8014640.446","H_WTHFD_7":"10573125.36","H_WTHFD_9":"5272333.153","H_WTHFD_10":"5219979.877"},{"Metabolite":"Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine","H_HetCD_3":"5504784.671","H_HetCD_4":"4437157.217","H_HetCD_5":"5200953.397","H_HetCD_1":"7163514.072","H_HetCD_2":"3322811.435","H_HetCD_6":"7005363.008","H_HetCD_7":"6075377.227","H_HetCD_8":"8214799.963","H_HetCD_9":"7920397.135","H_HetCD_10":"5452361.518","H_WTCD_4":"1584687.488","H_WTCD_5":"1896672.298","H_WTCD_3":"2147498.712","H_WTCD_1":"2303816.419","H_WTCD_2":"2458607.349","H_WTCD_6":"1812912.137","H_WTCD_7":"2146953.361","H_WTCD_8":"2231409.476","H_WTCD_9":"1970859.362","H_WTCD_10":"2055568.012","H_HetHFD_1":"3116017.123","H_HetHFD_3":"5937780.955","H_HetHFD_2":"4082641.355","H_HetHFD_5":"3834887.579","H_HetHFD_4":"5509815.706","H_HetHFD_6":"4137382.722","H_HetHFD_7":"5108198.759","H_HetHFD_9":"5712136.733","H_HetHFD_8":"4786836.057","H_HetHFD_10":"7085033.97","H_WTHFD_1":"6206402.186","H_WTHFD_3":"3328228.025","H_WTHFD_2":"2089390.486","H_WTHFD_4":"4624052.202","H_WTHFD_5":"2931384.285","H_WTHFD_6":"1898355.868","H_WTHFD_8":"2288677.62","H_WTHFD_7":"2278318.93","H_WTHFD_9":"3358295.378","H_WTHFD_10":"2240089.533"},{"Metabolite":"Glycolic 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acid","H_HetCD_3":"10092.84454","H_HetCD_4":"138344.2594","H_HetCD_5":"130111.4858","H_HetCD_1":"401743.4695","H_HetCD_2":"867.5934551","H_HetCD_6":"122.288534","H_HetCD_7":"139.8310278","H_HetCD_8":"24490.3844","H_HetCD_9":"431889.9588","H_HetCD_10":"233008.7794","H_WTCD_4":"14409.75145","H_WTCD_5":"342385.3099","H_WTCD_3":"134.7292102","H_WTCD_1":"96960.75012","H_WTCD_2":"525968.5952","H_WTCD_6":"205128.4585","H_WTCD_7":"68503.45682","H_WTCD_8":"323080.6058","H_WTCD_9":"157.2569124","H_WTCD_10":"137.7829789","H_HetHFD_1":"138.0442894","H_HetHFD_3":"5497.856615","H_HetHFD_2":"138.9552754","H_HetHFD_5":"32214.75665","H_HetHFD_4":"164922.263","H_HetHFD_6":"181594.9599","H_HetHFD_7":"425745.8654","H_HetHFD_9":"217954.0803","H_HetHFD_8":"3063.78759","H_HetHFD_10":"773221.7246","H_WTHFD_1":"137.6395561","H_WTHFD_3":"7700.423369","H_WTHFD_2":"196059.7843","H_WTHFD_4":"138.7727474","H_WTHFD_5":"118795.9601","H_WTHFD_6":"83435.84047","H_WTHFD_8":"283656.4254","H_WTHFD_7":"28325.4335","H_WTHFD_9":"140.5366688","H_WTHFD_10":"123539.4199"},{"Metabolite":"Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;3-(2,5-dihydroxyphenyl)propanoic acid;2'',6''-Dihydroxy-4''-methoxyacetophenone;2-hydroxy-2-(3-methoxyphenyl)acetic acid;Maltol propionate;2-(2,4-dihydroxyphenyl)propanoic acid;2-(3,4-dihydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(2,4-dihydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;3-(3,5-dihydroxyphenyl)propanoic acid;2'',4''-Dihydroxy-6''-methoxyacetophenone;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2-hydroxy-2-(4-methoxyphenyl)acetic 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acid;Velcorin","H_HetCD_3":"79510.5103","H_HetCD_4":"73215.79297","H_HetCD_5":"56583.40212","H_HetCD_1":"94354.35933","H_HetCD_2":"91574.90031","H_HetCD_6":"186981.4065","H_HetCD_7":"89.75617576","H_HetCD_8":"49764.44078","H_HetCD_9":"3324.101131","H_HetCD_10":"29402.69269","H_WTCD_4":"58218.76672","H_WTCD_5":"98186.96247","H_WTCD_3":"116848.2316","H_WTCD_1":"74743.32835","H_WTCD_2":"177506.811","H_WTCD_6":"24008.72321","H_WTCD_7":"88424.47845","H_WTCD_8":"88.31771817","H_WTCD_9":"57291.98195","H_WTCD_10":"73.99532078","H_HetHFD_1":"161.1275904","H_HetHFD_3":"183783.5438","H_HetHFD_2":"86.19517381","H_HetHFD_5":"66887.70452","H_HetHFD_4":"171208.6417","H_HetHFD_6":"95724.56477","H_HetHFD_7":"104545.0054","H_HetHFD_9":"54339.86148","H_HetHFD_8":"183042.9482","H_HetHFD_10":"78062.01213","H_WTHFD_1":"95938.65062","H_WTHFD_3":"64937.50299","H_WTHFD_2":"86997.68474","H_WTHFD_4":"187.9909266","H_WTHFD_5":"71281.53747","H_WTHFD_6":"41055.83417","H_WTHFD_8":"1993.791585","H_WTHFD_7":"81159.70985","H_WTHFD_9":"79.67008028","H_WTHFD_10":"228295.0838"},{"Metabolite":"Maleic acid","H_HetCD_3":"609899.5284","H_HetCD_4":"511998.3931","H_HetCD_5":"221832.8189","H_HetCD_1":"689192.8316","H_HetCD_2":"71889.19653","H_HetCD_6":"733894.5323","H_HetCD_7":"397270.1235","H_HetCD_8":"584421.9464","H_HetCD_9":"325698.9667","H_HetCD_10":"364609.3041","H_WTCD_4":"286469.648","H_WTCD_5":"196474.0889","H_WTCD_3":"112322.4196","H_WTCD_1":"103905.2504","H_WTCD_2":"211429.8749","H_WTCD_6":"79659.74297","H_WTCD_7":"125284.4427","H_WTCD_8":"109425.443","H_WTCD_9":"88205.12983","H_WTCD_10":"59548.3613","H_HetHFD_1":"72420.46786","H_HetHFD_3":"547859.0697","H_HetHFD_2":"98301.89553","H_HetHFD_5":"257701.7453","H_HetHFD_4":"268518.3888","H_HetHFD_6":"186513.4678","H_HetHFD_7":"283347.2961","H_HetHFD_9":"159119.8198","H_HetHFD_8":"309949.273","H_HetHFD_10":"620094.7378","H_WTHFD_1":"582572.9022","H_WTHFD_3":"60808.76479","H_WTHFD_2":"96840.33233","H_WTHFD_4":"60761.07451","H_WTHFD_5":"85114.6853","H_WTHFD_6":"59078.87766","H_WTHFD_8":"86089.67347","H_WTHFD_7":"90431.39391","H_WTHFD_9":"56417.71143","H_WTHFD_10":"42013.46896"},{"Metabolite":"Maleic 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acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;D-threo-Isocitric 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H_HetHFD_7":"520628.2142","H_HetHFD_9":"817087.9335","H_HetHFD_8":"377501.8253","H_HetHFD_10":"348355.8979","H_WTHFD_1":"704860.2888","H_WTHFD_3":"528875.261","H_WTHFD_2":"532142.1211","H_WTHFD_4":"1398816.758","H_WTHFD_5":"327830.7948","H_WTHFD_6":"205572.6317","H_WTHFD_8":"347110.0964","H_WTHFD_7":"311749.9829","H_WTHFD_9":"338986.6946","H_WTHFD_10":"478821.7777"},{"Metabolite":"Tyramine;2-Hydroxyphenethylamine;m-Tyramine;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;Tyraminium;Dimethylaniline-N-oxide;Phenylethanolaminium;4-Hydroxy-2,6-dimethylaniline","H_HetCD_3":"2864356.982","H_HetCD_4":"2471423.609","H_HetCD_5":"1679413.671","H_HetCD_1":"1955451.084","H_HetCD_2":"1988137.485","H_HetCD_6":"1399368.823","H_HetCD_7":"1036652.1","H_HetCD_8":"842513.5158","H_HetCD_9":"1066254.838","H_HetCD_10":"931808.6323","H_WTCD_4":"779938.3106","H_WTCD_5":"1284879.889","H_WTCD_3":"819992.3962","H_WTCD_1":"1292404.555","H_WTCD_2":"810840.9778","H_WTCD_6":"1356308.799","H_WTCD_7":"777022.852","H_WTCD_8":"811767.7851","H_WTCD_9":"766425.0604","H_WTCD_10":"1040247.852","H_HetHFD_1":"1344187.901","H_HetHFD_3":"785961.7092","H_HetHFD_2":"1047041.074","H_HetHFD_5":"925584.5907","H_HetHFD_4":"868530.4356","H_HetHFD_6":"1432911.537","H_HetHFD_7":"1194372.278","H_HetHFD_9":"1617974.523","H_HetHFD_8":"1325288.28","H_HetHFD_10":"1145505.97","H_WTHFD_1":"1078939.383","H_WTHFD_3":"989082.703","H_WTHFD_2":"1138261.335","H_WTHFD_4":"1490389.112","H_WTHFD_5":"642852.2965","H_WTHFD_6":"580228.1377","H_WTHFD_8":"819904.1466","H_WTHFD_7":"1084899.533","H_WTHFD_9":"1021149.451","H_WTHFD_10":"1153923.23"},{"Metabolite":"Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;(±)-2-(2-Furanyl)pyrrolidine;2-Acetyl-1-ethylpyrrole;4-Hydroxy-2,6-dimethylaniline;Phenylethanolaminium;Dimethylaniline-N-oxide;Tyraminium","H_HetCD_3":"870358.7442","H_HetCD_4":"798891.289","H_HetCD_5":"674254.3328","H_HetCD_1":"720133.4837","H_HetCD_2":"772706.1982","H_HetCD_6":"737159.083","H_HetCD_7":"886449.9085","H_HetCD_8":"951109.3277","H_HetCD_9":"957940.1301","H_HetCD_10":"892119.7197","H_WTCD_4":"927296.1331","H_WTCD_5":"938685.86","H_WTCD_3":"1033086.14","H_WTCD_1":"1117856.249","H_WTCD_2":"856836.8236","H_WTCD_6":"811577.9866","H_WTCD_7":"758261.1092","H_WTCD_8":"876069.2361","H_WTCD_9":"834115.3392","H_WTCD_10":"888316.7278","H_HetHFD_1":"974529.4221","H_HetHFD_3":"787930.3654","H_HetHFD_2":"672309.8999","H_HetHFD_5":"878727.3845","H_HetHFD_4":"848224.0041","H_HetHFD_6":"924791.3367","H_HetHFD_7":"930499.8483","H_HetHFD_9":"910417.3921","H_HetHFD_8":"1037915.107","H_HetHFD_10":"972740.2941","H_WTHFD_1":"704978.0945","H_WTHFD_3":"732038.9611","H_WTHFD_2":"825428.9162","H_WTHFD_4":"788896.8077","H_WTHFD_5":"833791.3934","H_WTHFD_6":"734128.8761","H_WTHFD_8":"865990.4699","H_WTHFD_7":"814776.3007","H_WTHFD_9":"858182.552","H_WTHFD_10":"797373.755"},{"Metabolite":"3-Amino-2-piperidone;N-Mononitrosopiperazine","H_HetCD_3":"1209045.634","H_HetCD_4":"1221172.21","H_HetCD_5":"1052115.703","H_HetCD_1":"1681516.571","H_HetCD_2":"1124017.945","H_HetCD_6":"1022948.453","H_HetCD_7":"917124.484","H_HetCD_8":"1834536.675","H_HetCD_9":"1692901.837","H_HetCD_10":"2111522.475","H_WTCD_4":"513966.7715","H_WTCD_5":"580038.8801","H_WTCD_3":"867275.8832","H_WTCD_1":"500834.2426","H_WTCD_2":"465398.0225","H_WTCD_6":"481701.5155","H_WTCD_7":"661419.3181","H_WTCD_8":"505663.623","H_WTCD_9":"578087.2007","H_WTCD_10":"492475.5558","H_HetHFD_1":"554656.3526","H_HetHFD_3":"1637227.279","H_HetHFD_2":"1504539.759","H_HetHFD_5":"1336260.16","H_HetHFD_4":"2090548.004","H_HetHFD_6":"1044296.22","H_HetHFD_7":"1244028.562","H_HetHFD_9":"1537731.706","H_HetHFD_8":"1353309.815","H_HetHFD_10":"1292522.865","H_WTHFD_1":"1753994.652","H_WTHFD_3":"787538.5376","H_WTHFD_2":"591479.0627","H_WTHFD_4":"672890.7653","H_WTHFD_5":"754037.3841","H_WTHFD_6":"650637.2532","H_WTHFD_8":"675253.0013","H_WTHFD_7":"662289.4394","H_WTHFD_9":"798031.1909","H_WTHFD_10":"764069.3498"},{"Metabolite":"3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;2-Methyl-3-hydroxypropanoate;3-hydroxy-2-isobutyrate","H_HetCD_3":"3737628.441","H_HetCD_4":"6322010.68","H_HetCD_5":"2802694.642","H_HetCD_1":"2087185.03","H_HetCD_2":"1001273.665","H_HetCD_6":"2400172.319","H_HetCD_7":"2905927.387","H_HetCD_8":"1904253.104","H_HetCD_9":"2404726.01","H_HetCD_10":"2352424.015","H_WTCD_4":"3369588.707","H_WTCD_5":"4058195.094","H_WTCD_3":"2928694.11","H_WTCD_1":"4733169.85","H_WTCD_2":"2650310.196","H_WTCD_6":"2108711.27","H_WTCD_7":"2204120.152","H_WTCD_8":"3904386.569","H_WTCD_9":"2529946.786","H_WTCD_10":"1973959.575","H_HetHFD_1":"4341285.35","H_HetHFD_3":"3890450.639","H_HetHFD_2":"1739327.029","H_HetHFD_5":"2260960.492","H_HetHFD_4":"2328251.637","H_HetHFD_6":"3522289.696","H_HetHFD_7":"3036648.034","H_HetHFD_9":"3896874.736","H_HetHFD_8":"2485666.102","H_HetHFD_10":"3485663.953","H_WTHFD_1":"2868784.89","H_WTHFD_3":"7816110.341","H_WTHFD_2":"4610790.542","H_WTHFD_4":"8373512.228","H_WTHFD_5":"2252978.248","H_WTHFD_6":"1594991.732","H_WTHFD_8":"2129672.89","H_WTHFD_7":"2211621.422","H_WTHFD_9":"4491491.951","H_WTHFD_10":"2378804.821"},{"Metabolite":"3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate","H_HetCD_3":"875549.5244","H_HetCD_4":"760645.3813","H_HetCD_5":"429480.8159","H_HetCD_1":"618987.9561","H_HetCD_2":"196101.5459","H_HetCD_6":"920455.468","H_HetCD_7":"851459.8894","H_HetCD_8":"619139.6231","H_HetCD_9":"720312.9929","H_HetCD_10":"682235.6363","H_WTCD_4":"347159.4017","H_WTCD_5":"391310.4301","H_WTCD_3":"361258.0676","H_WTCD_1":"494205.7451","H_WTCD_2":"423443.7758","H_WTCD_6":"1948305.468","H_WTCD_7":"870236.1591","H_WTCD_8":"813078.0068","H_WTCD_9":"506946.9758","H_WTCD_10":"206026.2297","H_HetHFD_1":"507100.772","H_HetHFD_3":"2247940.862","H_HetHFD_2":"451575.2663","H_HetHFD_5":"836958.0064","H_HetHFD_4":"2099094.872","H_HetHFD_6":"1978968.976","H_HetHFD_7":"2265875.893","H_HetHFD_9":"2621372.859","H_HetHFD_8":"889559.2464","H_HetHFD_10":"1044212.478","H_WTHFD_1":"524569.4474","H_WTHFD_3":"3307412.972","H_WTHFD_2":"628015.2787","H_WTHFD_4":"1886590.777","H_WTHFD_5":"625690.2049","H_WTHFD_6":"572786.5292","H_WTHFD_8":"231977.0352","H_WTHFD_7":"691228.9415","H_WTHFD_9":"759249.8582","H_WTHFD_10":"1809469.611"},{"Metabolite":"3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate.2","H_HetCD_3":"1694019.068","H_HetCD_4":"668983.2095","H_HetCD_5":"2145796.333","H_HetCD_1":"845896.7761","H_HetCD_2":"478533.6359","H_HetCD_6":"1279971.151","H_HetCD_7":"1745225.015","H_HetCD_8":"1411631.104","H_HetCD_9":"1523627.159","H_HetCD_10":"1662158.69","H_WTCD_4":"580280.9882","H_WTCD_5":"2684189.093","H_WTCD_3":"1549909.925","H_WTCD_1":"3237489.22","H_WTCD_2":"2142145.124","H_WTCD_6":"635019.56","H_WTCD_7":"650235.4472","H_WTCD_8":"548953.9843","H_WTCD_9":"650740.0004","H_WTCD_10":"831451.8937","H_HetHFD_1":"3296301.122","H_HetHFD_3":"1811612.305","H_HetHFD_2":"565201.697","H_HetHFD_5":"992563.3925","H_HetHFD_4":"710569.4657","H_HetHFD_6":"1702110.093","H_HetHFD_7":"1630496.496","H_HetHFD_9":"590807.0883","H_HetHFD_8":"1304655.743","H_HetHFD_10":"1698276.31","H_WTHFD_1":"1732188.195","H_WTHFD_3":"3259129.851","H_WTHFD_2":"561412.6323","H_WTHFD_4":"5409596.323","H_WTHFD_5":"1038572.899","H_WTHFD_6":"444433.4469","H_WTHFD_8":"893260.6465","H_WTHFD_7":"782000.9944","H_WTHFD_9":"2541856.563","H_WTHFD_10":"1129321.416"},{"Metabolite":"2-Methylcitric acid;(R)-lipoic acid;(S)-lipoic acid;Homocitric acid;3-(Carboxymethyl)-3-hydroxypentanedioic acid;Methylisocitric acid","H_HetCD_3":"1468374.045","H_HetCD_4":"1392031.087","H_HetCD_5":"1485825.641","H_HetCD_1":"1575717.544","H_HetCD_2":"528579.5777","H_HetCD_6":"1898874.039","H_HetCD_7":"1561599.182","H_HetCD_8":"2985067.48","H_HetCD_9":"2669969.718","H_HetCD_10":"3226301.039","H_WTCD_4":"515278.9217","H_WTCD_5":"438517.4501","H_WTCD_3":"919789.4066","H_WTCD_1":"963556.2519","H_WTCD_2":"1303947.236","H_WTCD_6":"618651.7752","H_WTCD_7":"453446.496","H_WTCD_8":"810785.9417","H_WTCD_9":"607956.1811","H_WTCD_10":"763296.407","H_HetHFD_1":"795087.2368","H_HetHFD_3":"1100437.548","H_HetHFD_2":"516873.4603","H_HetHFD_5":"1111651.321","H_HetHFD_4":"1439327.559","H_HetHFD_6":"771412.8975","H_HetHFD_7":"1142527.564","H_HetHFD_9":"709455.2876","H_HetHFD_8":"1664484.534","H_HetHFD_10":"1840505.798","H_WTHFD_1":"1203820.555","H_WTHFD_3":"1623496.311","H_WTHFD_2":"491293.2727","H_WTHFD_4":"1100306.255","H_WTHFD_5":"535686.4798","H_WTHFD_6":"539635.6208","H_WTHFD_8":"575828.7414","H_WTHFD_7":"825943.3812","H_WTHFD_9":"1316267.523","H_WTHFD_10":"521391.0062"},{"Metabolite":"Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid","H_HetCD_3":"59018.76776","H_HetCD_4":"68687.54495","H_HetCD_5":"20902.19021","H_HetCD_1":"114425.6772","H_HetCD_2":"44411.12788","H_HetCD_6":"239887.1136","H_HetCD_7":"111097.9618","H_HetCD_8":"76387.09789","H_HetCD_9":"151051.3918","H_HetCD_10":"65084.50212","H_WTCD_4":"71106.22484","H_WTCD_5":"55835.4883","H_WTCD_3":"122223.0532","H_WTCD_1":"24909.09437","H_WTCD_2":"17126.67775","H_WTCD_6":"482504.219","H_WTCD_7":"986899.4395","H_WTCD_8":"74252.57235","H_WTCD_9":"224135.4952","H_WTCD_10":"31401.56287","H_HetHFD_1":"27975.98061","H_HetHFD_3":"283048.2723","H_HetHFD_2":"153677.6564","H_HetHFD_5":"85917.54861","H_HetHFD_4":"508435.026","H_HetHFD_6":"142771.696","H_HetHFD_7":"228911.8209","H_HetHFD_9":"184415.8807","H_HetHFD_8":"104976.1056","H_HetHFD_10":"374304.2843","H_WTHFD_1":"63230.6299","H_WTHFD_3":"12284.67085","H_WTHFD_2":"67550.3306","H_WTHFD_4":"14699.84394","H_WTHFD_5":"3909.259487","H_WTHFD_6":"58408.53893","H_WTHFD_8":"62306.96654","H_WTHFD_7":"67685.72689","H_WTHFD_9":"57510.75954","H_WTHFD_10":"67656.35969"},{"Metabolite":"Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid.2","H_HetCD_3":"312654.3139","H_HetCD_4":"246389.5042","H_HetCD_5":"169125.3651","H_HetCD_1":"314536.072","H_HetCD_2":"367580.7881","H_HetCD_6":"219537.121","H_HetCD_7":"287043.5668","H_HetCD_8":"170619.9279","H_HetCD_9":"403283.6521","H_HetCD_10":"259327.3314","H_WTCD_4":"140858.5554","H_WTCD_5":"142618.7307","H_WTCD_3":"114285.23","H_WTCD_1":"152623.7448","H_WTCD_2":"108523.3948","H_WTCD_6":"250059.8354","H_WTCD_7":"264494.6597","H_WTCD_8":"209125.8485","H_WTCD_9":"187348.662","H_WTCD_10":"129328.5922","H_HetHFD_1":"322899.807","H_HetHFD_3":"410831.1389","H_HetHFD_2":"380512.4156","H_HetHFD_5":"296205.6806","H_HetHFD_4":"434886.373","H_HetHFD_6":"461837.8486","H_HetHFD_7":"633516.0893","H_HetHFD_9":"630770.3487","H_HetHFD_8":"415769.116","H_HetHFD_10":"492116.5828","H_WTHFD_1":"424097.0894","H_WTHFD_3":"379554.1764","H_WTHFD_2":"225069.0622","H_WTHFD_4":"462653.1977","H_WTHFD_5":"195511.256","H_WTHFD_6":"191471.4544","H_WTHFD_8":"162905.7","H_WTHFD_7":"261945.6063","H_WTHFD_9":"299685.4025","H_WTHFD_10":"477150.4442"},{"Metabolite":"3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone","H_HetCD_3":"1059675.584","H_HetCD_4":"1228347.6","H_HetCD_5":"979776.3264","H_HetCD_1":"1181005.152","H_HetCD_2":"839478.4543","H_HetCD_6":"1102304.341","H_HetCD_7":"1145049.132","H_HetCD_8":"1114227.453","H_HetCD_9":"1121158.412","H_HetCD_10":"1074321.034","H_WTCD_4":"1139431.109","H_WTCD_5":"1220572.477","H_WTCD_3":"1252315.418","H_WTCD_1":"1234712.877","H_WTCD_2":"1090065.761","H_WTCD_6":"1109580.782","H_WTCD_7":"1412252.511","H_WTCD_8":"1217392.265","H_WTCD_9":"1245809.59","H_WTCD_10":"1089477.229","H_HetHFD_1":"1126070.775","H_HetHFD_3":"1286634.043","H_HetHFD_2":"1314435.411","H_HetHFD_5":"931504.6069","H_HetHFD_4":"1071802.273","H_HetHFD_6":"980254.8561","H_HetHFD_7":"1068975.513","H_HetHFD_9":"1015827.893","H_HetHFD_8":"1141998.079","H_HetHFD_10":"1149035.334","H_WTHFD_1":"1259570.891","H_WTHFD_3":"1039174.576","H_WTHFD_2":"933773.5051","H_WTHFD_4":"1278431.481","H_WTHFD_5":"932132.4969","H_WTHFD_6":"945936.1395","H_WTHFD_8":"993431.0796","H_WTHFD_7":"1091641.835","H_WTHFD_9":"1070609.305","H_WTHFD_10":"942641.2304"},{"Metabolite":"Adenylsuccinic acid;N(6)-(1,2-dicarboxyethyl)AMP","H_HetCD_3":"2493931.24","H_HetCD_4":"2276171.724","H_HetCD_5":"2211060.937","H_HetCD_1":"1046488.937","H_HetCD_2":"257869.9813","H_HetCD_6":"2767112.821","H_HetCD_7":"4000535.326","H_HetCD_8":"2561679.123","H_HetCD_9":"3792107.652","H_HetCD_10":"4045006.307","H_WTCD_4":"2216483.343","H_WTCD_5":"5546794.582","H_WTCD_3":"2904291.913","H_WTCD_1":"2182067.306","H_WTCD_2":"2142080.973","H_WTCD_6":"6323694.399","H_WTCD_7":"4253159.288","H_WTCD_8":"5423772.4","H_WTCD_9":"6526038.955","H_WTCD_10":"4870673.059","H_HetHFD_1":"1693336.919","H_HetHFD_3":"1899259.554","H_HetHFD_2":"1865501.33","H_HetHFD_5":"3073412.223","H_HetHFD_4":"2252189.562","H_HetHFD_6":"2236779.113","H_HetHFD_7":"3154032.35","H_HetHFD_9":"3530431.773","H_HetHFD_8":"3075344.501","H_HetHFD_10":"3061934.209","H_WTHFD_1":"2207725.721","H_WTHFD_3":"2798335.944","H_WTHFD_2":"1973166.305","H_WTHFD_4":"3038257.253","H_WTHFD_5":"2075905.466","H_WTHFD_6":"1658280.685","H_WTHFD_8":"2036785.585","H_WTHFD_7":"2028331","H_WTHFD_9":"4474884.011","H_WTHFD_10":"3566958.998"},{"Metabolite":"8-Hydroxyadenine;2-Hydroxyadenine","H_HetCD_3":"578792.8486","H_HetCD_4":"618996.2694","H_HetCD_5":"572532.1635","H_HetCD_1":"551633.1173","H_HetCD_2":"109539.9557","H_HetCD_6":"728776.8784","H_HetCD_7":"779866.003","H_HetCD_8":"703542.0196","H_HetCD_9":"703110.4545","H_HetCD_10":"688548.2363","H_WTCD_4":"348464.8028","H_WTCD_5":"503720.6272","H_WTCD_3":"384716.5139","H_WTCD_1":"387945.7471","H_WTCD_2":"403912.1463","H_WTCD_6":"481856.2914","H_WTCD_7":"501707.0553","H_WTCD_8":"513364.9046","H_WTCD_9":"565348.244","H_WTCD_10":"386307.9634","H_HetHFD_1":"354116.3386","H_HetHFD_3":"564761.9145","H_HetHFD_2":"417641.8785","H_HetHFD_5":"458434.0352","H_HetHFD_4":"598654.4807","H_HetHFD_6":"580462.178","H_HetHFD_7":"612616.886","H_HetHFD_9":"678334.1001","H_HetHFD_8":"721958.4085","H_HetHFD_10":"728129.0168","H_WTHFD_1":"579977.9109","H_WTHFD_3":"406450.2113","H_WTHFD_2":"326223.2714","H_WTHFD_4":"508438.7593","H_WTHFD_5":"315124.2949","H_WTHFD_6":"323441.8693","H_WTHFD_8":"257111.503","H_WTHFD_7":"326492.3771","H_WTHFD_9":"486737.397","H_WTHFD_10":"409396.1867"},{"Metabolite":"8-Hydroxyadenine;2-Hydroxyadenine.2","H_HetCD_3":"649296.1091","H_HetCD_4":"966659.4158","H_HetCD_5":"373145.8276","H_HetCD_1":"612332.4973","H_HetCD_2":"83513.10766","H_HetCD_6":"748345.9814","H_HetCD_7":"614468.0622","H_HetCD_8":"663286.2581","H_HetCD_9":"695041.1516","H_HetCD_10":"297200.4531","H_WTCD_4":"404661.9667","H_WTCD_5":"502147.67","H_WTCD_3":"141361.3708","H_WTCD_1":"466185.8259","H_WTCD_2":"409169.8043","H_WTCD_6":"422517.1203","H_WTCD_7":"429275.6761","H_WTCD_8":"267595.0976","H_WTCD_9":"326446.6369","H_WTCD_10":"352256.9394","H_HetHFD_1":"817225.7877","H_HetHFD_3":"1023398.124","H_HetHFD_2":"553520.3995","H_HetHFD_5":"1159885.094","H_HetHFD_4":"721697.5194","H_HetHFD_6":"622594.5076","H_HetHFD_7":"1609263.146","H_HetHFD_9":"788997.3845","H_HetHFD_8":"1067361.282","H_HetHFD_10":"1636262.635","H_WTHFD_1":"1464480.293","H_WTHFD_3":"456871.5264","H_WTHFD_2":"503431.304","H_WTHFD_4":"930061.5931","H_WTHFD_5":"245580.3433","H_WTHFD_6":"487526.2052","H_WTHFD_8":"454726.4413","H_WTHFD_7":"503861.3458","H_WTHFD_9":"827533.3239","H_WTHFD_10":"932738.434"},{"Metabolite":"L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside","H_HetCD_3":"219535.9398","H_HetCD_4":"235069.7516","H_HetCD_5":"210218.3897","H_HetCD_1":"126491.7561","H_HetCD_2":"105775.1753","H_HetCD_6":"2863601.054","H_HetCD_7":"1841593.256","H_HetCD_8":"1615570.677","H_HetCD_9":"2062614.042","H_HetCD_10":"415584.5192","H_WTCD_4":"189255.234","H_WTCD_5":"241593.1078","H_WTCD_3":"228969.1769","H_WTCD_1":"219980.2923","H_WTCD_2":"215357.1322","H_WTCD_6":"2469653.241","H_WTCD_7":"1981375.689","H_WTCD_8":"2108706.66","H_WTCD_9":"1253110.175","H_WTCD_10":"1469854.125","H_HetHFD_1":"215565.619","H_HetHFD_3":"221169.7251","H_HetHFD_2":"147168.5787","H_HetHFD_5":"228047.4729","H_HetHFD_4":"253439.5154","H_HetHFD_6":"1360688.024","H_HetHFD_7":"2219110.895","H_HetHFD_9":"1105793.059","H_HetHFD_8":"1663836.737","H_HetHFD_10":"1235041.681","H_WTHFD_1":"311602.7422","H_WTHFD_3":"387137.1415","H_WTHFD_2":"186534.7348","H_WTHFD_4":"297086.5396","H_WTHFD_5":"262683.4647","H_WTHFD_6":"1464688.22","H_WTHFD_8":"803037.0985","H_WTHFD_7":"1021314.274","H_WTHFD_9":"1047568.699","H_WTHFD_10":"1320572.859"},{"Metabolite":"L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside.2","H_HetCD_3":"78161.33497","H_HetCD_4":"64428.83736","H_HetCD_5":"407649.4663","H_HetCD_1":"386703.8531","H_HetCD_2":"410078.9616","H_HetCD_6":"2704560.945","H_HetCD_7":"1748182.502","H_HetCD_8":"1446527.779","H_HetCD_9":"1853033.545","H_HetCD_10":"318252.0807","H_WTCD_4":"82304.03788","H_WTCD_5":"76611.13175","H_WTCD_3":"121326.0976","H_WTCD_1":"58277.43075","H_WTCD_2":"65436.68865","H_WTCD_6":"2671266.604","H_WTCD_7":"2293411.05","H_WTCD_8":"2617598.103","H_WTCD_9":"947017.4753","H_WTCD_10":"1418619.376","H_HetHFD_1":"93553.43408","H_HetHFD_3":"73655.49444","H_HetHFD_2":"70276.93923","H_HetHFD_5":"552342.7883","H_HetHFD_4":"29404.09518","H_HetHFD_6":"987332.9697","H_HetHFD_7":"2345377.604","H_HetHFD_9":"787176.1508","H_HetHFD_8":"1299389.234","H_HetHFD_10":"704880.5792","H_WTHFD_1":"123343.3737","H_WTHFD_3":"87352.91331","H_WTHFD_2":"460782.3578","H_WTHFD_4":"149557.4786","H_WTHFD_5":"52973.64646","H_WTHFD_6":"1580884.206","H_WTHFD_8":"587496.5907","H_WTHFD_7":"814770.6026","H_WTHFD_9":"770509.3899","H_WTHFD_10":"909785.3167"},{"Metabolite":"2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one","H_HetCD_3":"2803733.522","H_HetCD_4":"2825269.305","H_HetCD_5":"2456080.546","H_HetCD_1":"2074881.26","H_HetCD_2":"2771847.606","H_HetCD_6":"3247512.415","H_HetCD_7":"2115880.601","H_HetCD_8":"1726414.635","H_HetCD_9":"1940128.852","H_HetCD_10":"1231258.557","H_WTCD_4":"2126825.795","H_WTCD_5":"580103.8515","H_WTCD_3":"1089334.815","H_WTCD_1":"1732098.688","H_WTCD_2":"1466975.48","H_WTCD_6":"819052.4777","H_WTCD_7":"1135963.74","H_WTCD_8":"1190073.238","H_WTCD_9":"1112036.882","H_WTCD_10":"843334.8271","H_HetHFD_1":"2564465.515","H_HetHFD_3":"1969568.458","H_HetHFD_2":"2356310.826","H_HetHFD_5":"2004153.692","H_HetHFD_4":"1880050.338","H_HetHFD_6":"1884984.083","H_HetHFD_7":"2038649.874","H_HetHFD_9":"2358765.293","H_HetHFD_8":"3803709.413","H_HetHFD_10":"3235653.331","H_WTHFD_1":"3721913.451","H_WTHFD_3":"4855218.149","H_WTHFD_2":"2847690.245","H_WTHFD_4":"4750227.9","H_WTHFD_5":"2315719.439","H_WTHFD_6":"2454257.942","H_WTHFD_8":"2511903.007","H_WTHFD_7":"3712601.548","H_WTHFD_9":"3790548.029","H_WTHFD_10":"5955279.459"},{"Metabolite":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid","H_HetCD_3":"3177032.405","H_HetCD_4":"3972015.874","H_HetCD_5":"4018364.057","H_HetCD_1":"2509639.866","H_HetCD_2":"3407828.757","H_HetCD_6":"2030579.488","H_HetCD_7":"3807812.94","H_HetCD_8":"2365221.278","H_HetCD_9":"3448097.278","H_HetCD_10":"2120942.738","H_WTCD_4":"3062796.8","H_WTCD_5":"2879437.238","H_WTCD_3":"3108982.953","H_WTCD_1":"3233681.806","H_WTCD_2":"3389842.566","H_WTCD_6":"4071159.121","H_WTCD_7":"2964609.936","H_WTCD_8":"4258258.498","H_WTCD_9":"3903108.003","H_WTCD_10":"4053472.398","H_HetHFD_1":"5311146.951","H_HetHFD_3":"3064185.053","H_HetHFD_2":"3759560.214","H_HetHFD_5":"2487578.005","H_HetHFD_4":"4003045.867","H_HetHFD_6":"4106044.028","H_HetHFD_7":"4341233.998","H_HetHFD_9":"2852055.72","H_HetHFD_8":"3425989.205","H_HetHFD_10":"3128060.229","H_WTHFD_1":"3980171.313","H_WTHFD_3":"4416694.597","H_WTHFD_2":"2706468.737","H_WTHFD_4":"5119595.065","H_WTHFD_5":"4125982.753","H_WTHFD_6":"3406289.449","H_WTHFD_8":"3692150.444","H_WTHFD_7":"2408681.416","H_WTHFD_9":"4401273.103","H_WTHFD_10":"4385190.147"},{"Metabolite":"Decanoylcarnitine;O-decanoyl-L-carnitine","H_HetCD_3":"4663139.3","H_HetCD_4":"2557690.014","H_HetCD_5":"2236342.939","H_HetCD_1":"2562767.058","H_HetCD_2":"425713.2221","H_HetCD_6":"3649056.926","H_HetCD_7":"1189032.778","H_HetCD_8":"599920.5247","H_HetCD_9":"176584.6583","H_HetCD_10":"178356.313","H_WTCD_4":"1812284.885","H_WTCD_5":"2222375.335","H_WTCD_3":"53149.64269","H_WTCD_1":"464536.0348","H_WTCD_2":"1127056.252","H_WTCD_6":"1148051.35","H_WTCD_7":"908360.875","H_WTCD_8":"5165943.305","H_WTCD_9":"1577350.504","H_WTCD_10":"1039262.963","H_HetHFD_1":"3533198.526","H_HetHFD_3":"2745138.202","H_HetHFD_2":"743564.8232","H_HetHFD_5":"346666.322","H_HetHFD_4":"513706.6628","H_HetHFD_6":"1257360.569","H_HetHFD_7":"466986.3828","H_HetHFD_9":"258411.8588","H_HetHFD_8":"1373975.875","H_HetHFD_10":"640475.0491","H_WTHFD_1":"964985.2971","H_WTHFD_3":"1027234.144","H_WTHFD_2":"367788.8531","H_WTHFD_4":"4553761.446","H_WTHFD_5":"432434.5628","H_WTHFD_6":"1865071.415","H_WTHFD_8":"931492.8711","H_WTHFD_7":"902004.4374","H_WTHFD_9":"891892.9609","H_WTHFD_10":"1570863.318"},{"Metabolite":"Cysteineglutathione 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acid","H_HetCD_3":"1703711.331","H_HetCD_4":"2334923.78","H_HetCD_5":"2539942.234","H_HetCD_1":"1446273.156","H_HetCD_2":"2008949.663","H_HetCD_6":"969287.4299","H_HetCD_7":"2414785.687","H_HetCD_8":"1155578.01","H_HetCD_9":"1683268.419","H_HetCD_10":"940665.4435","H_WTCD_4":"1805081.986","H_WTCD_5":"1567035.391","H_WTCD_3":"1816042.008","H_WTCD_1":"1906631.548","H_WTCD_2":"1967625.992","H_WTCD_6":"2324989.32","H_WTCD_7":"1617591.205","H_WTCD_8":"2346587.247","H_WTCD_9":"2209308.819","H_WTCD_10":"2374661.609","H_HetHFD_1":"3156891.243","H_HetHFD_3":"1840821.341","H_HetHFD_2":"2416210.672","H_HetHFD_5":"1239986.144","H_HetHFD_4":"2397301.781","H_HetHFD_6":"2443450.324","H_HetHFD_7":"2655354.71","H_HetHFD_9":"1666367.942","H_HetHFD_8":"2108212.829","H_HetHFD_10":"1890044.566","H_WTHFD_1":"2465976.192","H_WTHFD_3":"2596691.748","H_WTHFD_2":"1333315.531","H_WTHFD_4":"2872505.768","H_WTHFD_5":"2327647.42","H_WTHFD_6":"2055747.121","H_WTHFD_8":"2188441.987","H_WTHFD_7":"1288350.996","H_WTHFD_9":"2415448.195","H_WTHFD_10":"2461010.573"},{"Metabolite":"Homo-L-arginine;L-Targinine","H_HetCD_3":"1674632.917","H_HetCD_4":"1582217.273","H_HetCD_5":"1173333.294","H_HetCD_1":"1772886.947","H_HetCD_2":"741422.9919","H_HetCD_6":"1281075.593","H_HetCD_7":"1333589.812","H_HetCD_8":"992015.3473","H_HetCD_9":"1062235.165","H_HetCD_10":"1370032.864","H_WTCD_4":"1677663.98","H_WTCD_5":"1995340.062","H_WTCD_3":"1624421.646","H_WTCD_1":"1772166.983","H_WTCD_2":"1805107.015","H_WTCD_6":"1564293.14","H_WTCD_7":"1735944.692","H_WTCD_8":"1405914.647","H_WTCD_9":"1724751.844","H_WTCD_10":"1356353.886","H_HetHFD_1":"1421316.132","H_HetHFD_3":"1873845.84","H_HetHFD_2":"1281484.987","H_HetHFD_5":"1216398.931","H_HetHFD_4":"1260339.262","H_HetHFD_6":"1304868.476","H_HetHFD_7":"1549722.279","H_HetHFD_9":"1663544.696","H_HetHFD_8":"1167607.897","H_HetHFD_10":"1480176.543","H_WTHFD_1":"1663799.212","H_WTHFD_3":"2087863.762","H_WTHFD_2":"1249810.58","H_WTHFD_4":"2507237.713","H_WTHFD_5":"1438815.324","H_WTHFD_6":"1279601.265","H_WTHFD_8":"1389119.325","H_WTHFD_7":"1194374.687","H_WTHFD_9":"2159569.79","H_WTHFD_10":"1817346.331"},{"Metabolite":"Homo-L-arginine;L-Targinine.2","H_HetCD_3":"1783703.525","H_HetCD_4":"1699607.95","H_HetCD_5":"1553134.758","H_HetCD_1":"2184671.759","H_HetCD_2":"655048.5625","H_HetCD_6":"1405589.616","H_HetCD_7":"1120628.078","H_HetCD_8":"1234433.664","H_HetCD_9":"1079882.488","H_HetCD_10":"2323881.77","H_WTCD_4":"1920764.578","H_WTCD_5":"3332933.766","H_WTCD_3":"2514685.394","H_WTCD_1":"1613491.805","H_WTCD_2":"2621021.963","H_WTCD_6":"1582102.836","H_WTCD_7":"1245159.231","H_WTCD_8":"1430977.412","H_WTCD_9":"2241134.909","H_WTCD_10":"1060603.549","H_HetHFD_1":"1332883.815","H_HetHFD_3":"1817424.477","H_HetHFD_2":"1858028.6","H_HetHFD_5":"1213210.659","H_HetHFD_4":"1691631.174","H_HetHFD_6":"1064942.717","H_HetHFD_7":"1485127.389","H_HetHFD_9":"1167980.414","H_HetHFD_8":"1179045.93","H_HetHFD_10":"1305846.934","H_WTHFD_1":"1676161.582","H_WTHFD_3":"1650469.69","H_WTHFD_2":"1572501.894","H_WTHFD_4":"1649952.238","H_WTHFD_5":"1591195.185","H_WTHFD_6":"922780.3088","H_WTHFD_8":"1265586.616","H_WTHFD_7":"1332775.841","H_WTHFD_9":"1102731.391","H_WTHFD_10":"861430.7173"},{"Metabolite":"Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;5-Acetamidovalerate;Betonicine;Calystegin A3;Calystegine A7;Calystegine A6;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Turicine;Medicanine;4-Hydroxystachydrine","H_HetCD_3":"1843463.858","H_HetCD_4":"1908889.168","H_HetCD_5":"1730465.154","H_HetCD_1":"1384201.162","H_HetCD_2":"526119.2092","H_HetCD_6":"2049742.419","H_HetCD_7":"2700465.55","H_HetCD_8":"1293314.321","H_HetCD_9":"1634325.922","H_HetCD_10":"2053821.509","H_WTCD_4":"1957880.809","H_WTCD_5":"2261552.314","H_WTCD_3":"1909218.556","H_WTCD_1":"2093285.732","H_WTCD_2":"2431289.216","H_WTCD_6":"3222935.742","H_WTCD_7":"2747516.297","H_WTCD_8":"2730482.949","H_WTCD_9":"3071194.988","H_WTCD_10":"2200286.592","H_HetHFD_1":"2128365.7","H_HetHFD_3":"2302578.322","H_HetHFD_2":"2003294.388","H_HetHFD_5":"1962050.832","H_HetHFD_4":"2203479.658","H_HetHFD_6":"2676660.744","H_HetHFD_7":"3411787.761","H_HetHFD_9":"2843703.191","H_HetHFD_8":"2421113.379","H_HetHFD_10":"2624267.48","H_WTHFD_1":"2498028.87","H_WTHFD_3":"3503659.256","H_WTHFD_2":"1834159.003","H_WTHFD_4":"3610372.844","H_WTHFD_5":"2005987.037","H_WTHFD_6":"2668343.388","H_WTHFD_8":"2368400.847","H_WTHFD_7":"2487896.115","H_WTHFD_9":"3396824.023","H_WTHFD_10":"3349799.211"},{"Metabolite":"Glycylproline;Prolylglycine","H_HetCD_3":"2036451.957","H_HetCD_4":"2205883.236","H_HetCD_5":"1620253.756","H_HetCD_1":"2161017.364","H_HetCD_2":"973934.6216","H_HetCD_6":"1964074.444","H_HetCD_7":"2122585.098","H_HetCD_8":"1971179.76","H_HetCD_9":"2175382.045","H_HetCD_10":"2176226.383","H_WTCD_4":"1917562.325","H_WTCD_5":"1907279.09","H_WTCD_3":"2155200.35","H_WTCD_1":"2138717.821","H_WTCD_2":"1860074.022","H_WTCD_6":"2413944.694","H_WTCD_7":"2020410.176","H_WTCD_8":"2103549.841","H_WTCD_9":"1888399.252","H_WTCD_10":"2259579.731","H_HetHFD_1":"1850095.418","H_HetHFD_3":"2380902.116","H_HetHFD_2":"1701199.73","H_HetHFD_5":"1892979.888","H_HetHFD_4":"1994299.635","H_HetHFD_6":"2487057.623","H_HetHFD_7":"2094264.563","H_HetHFD_9":"2357568.431","H_HetHFD_8":"2506138.884","H_HetHFD_10":"2729355.621","H_WTHFD_1":"2472852.01","H_WTHFD_3":"2283516.02","H_WTHFD_2":"1436991.287","H_WTHFD_4":"2337677.284","H_WTHFD_5":"1980862.674","H_WTHFD_6":"1773800.025","H_WTHFD_8":"1994789.933","H_WTHFD_7":"2134310.447","H_WTHFD_9":"2362054.418","H_WTHFD_10":"2044488.004"},{"Metabolite":"Hydroxykynurenine;L-3-Hydroxykynurenine;Stavudine;5-Hydroxykynurenine;L-Nicotianine","H_HetCD_3":"8746.773189","H_HetCD_4":"7489.445934","H_HetCD_5":"57138.57894","H_HetCD_1":"44022.9569","H_HetCD_2":"825078.9076","H_HetCD_6":"5444.251065","H_HetCD_7":"13801.12888","H_HetCD_8":"7139.071936","H_HetCD_9":"9792.526993","H_HetCD_10":"5472.260528","H_WTCD_4":"5555.447017","H_WTCD_5":"24297.51245","H_WTCD_3":"20061.24424","H_WTCD_1":"30957.24937","H_WTCD_2":"17033.3531","H_WTCD_6":"27614.41521","H_WTCD_7":"28968.64302","H_WTCD_8":"5335.854143","H_WTCD_9":"4692.217332","H_WTCD_10":"34297.31864","H_HetHFD_1":"35351.37943","H_HetHFD_3":"69415.61289","H_HetHFD_2":"295162.8606","H_HetHFD_5":"18664.03655","H_HetHFD_4":"9408.833933","H_HetHFD_6":"15083.50593","H_HetHFD_7":"5162.103141","H_HetHFD_9":"12910.91306","H_HetHFD_8":"7477.619837","H_HetHFD_10":"6372.167465","H_WTHFD_1":"5697.430642","H_WTHFD_3":"37952.21909","H_WTHFD_2":"9696.774668","H_WTHFD_4":"51571.06997","H_WTHFD_5":"25761.13003","H_WTHFD_6":"11536.69581","H_WTHFD_8":"17891.29444","H_WTHFD_7":"11244.42524","H_WTHFD_9":"51426.10272","H_WTHFD_10":"23267.4359"},{"Metabolite":"Indoleacrylic 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acid;Nonate;2,4-Dimethylpimelic acid;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;3-Methylsuberic acid;(+/-)-Methyl 5-acetoxyhexanoate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate","H_HetCD_3":"245585.7844","H_HetCD_4":"175623.5822","H_HetCD_5":"45408.97281","H_HetCD_1":"211794.0785","H_HetCD_2":"157922.381","H_HetCD_6":"158742.5775","H_HetCD_7":"287476.6513","H_HetCD_8":"180416.6639","H_HetCD_9":"207427.7208","H_HetCD_10":"61861.30088","H_WTCD_4":"116849.5159","H_WTCD_5":"252282.0766","H_WTCD_3":"162557.9095","H_WTCD_1":"180864.8866","H_WTCD_2":"104523.7684","H_WTCD_6":"71703.57467","H_WTCD_7":"60300.68992","H_WTCD_8":"119269.98","H_WTCD_9":"123272.3512","H_WTCD_10":"166713.7984","H_HetHFD_1":"303333.9911","H_HetHFD_3":"59972.4941","H_HetHFD_2":"154550.5222","H_HetHFD_5":"54524.03032","H_HetHFD_4":"66043.69751","H_HetHFD_6":"131376.6623","H_HetHFD_7":"124786.6632","H_HetHFD_9":"535848.2917","H_HetHFD_8":"471135.1369","H_HetHFD_10":"478872.4222","H_WTHFD_1":"659455.306","H_WTHFD_3":"253311.8878","H_WTHFD_2":"341228.0032","H_WTHFD_4":"146889.3061","H_WTHFD_5":"203162.3042","H_WTHFD_6":"164781.7299","H_WTHFD_8":"235483.7979","H_WTHFD_7":"208985.2641","H_WTHFD_9":"308681.2559","H_WTHFD_10":"283548.1317"},{"Metabolite":"Orotidine","H_HetCD_3":"688590.6288","H_HetCD_4":"584269.6797","H_HetCD_5":"617696.4866","H_HetCD_1":"641412.3405","H_HetCD_2":"753204.2351","H_HetCD_6":"575848.982","H_HetCD_7":"566823.9786","H_HetCD_8":"739111.3825","H_HetCD_9":"736366.6048","H_HetCD_10":"891667.7715","H_WTCD_4":"450215.4938","H_WTCD_5":"524129.2594","H_WTCD_3":"482775.4734","H_WTCD_1":"416761.5464","H_WTCD_2":"465702.4898","H_WTCD_6":"590370.0251","H_WTCD_7":"565729.0406","H_WTCD_8":"502597.687","H_WTCD_9":"488121.4331","H_WTCD_10":"672091.9069","H_HetHFD_1":"444304.1048","H_HetHFD_3":"459666.7373","H_HetHFD_2":"967618.2869","H_HetHFD_5":"439242.3882","H_HetHFD_4":"398916.2163","H_HetHFD_6":"339755.3478","H_HetHFD_7":"446139.7047","H_HetHFD_9":"481704.593","H_HetHFD_8":"384921.5334","H_HetHFD_10":"452978.3168","H_WTHFD_1":"397952.6889","H_WTHFD_3":"474305.1294","H_WTHFD_2":"295169.744","H_WTHFD_4":"539105.5877","H_WTHFD_5":"397975.2269","H_WTHFD_6":"352319.481","H_WTHFD_8":"306759.6424","H_WTHFD_7":"323917.6618","H_WTHFD_9":"448289.9065","H_WTHFD_10":"413626.4939"},{"Metabolite":"L-Octanoylcarnitine","H_HetCD_3":"1106132.284","H_HetCD_4":"240964.8036","H_HetCD_5":"755446.4841","H_HetCD_1":"1028828.364","H_HetCD_2":"219615.9751","H_HetCD_6":"1083217.109","H_HetCD_7":"1062543.869","H_HetCD_8":"217300.207","H_HetCD_9":"297734.9672","H_HetCD_10":"367889.2975","H_WTCD_4":"1070235.398","H_WTCD_5":"924331.8523","H_WTCD_3":"139120.9268","H_WTCD_1":"836557.9184","H_WTCD_2":"803350.3355","H_WTCD_6":"256435.9434","H_WTCD_7":"305344.865","H_WTCD_8":"640793.8637","H_WTCD_9":"150080.0609","H_WTCD_10":"986255.1692","H_HetHFD_1":"304816.916","H_HetHFD_3":"1806303.618","H_HetHFD_2":"190815.5564","H_HetHFD_5":"536316.0937","H_HetHFD_4":"192923.1344","H_HetHFD_6":"871421.831","H_HetHFD_7":"753602.5081","H_HetHFD_9":"486133.3518","H_HetHFD_8":"502238.1748","H_HetHFD_10":"156442.8119","H_WTHFD_1":"210875.2539","H_WTHFD_3":"281182.6927","H_WTHFD_2":"639033.0893","H_WTHFD_4":"2237888.586","H_WTHFD_5":"567079.0382","H_WTHFD_6":"244771.2551","H_WTHFD_8":"210597.8344","H_WTHFD_7":"360082.006","H_WTHFD_9":"245359.5159","H_WTHFD_10":"1165136.166"},{"Metabolite":"L-Octanoylcarnitine.2","H_HetCD_3":"9780058.349","H_HetCD_4":"11329004.35","H_HetCD_5":"7148210.114","H_HetCD_1":"6151792.581","H_HetCD_2":"1475730.355","H_HetCD_6":"6642290.691","H_HetCD_7":"5919637.178","H_HetCD_8":"2245756.162","H_HetCD_9":"2044943.359","H_HetCD_10":"2761741.898","H_WTCD_4":"8337633.8","H_WTCD_5":"6292214.607","H_WTCD_3":"907500.4897","H_WTCD_1":"5124354.929","H_WTCD_2":"6376424.492","H_WTCD_6":"9004613.653","H_WTCD_7":"8987153.096","H_WTCD_8":"15182242.14","H_WTCD_9":"7914963.431","H_WTCD_10":"5741317.233","H_HetHFD_1":"12993754.42","H_HetHFD_3":"9840297.321","H_HetHFD_2":"6062900.095","H_HetHFD_5":"3205023.537","H_HetHFD_4":"5676417.16","H_HetHFD_6":"8129633.995","H_HetHFD_7":"4403316.631","H_HetHFD_9":"2990817.133","H_HetHFD_8":"6951721.88","H_HetHFD_10":"6514357.955","H_WTHFD_1":"9084638.053","H_WTHFD_3":"10712670.2","H_WTHFD_2":"3676938.464","H_WTHFD_4":"15463328.61","H_WTHFD_5":"3211052.92","H_WTHFD_6":"10116551.12","H_WTHFD_8":"5891606.262","H_WTHFD_7":"7297951.185","H_WTHFD_9":"6734567.205","H_WTHFD_10":"8815727.91"},{"Metabolite":"Monoiodothyronine","H_HetCD_3":"684088.4619","H_HetCD_4":"735600.2194","H_HetCD_5":"694068.3668","H_HetCD_1":"609686.6942","H_HetCD_2":"1475506.183","H_HetCD_6":"686527.7318","H_HetCD_7":"743738.8052","H_HetCD_8":"704297.811","H_HetCD_9":"829079.6181","H_HetCD_10":"659393.1911","H_WTCD_4":"599862.5698","H_WTCD_5":"747294.2103","H_WTCD_3":"1294125.835","H_WTCD_1":"749121.3764","H_WTCD_2":"1039986.788","H_WTCD_6":"1466457.684","H_WTCD_7":"1088152.28","H_WTCD_8":"1193228.032","H_WTCD_9":"764218.2283","H_WTCD_10":"611316.8599","H_HetHFD_1":"690315.9097","H_HetHFD_3":"782563.0745","H_HetHFD_2":"857055.8288","H_HetHFD_5":"990888.789","H_HetHFD_4":"978363.8684","H_HetHFD_6":"746010.0859","H_HetHFD_7":"694011.0705","H_HetHFD_9":"887942.4622","H_HetHFD_8":"882519.0957","H_HetHFD_10":"595312.2523","H_WTHFD_1":"666549.0823","H_WTHFD_3":"1342593.371","H_WTHFD_2":"1443037.553","H_WTHFD_4":"1260912.708","H_WTHFD_5":"894001.849","H_WTHFD_6":"749852.8415","H_WTHFD_8":"739233.029","H_WTHFD_7":"1028620.577","H_WTHFD_9":"924508.661","H_WTHFD_10":"1026508.333"},{"Metabolite":"N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine","H_HetCD_3":"530023.8504","H_HetCD_4":"561311.7645","H_HetCD_5":"472451.3779","H_HetCD_1":"736299.0868","H_HetCD_2":"382973.352","H_HetCD_6":"542004.2559","H_HetCD_7":"524712.0869","H_HetCD_8":"624163.6134","H_HetCD_9":"564703.5577","H_HetCD_10":"369126.0236","H_WTCD_4":"51655.22581","H_WTCD_5":"33883.73122","H_WTCD_3":"21202.97948","H_WTCD_1":"26579.64302","H_WTCD_2":"27221.46802","H_WTCD_6":"60845.4694","H_WTCD_7":"53762.88502","H_WTCD_8":"39554.07311","H_WTCD_9":"39887.64321","H_WTCD_10":"26235.18938","H_HetHFD_1":"49323.99816","H_HetHFD_3":"532193.5476","H_HetHFD_2":"479529.3416","H_HetHFD_5":"327594.0775","H_HetHFD_4":"436377.0639","H_HetHFD_6":"587523.4573","H_HetHFD_7":"576879.1631","H_HetHFD_9":"520892.8494","H_HetHFD_8":"614997.0674","H_HetHFD_10":"483131.5731","H_WTHFD_1":"608852.9875","H_WTHFD_3":"33356.90068","H_WTHFD_2":"48435.30351","H_WTHFD_4":"25656.68623","H_WTHFD_5":"44279.99004","H_WTHFD_6":"56659.53609","H_WTHFD_8":"52491.71753","H_WTHFD_7":"61022.03966","H_WTHFD_9":"19811.38262","H_WTHFD_10":"35209.18873"},{"Metabolite":"N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic 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315.461","H_HetCD_1":"1264813.691","H_HetCD_2":"2423104.118","H_HetCD_6":"1865937.954","H_HetCD_7":"2269348.938","H_HetCD_8":"2554864.423","H_HetCD_9":"2725171.854","H_HetCD_10":"2234895.532","H_WTCD_4":"2694435.27","H_WTCD_5":"2774221.675","H_WTCD_3":"2321688.193","H_WTCD_1":"3053479.837","H_WTCD_2":"2059443.103","H_WTCD_6":"2458810.316","H_WTCD_7":"2185030.267","H_WTCD_8":"2594439.849","H_WTCD_9":"2591787.092","H_WTCD_10":"2583942.479","H_HetHFD_1":"2738942.432","H_HetHFD_3":"2105331.887","H_HetHFD_2":"2383815.848","H_HetHFD_5":"2671336.012","H_HetHFD_4":"2505112.735","H_HetHFD_6":"2687653.783","H_HetHFD_7":"2758139.388","H_HetHFD_9":"2487457.982","H_HetHFD_8":"2787083.452","H_HetHFD_10":"2583240.789","H_WTHFD_1":"692213.6948","H_WTHFD_3":"1294883.851","H_WTHFD_2":"121487.294","H_WTHFD_4":"1049140.004","H_WTHFD_5":"1162290.235","H_WTHFD_6":"288493.1375","H_WTHFD_8":"230867.7284","H_WTHFD_7":"298374.3466","H_WTHFD_9":"745827.5362","H_WTHFD_10":"479968.8762"},{"Metabolite":"Fucose 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hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;5-Oxoprolinate;1-Pyrroline-4-hydroxy-2-carboxylate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic 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hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic 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acid;Alanyl-Threonine;Threoninyl-Alanine;N-(gamma-Glutamyl)ethanolamine;2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic 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Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate","H_HetCD_3":"11472907.94","H_HetCD_4":"11447012.01","H_HetCD_5":"9832560.639","H_HetCD_1":"20313772.94","H_HetCD_2":"13836089.41","H_HetCD_6":"8565405.707","H_HetCD_7":"9475863.137","H_HetCD_8":"15513618.72","H_HetCD_9":"14971977.53","H_HetCD_10":"13004765.23","H_WTCD_4":"5658608.627","H_WTCD_5":"6540933.722","H_WTCD_3":"10330003.7","H_WTCD_1":"7033673.843","H_WTCD_2":"7408922.839","H_WTCD_6":"4226699.057","H_WTCD_7":"4322349.078","H_WTCD_8":"4457159.982","H_WTCD_9":"6497484.569","H_WTCD_10":"5465186.093","H_HetHFD_1":"9045552.836","H_HetHFD_3":"14505301.46","H_HetHFD_2":"12943189.72","H_HetHFD_5":"15068115.89","H_HetHFD_4":"13692972.61","H_HetHFD_6":"12573372.41","H_HetHFD_7":"14515966.25","H_HetHFD_9":"14874486.39","H_HetHFD_8":"16271905.74","H_HetHFD_10":"12896782.74","H_WTHFD_1":"17813478.78","H_WTHFD_3":"13803173.18","H_WTHFD_2":"8167848.493","H_WTHFD_4":"12568979.5","H_WTHFD_5":"12061918.72","H_WTHFD_6":"8827332.185","H_WTHFD_8":"7829296.306","H_WTHFD_7":"8932706.488","H_WTHFD_9":"7345343.145","H_WTHFD_10":"9172751.722"},{"Metabolite":"DL-O-Phosphoserine","H_HetCD_3":"4200.502073","H_HetCD_4":"4249.552702","H_HetCD_5":"5101.909227","H_HetCD_1":"4159.725676","H_HetCD_2":"3355.607746","H_HetCD_6":"6805.817284","H_HetCD_7":"4845.769012","H_HetCD_8":"6312.443643","H_HetCD_9":"7909.224352","H_HetCD_10":"4775.698439","H_WTCD_4":"3812.895032","H_WTCD_5":"3958.069665","H_WTCD_3":"4062.118371","H_WTCD_1":"3892.931536","H_WTCD_2":"3849.228887","H_WTCD_6":"3961.246935","H_WTCD_7":"4594.933886","H_WTCD_8":"5072.286338","H_WTCD_9":"4303.327109","H_WTCD_10":"4088.979992","H_HetHFD_1":"7709.184872","H_HetHFD_3":"13534.08601","H_HetHFD_2":"34880.6438","H_HetHFD_5":"8109.077734","H_HetHFD_4":"18619.30127","H_HetHFD_6":"30777.32986","H_HetHFD_7":"12540.09862","H_HetHFD_9":"37426.81602","H_HetHFD_8":"6948.062345","H_HetHFD_10":"4870.201284","H_WTHFD_1":"236630.5278","H_WTHFD_3":"1181720.125","H_WTHFD_2":"673039.0488","H_WTHFD_4":"445690.5644","H_WTHFD_5":"1600873.932","H_WTHFD_6":"1157390.301","H_WTHFD_8":"678481.6847","H_WTHFD_7":"122065.3698","H_WTHFD_9":"424680.4188","H_WTHFD_10":"106072.4013"},{"Metabolite":"DL-O-Phosphoserine.2","H_HetCD_3":"6187.095852","H_HetCD_4":"5994.444832","H_HetCD_5":"6188.514291","H_HetCD_1":"5391.241693","H_HetCD_2":"4017.095343","H_HetCD_6":"8163.942834","H_HetCD_7":"5887.471211","H_HetCD_8":"7234.813007","H_HetCD_9":"8496.432302","H_HetCD_10":"5728.706405","H_WTCD_4":"6131.236205","H_WTCD_5":"5483.390111","H_WTCD_3":"5175.815393","H_WTCD_1":"6496.017746","H_WTCD_2":"7331.014644","H_WTCD_6":"5585.597827","H_WTCD_7":"5822.47807","H_WTCD_8":"6084.479495","H_WTCD_9":"5325.278963","H_WTCD_10":"5105.469636","H_HetHFD_1":"6755.282474","H_HetHFD_3":"95468.01818","H_HetHFD_2":"45070.0766","H_HetHFD_5":"17466.25903","H_HetHFD_4":"20186.03429","H_HetHFD_6":"39355.65275","H_HetHFD_7":"28748.51889","H_HetHFD_9":"67422.97056","H_HetHFD_8":"8334.573416","H_HetHFD_10":"15850.67142","H_WTHFD_1":"387915.168","H_WTHFD_3":"1197821.082","H_WTHFD_2":"779690.081","H_WTHFD_4":"622064.1471","H_WTHFD_5":"556078.3421","H_WTHFD_6":"680619.2135","H_WTHFD_8":"647160.7973","H_WTHFD_7":"2176652.751","H_WTHFD_9":"561797.1384","H_WTHFD_10":"155040.5269"},{"Metabolite":"Phenylpropanolamine;N-Methyltyramine;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;2-(2-Furanyl)piperidine;N-Methylphenylethanolamine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;1-Furfurylpyrrolidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;4-Hydroxyamphetamine;N-methylphenylethanolaminium","H_HetCD_3":"2683225.962","H_HetCD_4":"2216874.746","H_HetCD_5":"1767408.363","H_HetCD_1":"2043936.332","H_HetCD_2":"2516104.087","H_HetCD_6":"2088950.367","H_HetCD_7":"2410375.2","H_HetCD_8":"2928510.329","H_HetCD_9":"2614196.011","H_HetCD_10":"2340437.782","H_WTCD_4":"2462177.934","H_WTCD_5":"2722521.425","H_WTCD_3":"2141995.75","H_WTCD_1":"2651515.878","H_WTCD_2":"2269340.503","H_WTCD_6":"2252280.894","H_WTCD_7":"2023910.764","H_WTCD_8":"2215293.358","H_WTCD_9":"2403195.13","H_WTCD_10":"2483698.24","H_HetHFD_1":"2408966.778","H_HetHFD_3":"2175256.951","H_HetHFD_2":"1890593.6","H_HetHFD_5":"2698961.515","H_HetHFD_4":"2095979.03","H_HetHFD_6":"2474959.61","H_HetHFD_7":"2506472.359","H_HetHFD_9":"2205295.991","H_HetHFD_8":"3035852.841","H_HetHFD_10":"2622525.256","H_WTHFD_1":"1733928.449","H_WTHFD_3":"2021815.13","H_WTHFD_2":"2430839.385","H_WTHFD_4":"1953100.703","H_WTHFD_5":"2001070.523","H_WTHFD_6":"1724598.842","H_WTHFD_8":"2206829.238","H_WTHFD_7":"2250707.205","H_WTHFD_9":"2026091.607","H_WTHFD_10":"2141441.738"},{"Metabolite":"Chlorate","H_HetCD_3":"35432.89695","H_HetCD_4":"39821.2616","H_HetCD_5":"34044.31044","H_HetCD_1":"26934.2566","H_HetCD_2":"294996.1434","H_HetCD_6":"24951.1854","H_HetCD_7":"28208.39961","H_HetCD_8":"39259.75545","H_HetCD_9":"43860.41916","H_HetCD_10":"33850.15508","H_WTCD_4":"32969.38887","H_WTCD_5":"100250.2339","H_WTCD_3":"39898.28934","H_WTCD_1":"23866.9688","H_WTCD_2":"4558697.303","H_WTCD_6":"26897.69775","H_WTCD_7":"29361.31887","H_WTCD_8":"27806.45737","H_WTCD_9":"69646.10941","H_WTCD_10":"61579.62419","H_HetHFD_1":"35770.56985","H_HetHFD_3":"35742.13388","H_HetHFD_2":"38904.62146","H_HetHFD_5":"29140.97728","H_HetHFD_4":"29201.3711","H_HetHFD_6":"41848.04118","H_HetHFD_7":"166856.785","H_HetHFD_9":"69318.26124","H_HetHFD_8":"50383.41917","H_HetHFD_10":"49779.0385","H_WTHFD_1":"38981.15539","H_WTHFD_3":"39400.78616","H_WTHFD_2":"46118.21138","H_WTHFD_4":"217404.6624","H_WTHFD_5":"52683.43489","H_WTHFD_6":"37081.47538","H_WTHFD_8":"36798.50797","H_WTHFD_7":"40272.38906","H_WTHFD_9":"38632.48472","H_WTHFD_10":"142621.3625"},{"Metabolite":"N(6)-Methyllysine;Putreanine;Bethanechol;Isoputreanine","H_HetCD_3":"146503.5603","H_HetCD_4":"319069.5671","H_HetCD_5":"140130.3887","H_HetCD_1":"126613.9878","H_HetCD_2":"82817.1298","H_HetCD_6":"6928170.81","H_HetCD_7":"10967989.77","H_HetCD_8":"7610952.014","H_HetCD_9":"11638396.48","H_HetCD_10":"9052789.198","H_WTCD_4":"6976327.43","H_WTCD_5":"7410386.349","H_WTCD_3":"3059981.606","H_WTCD_1":"8178572.853","H_WTCD_2":"6941474.628","H_WTCD_6":"107357.9756","H_WTCD_7":"1008430.766","H_WTCD_8":"241815.7895","H_WTCD_9":"918924.7736","H_WTCD_10":"94374.13923","H_HetHFD_1":"161015.1369","H_HetHFD_3":"101283.4762","H_HetHFD_2":"2519585.495","H_HetHFD_5":"246970.875","H_HetHFD_4":"90314.11967","H_HetHFD_6":"220425.4739","H_HetHFD_7":"166311.4505","H_HetHFD_9":"159872.5755","H_HetHFD_8":"3948982.448","H_HetHFD_10":"251929.914","H_WTHFD_1":"187798.2589","H_WTHFD_3":"1157596.753","H_WTHFD_2":"1254050.66","H_WTHFD_4":"1787527.479","H_WTHFD_5":"214945.3483","H_WTHFD_6":"1214693.61","H_WTHFD_8":"97021.65416","H_WTHFD_7":"107205.3303","H_WTHFD_9":"159870.0434","H_WTHFD_10":"167804.2969"},{"Metabolite":"N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine","H_HetCD_3":"11330795.36","H_HetCD_4":"10656804.52","H_HetCD_5":"10238257.49","H_HetCD_1":"11077281.7","H_HetCD_2":"5899514.861","H_HetCD_6":"8654038.368","H_HetCD_7":"5053286.307","H_HetCD_8":"8252622.616","H_HetCD_9":"6045679.405","H_HetCD_10":"11313243.73","H_WTCD_4":"10133542.08","H_WTCD_5":"12747652.02","H_WTCD_3":"8586034.245","H_WTCD_1":"12839940.6","H_WTCD_2":"12607354.13","H_WTCD_6":"10044946.09","H_WTCD_7":"11122679.86","H_WTCD_8":"11556448.23","H_WTCD_9":"11765150.49","H_WTCD_10":"8172426.577","H_HetHFD_1":"12530095.21","H_HetHFD_3":"14031922.01","H_HetHFD_2":"8978361.533","H_HetHFD_5":"15535315.34","H_HetHFD_4":"12554907.45","H_HetHFD_6":"10847383.27","H_HetHFD_7":"13280222.76","H_HetHFD_9":"11656332.17","H_HetHFD_8":"7689530.449","H_HetHFD_10":"11368603.53","H_WTHFD_1":"13542823.66","H_WTHFD_3":"15011906.09","H_WTHFD_2":"10319420.1","H_WTHFD_4":"14993109.95","H_WTHFD_5":"12579214.31","H_WTHFD_6":"9614931.652","H_WTHFD_8":"10682664.54","H_WTHFD_7":"10277531.71","H_WTHFD_9":"10535629.24","H_WTHFD_10":"11727441.55"},{"Metabolite":"Malonylcarnitine;O-malonyl-L-carnitine;Linamarin","H_HetCD_3":"11810207.93","H_HetCD_4":"12411385.24","H_HetCD_5":"10483004.6","H_HetCD_1":"9338272.819","H_HetCD_2":"4866130.477","H_HetCD_6":"9421008.383","H_HetCD_7":"12175774.46","H_HetCD_8":"7568543.393","H_HetCD_9":"8257790.792","H_HetCD_10":"11562466.43","H_WTCD_4":"19330871.21","H_WTCD_5":"21925161.21","H_WTCD_3":"19850943.88","H_WTCD_1":"20601168.37","H_WTCD_2":"21122409.8","H_WTCD_6":"20820526.27","H_WTCD_7":"19029909.59","H_WTCD_8":"20211551.92","H_WTCD_9":"19885361.02","H_WTCD_10":"17563442.29","H_HetHFD_1":"21921514.24","H_HetHFD_3":"16297558.59","H_HetHFD_2":"13160160.23","H_HetHFD_5":"10012298.8","H_HetHFD_4":"14288054.65","H_HetHFD_6":"13188698.64","H_HetHFD_7":"11268191.26","H_HetHFD_9":"10866295.94","H_HetHFD_8":"12067900.06","H_HetHFD_10":"13069113.89","H_WTHFD_1":"17468576.4","H_WTHFD_3":"20928390.64","H_WTHFD_2":"18059620.67","H_WTHFD_4":"24825786.51","H_WTHFD_5":"17699118.67","H_WTHFD_6":"17491667.46","H_WTHFD_8":"18549759.85","H_WTHFD_7":"20008923.53","H_WTHFD_9":"25433128.96","H_WTHFD_10":"20312000.91"},{"Metabolite":"S-(2-carboxypropyl)-Cysteamine;S-Propyl-L-cysteine;L-2-Amino-5-(methylthio)pentanoic acid;S-Methylmethionine","H_HetCD_3":"341096.3688","H_HetCD_4":"281680.5283","H_HetCD_5":"229268.5446","H_HetCD_1":"190085.3996","H_HetCD_2":"95898.36854","H_HetCD_6":"240802.2703","H_HetCD_7":"312906.6855","H_HetCD_8":"125454.9068","H_HetCD_9":"130997.6744","H_HetCD_10":"157321.5668","H_WTCD_4":"444901.1064","H_WTCD_5":"596666.6861","H_WTCD_3":"328691.0113","H_WTCD_1":"463855.9979","H_WTCD_2":"457496.9741","H_WTCD_6":"449804.7411","H_WTCD_7":"505519.0114","H_WTCD_8":"573396.1134","H_WTCD_9":"602065.897","H_WTCD_10":"318558.7806","H_HetHFD_1":"513662.5831","H_HetHFD_3":"423802.5277","H_HetHFD_2":"361331.9658","H_HetHFD_5":"439520.3663","H_HetHFD_4":"303092.8027","H_HetHFD_6":"395319.3496","H_HetHFD_7":"490210.5836","H_HetHFD_9":"451069.8535","H_HetHFD_8":"428776.719","H_HetHFD_10":"451506.2858","H_WTHFD_1":"422957.0971","H_WTHFD_3":"1107030.414","H_WTHFD_2":"815487.7005","H_WTHFD_4":"1006981.4","H_WTHFD_5":"604531.5098","H_WTHFD_6":"781372.5629","H_WTHFD_8":"798223.9607","H_WTHFD_7":"926277.7517","H_WTHFD_9":"665225.4946","H_WTHFD_10":"545893.0828"},{"Metabolite":"3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;Ethyl (±)-3-hydroxyoctanoate;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;2,6-Dimethyl-7-octene-2,3,6-triol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid","H_HetCD_3":"381314.4456","H_HetCD_4":"400006.531","H_HetCD_5":"174340.6704","H_HetCD_1":"194022.0865","H_HetCD_2":"183190.9588","H_HetCD_6":"211233.1023","H_HetCD_7":"379342.495","H_HetCD_8":"73617.87546","H_HetCD_9":"88045.87529","H_HetCD_10":"116478.7569","H_WTCD_4":"308945.8085","H_WTCD_5":"392009.8657","H_WTCD_3":"30803.36948","H_WTCD_1":"128587.3274","H_WTCD_2":"65627.58533","H_WTCD_6":"445048.3373","H_WTCD_7":"375935.3522","H_WTCD_8":"379204.5923","H_WTCD_9":"395168.2086","H_WTCD_10":"218866.2557","H_HetHFD_1":"734604.6807","H_HetHFD_3":"274379.5927","H_HetHFD_2":"156018.0529","H_HetHFD_5":"269322.2641","H_HetHFD_4":"183963.573","H_HetHFD_6":"436617.823","H_HetHFD_7":"371835.3873","H_HetHFD_9":"361090.9609","H_HetHFD_8":"503959.3904","H_HetHFD_10":"202294.1826","H_WTHFD_1":"464309.666","H_WTHFD_3":"421799.696","H_WTHFD_2":"259997.3445","H_WTHFD_4":"553716.7505","H_WTHFD_5":"106958.9544","H_WTHFD_6":"397735.1374","H_WTHFD_8":"239061.1368","H_WTHFD_7":"375744.9663","H_WTHFD_9":"332470.3285","H_WTHFD_10":"599340.0749"},{"Metabolite":"Imidazolelactic acid;4-Imidazolone-5-propionic 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acid;4-Imidazolone-5-propionic 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etHFD_6":"604416.9648","H_HetHFD_7":"343193.6069","H_HetHFD_9":"374598.1576","H_HetHFD_8":"830700.951","H_HetHFD_10":"406669.6112","H_WTHFD_1":"1269906.809","H_WTHFD_3":"690682.5512","H_WTHFD_2":"1146810.666","H_WTHFD_4":"737910.6184","H_WTHFD_5":"1183188.951","H_WTHFD_6":"544690.1011","H_WTHFD_8":"671113.5928","H_WTHFD_7":"782639.8025","H_WTHFD_9":"461739.5713","H_WTHFD_10":"488425.7337"},{"Metabolite":"(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;(-)-Salsoline;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 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methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;(-)-Salsoline;Butyl 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hydrogen 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sulfonyl urea","H_HetCD_3":"1526592.734","H_HetCD_4":"1960302.85","H_HetCD_5":"2295601.222","H_HetCD_1":"1796924.933","H_HetCD_2":"1281426.712","H_HetCD_6":"2198841.509","H_HetCD_7":"1468923.275","H_HetCD_8":"314068.2742","H_HetCD_9":"2314562.508","H_HetCD_10":"1804465.701","H_WTCD_4":"2561730.53","H_WTCD_5":"1638696.993","H_WTCD_3":"2634195.287","H_WTCD_1":"2258395.763","H_WTCD_2":"1856300.693","H_WTCD_6":"1738309.94","H_WTCD_7":"2103136.246","H_WTCD_8":"2702891.852","H_WTCD_9":"2191123.426","H_WTCD_10":"2168417.688","H_HetHFD_1":"1736475.838","H_HetHFD_3":"1672851.492","H_HetHFD_2":"2423495.416","H_HetHFD_5":"1896532.679","H_HetHFD_4":"1981840.018","H_HetHFD_6":"1627885.087","H_HetHFD_7":"1715315.821","H_HetHFD_9":"1298661.991","H_HetHFD_8":"1483102.084","H_HetHFD_10":"2068589.327","H_WTHFD_1":"1373940.343","H_WTHFD_3":"1872103.15","H_WTHFD_2":"1662257.598","H_WTHFD_4":"2528357.999","H_WTHFD_5":"1779796.903","H_WTHFD_6":"1827365.572","H_WTHFD_8":"1938386.759","H_WTHFD_7":"1440693.843","H_WTHFD_9":"1500171.076","H_WTHFD_10":"1906389.978"},{"Metabolite":"Trifluoroacetic 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acid;Ethyl isopropyl disulfide;Ethyl propyl 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;Alanyl-Aspartic 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abolite":"Threoninyl-Leucine;Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Isoleucine;Spermic 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2-furoate;5-Methylfuran-2-carboxylic acid;benzene-1,2,4-triol;5-Hydroxymethyl-2-furancarboxaldehyde;4-Hydroxy-2H-pyran-3-carboxaldehyde;(Z)-Tamarindienal","H_HetCD_3":"172635.9188","H_HetCD_4":"58079.11669","H_HetCD_5":"233900.0842","H_HetCD_1":"128545.9979","H_HetCD_2":"112260.5014","H_HetCD_6":"316476.1704","H_HetCD_7":"102707.6654","H_HetCD_8":"245541.0563","H_HetCD_9":"272749.3168","H_HetCD_10":"1259260.51","H_WTCD_4":"239080.3952","H_WTCD_5":"56211.47875","H_WTCD_3":"1411759.35","H_WTCD_1":"78597.22094","H_WTCD_2":"91507.17949","H_WTCD_6":"492373.2396","H_WTCD_7":"2023284.205","H_WTCD_8":"661421.5786","H_WTCD_9":"3169377.169","H_WTCD_10":"437091.2416","H_HetHFD_1":"54003.85148","H_HetHFD_3":"637797.0987","H_HetHFD_2":"310319.6233","H_HetHFD_5":"71073.88372","H_HetHFD_4":"204856.1318","H_HetHFD_6":"352170.2455","H_HetHFD_7":"99495.10946","H_HetHFD_9":"1302539.886","H_HetHFD_8":"136728.7799","H_HetHFD_10":"105424.8596","H_WTHFD_1":"26458.59433","H_WTHFD_3":"342065.1901","H_WTHFD_2":"46161.09297","H_WTHFD_4":"82342.09246","H_WTHFD_5":"686915.4032","H_WTHFD_6":"65308.8483","H_WTHFD_8":"82385.75618","H_WTHFD_7":"336261.352","H_WTHFD_9":"70054.95823","H_WTHFD_10":"23212.39308"},{"Metabolite":"Garcinia acid","H_HetCD_3":"6081932.409","H_HetCD_4":"5529499.952","H_HetCD_5":"6893841.164","H_HetCD_1":"6472138.547","H_HetCD_2":"6105751.931","H_HetCD_6":"5823107.859","H_HetCD_7":"5967922.488","H_HetCD_8":"5666601.894","H_HetCD_9":"5191350.826","H_HetCD_10":"4950994.818","H_WTCD_4":"4736134.042","H_WTCD_5":"4751125.223","H_WTCD_3":"5846241.453","H_WTCD_1":"5576526.985","H_WTCD_2":"5947146.137","H_WTCD_6":"5338964.209","H_WTCD_7":"5823081.238","H_WTCD_8":"4994479.717","H_WTCD_9":"4033433.184","H_WTCD_10":"4914163.865","H_HetHFD_1":"5380373.094","H_HetHFD_3":"5946838.161","H_HetHFD_2":"5649588.071","H_HetHFD_5":"3460697.213","H_HetHFD_4":"5355474.845","H_HetHFD_6":"5008394.533","H_HetHFD_7":"3911112.035","H_HetHFD_9":"4631880.406","H_HetHFD_8":"5033962.266","H_HetHFD_10":"4723691.409","H_WTHFD_1":"5334535.836","H_WTHFD_3":"5839396.556","H_WTHFD_2":"3585887.026","H_WTHFD_4":"6252192.095","H_WTHFD_5":"5241442.064","H_WTHFD_6":"3763996.843","H_WTHFD_8":"3991794.48","H_WTHFD_7":"3145238.531","H_WTHFD_9":"6120115.393","H_WTHFD_10":"4968860.823"},{"Metabolite":"6-Hydroxy-1H-indole-3-acetamide","H_HetCD_3":"120938.3853","H_HetCD_4":"118206.1789","H_HetCD_5":"221133.6742","H_HetCD_1":"219101.4043","H_HetCD_2":"1633840.418","H_HetCD_6":"97418.0526","H_HetCD_7":"151095.606","H_HetCD_8":"87251.92918","H_HetCD_9":"111535.0351","H_HetCD_10":"107419.8061","H_WTCD_4":"98280.09797","H_WTCD_5":"189995.9124","H_WTCD_3":"137413.4104","H_WTCD_1":"194869.6119","H_WTCD_2":"126774.0885","H_WTCD_6":"211641.7015","H_WTCD_7":"173842.311","H_WTCD_8":"80184.03938","H_WTCD_9":"100571.8256","H_WTCD_10":"419244.2753","H_HetHFD_1":"512699.4246","H_HetHFD_3":"409335.5548","H_HetHFD_2":"2020714.338","H_HetHFD_5":"109468.8581","H_HetHFD_4":"93901.59851","H_HetHFD_6":"119251.5327","H_HetHFD_7":"96424.21638","H_HetHFD_9":"169799.9592","H_HetHFD_8":"102065.438","H_HetHFD_10":"80475.99585","H_WTHFD_1":"102457.9453","H_WTHFD_3":"193443.3619","H_WTHFD_2":"68754.27283","H_WTHFD_4":"623196.6972","H_WTHFD_5":"131030.7799","H_WTHFD_6":"51830.07215","H_WTHFD_8":"76101.72841","H_WTHFD_7":"61346.20147","H_WTHFD_9":"310626.4369","H_WTHFD_10":"120394.2284"},{"Metabolite":"6-Hydroxy-1H-indole-3-acetamide.2","H_HetCD_3":"118720.9409","H_HetCD_4":"109783.8466","H_HetCD_5":"371670.2382","H_HetCD_1":"316593.4403","H_HetCD_2":"3627819.71","H_HetCD_6":"63094.29565","H_HetCD_7":"188497.114","H_HetCD_8":"103222.8387","H_HetCD_9":"125108.0558","H_HetCD_10":"70942.12524","H_WTCD_4":"72329.14343","H_WTCD_5":"325591.3172","H_WTCD_3":"188280.6136","H_WTCD_1":"243612.3395","H_WTCD_2":"143009.1342","H_WTCD_6":"274186.0263","H_WTCD_7":"244463.2777","H_WTCD_8":"89966.71085","H_WTCD_9":"100709.1837","H_WTCD_10":"539480.2677","H_HetHFD_1":"632210.6898","H_HetHFD_3":"628431.2579","H_HetHFD_2":"3478194.885","H_HetHFD_5":"169883.5976","H_HetHFD_4":"129680.3399","H_HetHFD_6":"129918.0499","H_HetHFD_7":"124546.3194","H_HetHFD_9":"198009.633","H_HetHFD_8":"91360.27144","H_HetHFD_10":"55267.73287","H_WTHFD_1":"65085.32514","H_WTHFD_3":"235718.4324","H_WTHFD_2":"50041.65494","H_WTHFD_4":"505051.5393","H_WTHFD_5":"124806.1665","H_WTHFD_6":"62956.68746","H_WTHFD_8":"68143.97608","H_WTHFD_7":"33243.03939","H_WTHFD_9":"418504.2236","H_WTHFD_10":"126266.9611"},{"Metabolite":"1,2,3-Propanetricarboxylic 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HFD_8":"543385.5831","H_HetHFD_10":"977725.0431","H_WTHFD_1":"1133975.762","H_WTHFD_3":"1601036.823","H_WTHFD_2":"950852.8976","H_WTHFD_4":"1065755.508","H_WTHFD_5":"1190189.099","H_WTHFD_6":"728987.8778","H_WTHFD_8":"836672.2845","H_WTHFD_7":"561397.1336","H_WTHFD_9":"957182.124","H_WTHFD_10":"956680.492"},{"Metabolite":"N-phosphocreatinate(2-)","H_HetCD_3":"923198.5412","H_HetCD_4":"1432581.275","H_HetCD_5":"241878.9957","H_HetCD_1":"403913.1142","H_HetCD_2":"3540959.981","H_HetCD_6":"122800.9969","H_HetCD_7":"103859.5649","H_HetCD_8":"71630.00387","H_HetCD_9":"145914.6555","H_HetCD_10":"28658.48188","H_WTCD_4":"67936.96823","H_WTCD_5":"9372.638345","H_WTCD_3":"36401.67317","H_WTCD_1":"522081.9876","H_WTCD_2":"120886.2405","H_WTCD_6":"27817.44575","H_WTCD_7":"31731.09728","H_WTCD_8":"50313.68638","H_WTCD_9":"36764.73379","H_WTCD_10":"75556.84963","H_HetHFD_1":"73564.56558","H_HetHFD_3":"122706.4354","H_HetHFD_2":"79381.45334","H_HetHFD_5":"31133.96523","H_HetHFD_4":"38603.2084","H_HetHFD_6":"59296.92051","H_HetHFD_7":"30214.16433","H_HetHFD_9":"58457.44271","H_HetHFD_8":"54268.68388","H_HetHFD_10":"30492.66237","H_WTHFD_1":"1143084.868","H_WTHFD_3":"138747.2599","H_WTHFD_2":"31723.61181","H_WTHFD_4":"128091.7029","H_WTHFD_5":"122075.9737","H_WTHFD_6":"67255.82084","H_WTHFD_8":"56533.94324","H_WTHFD_7":"9373.776941","H_WTHFD_9":"577878.8146","H_WTHFD_10":"32461.14561"},{"Metabolite":"N-methyl-L-glutamic 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acid;{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic 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"Metabolites":[{"metabolite_name":"Deoxyuridine"},{"metabolite_name":"Ureidopropionic acid"},{"metabolite_name":"Carnosine"},{"metabolite_name":"Adenine"},{"metabolite_name":"Betaine"},{"metabolite_name":"Adenosine monophosphate"},{"metabolite_name":"Adenosine"},{"metabolite_name":"Argininosuccinic acid"},{"metabolite_name":"Cyclic AMP"},{"metabolite_name":"L-Carnitine"},{"metabolite_name":"Creatine"},{"metabolite_name":"Deoxyinosine"},{"metabolite_name":"cis-Aconitic acid"},{"metabolite_name":"Glycerophosphocholine"},{"metabolite_name":"Cytidine"},{"metabolite_name":"Citric acid"},{"metabolite_name":"Cytidine monophosphate"},{"metabolite_name":"Choline"},{"metabolite_name":"L-Cystathionine"},{"metabolite_name":"Deoxyadenosine"},{"metabolite_name":"D-Glucose"},{"metabolite_name":"Glycine"},{"metabolite_name":"Fructose 6-phosphate"},{"metabolite_name":"Glutathione"},{"metabolite_name":"Glycerol 3-phosphate"},{"metabolite_name":"D-Glucuronic acid"},{"metabolite_name":"Guanidoacetic acid"},{"metabolite_name":"Guanine"},{"metabolite_name":"Guanosine"},{"metabolite_name":"Fumaric acid"},{"metabolite_name":"L-Glutamic acid"},{"metabolite_name":"Hypoxanthine"},{"metabolite_name":"L-Tyrosine"},{"metabolite_name":"L-Phenylalanine"},{"metabolite_name":"L-Alanine"},{"metabolite_name":"L-Proline"},{"metabolite_name":"L-Threonine"},{"metabolite_name":"L-Asparagine"},{"metabolite_name":"L-Isoleucine"},{"metabolite_name":"Inosinic acid"},{"metabolite_name":"L-Histidine"},{"metabolite_name":"L-Lysine"},{"metabolite_name":"L-Serine"},{"metabolite_name":"L-Lactic acid"},{"metabolite_name":"L-Aspartic acid"},{"metabolite_name":"L-Cystine"},{"metabolite_name":"Inosine"},{"metabolite_name":"L-Acetylcarnitine"},{"metabolite_name":"N6-Acetyl-L-lysine"},{"metabolite_name":"Oxoglutaric acid"},{"metabolite_name":"Pantothenic acid"},{"metabolite_name":"Ornithine"},{"metabolite_name":"N-Acetyl-D-glucosamine"},{"metabolite_name":"NADP"},{"metabolite_name":"Palmitic acid"},{"metabolite_name":"NADPH"},{"metabolite_name":"Oxalacetic acid"},{"metabolite_name":"O-Phosphoethanolamine"},{"metabolite_name":"Orotic acid"},{"metabolite_name":"Nicotinamide ribotide"},{"metabolite_name":"Thiamine"},{"metabolite_name":"Pyruvic acid"},{"metabolite_name":"Riboflavin"},{"metabolite_name":"Taurine"},{"metabolite_name":"Succinic acid"},{"metabolite_name":"Thymine"},{"metabolite_name":"Phosphoenolpyruvic acid"},{"metabolite_name":"Pyroglutamic acid"},{"metabolite_name":"Thymidine"},{"metabolite_name":"D-Ribose"},{"metabolite_name":"Uridine diphosphate glucose"},{"metabolite_name":"Uridine 5''-monophosphate"},{"metabolite_name":"Uric acid"},{"metabolite_name":"Uridine diphosphate-N-acetylglucosamine"},{"metabolite_name":"Xanthine"},{"metabolite_name":"Uridine 5''-diphosphate"},{"metabolite_name":"Uridine"},{"metabolite_name":"Uracil"},{"metabolite_name":"Urocanic acid"},{"metabolite_name":"3-Hydroxymethylglutaric acid"},{"metabolite_name":"Allantoin"},{"metabolite_name":"3-Methylhistidine"},{"metabolite_name":"Caprylic acid"},{"metabolite_name":"Aminoadipic acid"},{"metabolite_name":"L-Arginine"},{"metabolite_name":"Adenosine triphosphate"},{"metabolite_name":"Creatinine"},{"metabolite_name":"Galactonic acid"},{"metabolite_name":"D-2-Hydroxyglutaric acid"},{"metabolite_name":"D-Ribulose 5-phosphate"},{"metabolite_name":"Gluconic acid"},{"metabolite_name":"Cytosine"},{"metabolite_name":"L-Glutamine"},{"metabolite_name":"D-Fructose"},{"metabolite_name":"Indolelactic acid"},{"metabolite_name":"Indoxyl sulfate"},{"metabolite_name":"L-Kynurenine"},{"metabolite_name":"L-Leucine"},{"metabolite_name":"Isovalerylcarnitine"},{"metabolite_name":"L-Methionine"},{"metabolite_name":"1-Methylnicotinamide"},{"metabolite_name":"Hexanoylcarnitine"},{"metabolite_name":"Hippuric acid"},{"metabolite_name":"L-Pipecolic acid"},{"metabolite_name":"L-Homoserine"},{"metabolite_name":"4-Hydroxyproline"},{"metabolite_name":"Malic acid"},{"metabolite_name":"N-Acetyl-L-alanine"},{"metabolite_name":"3-Phosphoglyceric acid"},{"metabolite_name":"N-Acetyl-L-aspartic acid"},{"metabolite_name":"Propionylcarnitine"},{"metabolite_name":"Ureidosuccinic acid"},{"metabolite_name":"Nicotinamide riboside"},{"metabolite_name":"L-Valine"},{"metabolite_name":"NAD"},{"metabolite_name":"Citrulline"},{"metabolite_name":"L-Tryptophan"},{"metabolite_name":"Uridine diphosphate glucuronic acid"},{"metabolite_name":"S-Adenosylhomocysteine"},{"metabolite_name":"Hypotaurine"},{"metabolite_name":"N-Formyl-L-methionine"},{"metabolite_name":"Deoxyribose 5-phosphate"},{"metabolite_name":"Fructose 1,6-bisphosphate"},{"metabolite_name":"N-Acetylaspartylglutamic acid"},{"metabolite_name":"D-Sedoheptulose 7-phosphate"},{"metabolite_name":"D-Glyceraldehyde 3-phosphate"},{"metabolite_name":"N-Acetylglutamic acid"},{"metabolite_name":"4-Trimethylammoniobutanoic acid"},{"metabolite_name":"S-Adenosylmethionine"},{"metabolite_name":"Guanosine diphosphate"},{"metabolite_name":"Acetyl-CoA"},{"metabolite_name":"5-Thymidylic acid"},{"metabolite_name":"FAD"},{"metabolite_name":"Glucosamine 6-phosphate"},{"metabolite_name":"6-Phosphogluconic acid"},{"metabolite_name":"D-Erythrose 4-phosphate"},{"metabolite_name":"N6,N6,N6-Trimethyl-L-lysine"},{"metabolite_name":"ADP"},{"metabolite_name":"Purine"},{"metabolite_name":"N-Acetyl-glucosamine 1-phosphate"},{"metabolite_name":"Guanosine monophosphate"},{"metabolite_name":"Glucose 6-phosphate"},{"metabolite_name":"Niacinamide"},{"metabolite_name":"Citicoline"},{"metabolite_name":"Coenzyme A"},{"metabolite_name":"NADH"},{"metabolite_name":"Phosphocreatine"},{"metabolite_name":"Glucosamine"},{"metabolite_name":"AICAR"},{"metabolite_name":"Flavin Mononucleotide"},{"metabolite_name":"Asymmetric dimethylarginine"},{"metabolite_name":"D-Ribose 5-phosphate"},{"metabolite_name":"CDP-Ethanolamine"},{"metabolite_name":"Phosphorylcholine"},{"metabolite_name":"2-Hydroxycaproic acid"},{"metabolite_name":"2-Hydroxyvaleric acid"},{"metabolite_name":"Acetylcysteine"},{"metabolite_name":"Butyrylcarnitine"},{"metabolite_name":"Imidazoleacetic acid"},{"metabolite_name":"N-Acetylputrescine"},{"metabolite_name":"Thiamine monophosphate"},{"metabolite_name":"1-Methyladenosine"},{"metabolite_name":"Oxidized glutathione"},{"metabolite_name":"L-Dihydroorotic acid"},{"metabolite_name":"GDP-glucose"},{"metabolite_name":"N-Acetylornithine"},{"metabolite_name":"N-Acetylasparagine"},{"metabolite_name":"N-Acetylglutamine"},{"metabolite_name":"L-Glyceric acid"},{"metabolite_name":"ADP-glucose"},{"metabolite_name":"N-Acetyl-L-methionine"},{"metabolite_name":"N-acetyltryptophan"},{"metabolite_name":"1-Methylhistidine"},{"metabolite_name":"1-Methylhistidine.2"},{"metabolite_name":"3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;Norpandamarilactonine A;2-(2-Furanyl)-3-piperidinol;1-(3-Pyridinyl)-1,4-butanediol;D-synephrine;a-Methyldopamine;4-Hydroxynorephedrine"},{"metabolite_name":"3-Methoxytyramine;4-Methoxytyramine;Phenylephrine;p-Synephrine;Metaraminol;Ethinamate;Epinine;Norpandamarilactonine A;2-(2-Furanyl)-3-piperidinol;1-(3-Pyridinyl)-1,4-butanediol;D-synephrine;a-Methyldopamine;4-Hydroxynorephedrine.2"},{"metabolite_name":"Biotin;Flurbiprofen"},{"metabolite_name":"Taurocholic acid;Taurohyocholate;Tauroursocholic acid;Tauro-b-muricholic acid;Taurallocholic acid"},{"metabolite_name":"beta-Alanine;Sarcosine;D-Alanine;(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein);Ethyl carbamate"},{"metabolite_name":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;3-Acetamidobutanal;N4-Acetylaminobutanal;(2E)-Decenoyl-ACP;1-Piperidine carboxylic acid;D-pipecolate"},{"metabolite_name":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;D-pipecolate;1-Piperidine carboxylic acid;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal;3-Acetamidobutanal"},{"metabolite_name":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;2-Pyrrolidineacetic acid;1-Piperidine carboxylic acid;D-pipecolate;3-Acetamidobutanal;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal"},{"metabolite_name":"Pipecolic acid;D-Pipecolic acid;N-Methyl proline;Vigabatrin;2-Pyrrolidineacetic acid;L-trans-4-Methyl-2-pyrrolidinecarboxylic acid;1-Piperidine carboxylic acid;D-pipecolate;3-Acetamidobutanal;(2E)-Decenoyl-ACP;N4-Acetylaminobutanal"},{"metabolite_name":"Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine"},{"metabolite_name":"Dihydrouracil;N-Methylhydantoin;L-3-Cyanoalanine.2"},{"metabolite_name":"Cysteinylglycine;Glycyl-Cysteine"},{"metabolite_name":"Dihydrothymine;Squamolone;L-Cyclo(alanylglycyl);Pyroglutamine"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.2"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.3"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.4"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.5"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.6"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.7"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.8"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.9"},{"metabolite_name":"Deoxyguanosine;Neuraminic acid;Vidarabine;Zidovudine;N-(1-Deoxy-1-fructosyl)serine.10"},{"metabolite_name":"Deoxyguanosine;Vidarabine;Zidovudine"},{"metabolite_name":"Deoxyguanosine;Vidarabine;Zidovudine.2"},{"metabolite_name":"Deoxyguanosine;Vidarabine;Zidovudine.3"},{"metabolite_name":"Deoxyguanosine;Vidarabine;Zidovudine.4"},{"metabolite_name":"Deoxyguanosine;Vidarabine;Zidovudine.5"},{"metabolite_name":"Deoxyguanosine;Vidarabine;Zidovudine.6"},{"metabolite_name":"gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine"},{"metabolite_name":"gamma-Aminobutyric acid;L-alpha-Aminobutyric acid;Dimethylglycine;3-Aminoisobutanoic acid;2-Aminoisobutyric acid;D-alpha-Aminobutyric acid;3-Aminobutyrate;(S)-b-aminoisobutyric acid;(R)-b-aminoisobutyric acid;N-Methylalanine;Butyl nitrite;O-Acetylethanolamine;3-Aminobutanoic acid;N-Ethylglycine.2"},{"metabolite_name":"Glycerylphosphorylethanolamine;sn-glycero-3-Phosphoethanolamine"},{"metabolite_name":"Glycolic acid;Peracetic acid"},{"metabolite_name":"Homovanillic acid;Hydroxyphenyllactic acid;3,4-Dihydroxyhydrocinnamic acid;3-(3-Hydroxyphenyl)-3-hydroxypropanoic acid;Isohomovanillic acid;Meta-hydroxyphenylhydracrylic Acid;2,6-Dimethoxybenzoic acid;5-ethenyl-3-methoxybenzene-1,2,4-triol;3,4-Dimethoxybenzoic acid;Methyl vanillate;3-Methoxy-4-hydroxyphenylglycolaldehyde;3-(2,5-dihydroxyphenyl)propanoic acid;2'',6''-Dihydroxy-4''-methoxyacetophenone;2-hydroxy-2-(3-methoxyphenyl)acetic acid;Maltol propionate;2-(2,4-dihydroxyphenyl)propanoic acid;2-(3,4-dihydroxyphenyl)propanoic acid;4-ethenyl-6-methoxybenzene-1,2,3-triol;3-(2,4-dihydroxyphenyl)propanoic acid;3-(2,3-dihydroxyphenyl)propanoic acid;3,5-dimethoxybenzoic acid;2-hydroxy-3-(3-hydroxyphenyl)propanoic acid;3-(3,5-dihydroxyphenyl)propanoic acid;2'',4''-Dihydroxy-6''-methoxyacetophenone;3-hydroxy-3-(4-hydroxyphenyl)propanoic acid;(±)-2-Hydroxy-3-(2-hydroxyphenyl)propanoic acid;2-(3-hydroxy-5-methoxyphenyl)acetic acid;2-hydroxy-2-(4-methoxyphenyl)acetic acid;3-Hydroxyphenyllactate"},{"metabolite_name":"L-Malic acid;D-Malic acid;Velcorin"},{"metabolite_name":"Maleic acid"},{"metabolite_name":"Maleic acid.2"},{"metabolite_name":"Isocitric acid;Diketogulonic acid;2,3-diketogulonate;(1R,2R)-Isocitric acid;D-threo-Isocitric acid;2,3-Diketo-L-gulonate;D-Glucaro-1,4-lactone"},{"metabolite_name":"Anserine;Homocarnosine;Balenine"},{"metabolite_name":"Anserine;Homocarnosine;Balenine.1"},{"metabolite_name":"Anserine;Homocarnosine;Balenine.2"},{"metabolite_name":"Indoleacetic acid;5-Hydroxyindoleacetaldehyde;1-Methoxy-1H-indole-3-carboxaldehyde;Hydroxymethyl indol-3-yl ketone"},{"metabolite_name":"Methylmalonic acid;Threonolactone;xi-3-Hydroxy-2-oxobutanoic acid;4-Hydroxy-2-oxobutanoic acid;Erythrono-1,4-lactone;3-methoxy-3-oxopropanoic acid"},{"metabolite_name":"Methylmalonic acid;3-methoxy-3-oxopropanoic acid;4-Hydroxy-2-oxobutanoic acid;xi-3-Hydroxy-2-oxobutanoic acid;Erythrono-1,4-lactone;Threonolactone"},{"metabolite_name":"N-Acetylneuraminic acid;N-Acetyl-a-neuraminic acid"},{"metabolite_name":"Propionic acid;Methyl acetate;Hydroxyacetone;Lactaldehyde;3-Hydroxypropanal;D-Lactaldehyde;Ethyl formate"},{"metabolite_name":"Sorbitol;Mannitol;Galactitol;L-Iditol"},{"metabolite_name":"Pyrophosphate"},{"metabolite_name":"Serotonin;Cotinine"},{"metabolite_name":"Serotonin;Cotinine.2"},{"metabolite_name":"Tyramine;2-Hydroxyphenethylamine;m-Tyramine;2-Acetyl-1-ethylpyrrole;(±)-2-(2-Furanyl)pyrrolidine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;Tyraminium;Dimethylaniline-N-oxide;Phenylethanolaminium;4-Hydroxy-2,6-dimethylaniline"},{"metabolite_name":"Tyramine;2-Hydroxyphenethylamine;m-Tyramine;1,2,3,4,5,6-Hexahydro-7H-cyclopenta[b]pyridin-7-one;(±)-2-(2-Furanyl)pyrrolidine;2-Acetyl-1-ethylpyrrole;4-Hydroxy-2,6-dimethylaniline;Phenylethanolaminium;Dimethylaniline-N-oxide;Tyraminium"},{"metabolite_name":"3-Amino-2-piperidone;N-Mononitrosopiperazine"},{"metabolite_name":"3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;2-Methyl-3-hydroxypropanoate;3-hydroxy-2-isobutyrate"},{"metabolite_name":"3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate"},{"metabolite_name":"3-Hydroxybutyric acid;2-Hydroxybutyric acid;(R)-3-Hydroxybutyric acid;4-Hydroxybutyric acid;(S)-3-Hydroxyisobutyric acid;Alpha-Hydroxyisobutyric acid;(R)-3-Hydroxyisobutyric acid;(S)-3-Hydroxybutyric acid;Ethoxyacetic acid;3-hydroxy-2-methylpropanoic acid;3-hydroxy-2-isobutyrate;2-Methyl-3-hydroxypropanoate.2"},{"metabolite_name":"2-Methylcitric acid;(R)-lipoic acid;(S)-lipoic acid;Homocitric acid;3-(Carboxymethyl)-3-hydroxypentanedioic acid;Methylisocitric acid"},{"metabolite_name":"Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid"},{"metabolite_name":"Adipic acid;Methylglutaric acid;2-Methylglutaric acid;Dimethyl succinate;4-Ethoxy-4-oxobutanoic acid;Solerol;Monomethyl glutaric acid;2,2-Dimethylsuccinic acid;(S)-2-Aceto-2-hydroxybutanoic acid.2"},{"metabolite_name":"3-Methylglutaconic acid;trans-2-Hexenedioic acid;Ethyl hydrogen fumarate;Maleic acid homopolymer;Dimethyl fumarate;(E)-2-Methylglutaconic acid;3-Hexenedioic acid;3-Hydroxyadipic acid 3,6-lactone"},{"metabolite_name":"Adenylsuccinic acid;N(6)-(1,2-dicarboxyethyl)AMP"},{"metabolite_name":"8-Hydroxyadenine;2-Hydroxyadenine"},{"metabolite_name":"8-Hydroxyadenine;2-Hydroxyadenine.2"},{"metabolite_name":"L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside"},{"metabolite_name":"L-Alloisoleucine;L-Norleucine;Beta-Leucine;Aminocaproic acid;1-Nitrohexane;(±)-erythro-Isoleucine;N-methylvaline;6-Deoxyfagomine;3-Aminocaproic acid;D-Leucine;N-(2-Hydroxyethyl)-morpholine;3,3,5-triiodo-L-thyronine-beta-D-glucuronoside.2"},{"metabolite_name":"2-Furoic acid;3-Furoic acid;3-Hydroxy-2H-pyran-2-one;2,3-Dihydroxy-2,4-cyclopentadien-1-one"},{"metabolite_name":"Citraconic acid;Glutaconic acid;Methyl hydrogen fumarate;Itaconic acid;2-Pentendioate;2,5-Dioxopentanoate;Mesaconic acid;2-Hydroxyglutaric acid lactone;Gamma-delta-Dioxovaleric acid"},{"metabolite_name":"Decanoylcarnitine;O-decanoyl-L-carnitine"},{"metabolite_name":"Cysteineglutathione disulfide"},{"metabolite_name":"Glucaric acid;Galactaric acid;D-Glucaric acid"},{"metabolite_name":"Homo-L-arginine;L-Targinine"},{"metabolite_name":"Homo-L-arginine;L-Targinine.2"},{"metabolite_name":"Isovalerylglycine;2-Methylbutyrylglycine;3-Dehydrocarnitine;N-Acetylvaline;Valerylglycine;5-Acetamidovalerate;Betonicine;Calystegin A3;Calystegine A7;Calystegine A6;Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate;Turicine;Medicanine;4-Hydroxystachydrine"},{"metabolite_name":"Glycylproline;Prolylglycine"},{"metabolite_name":"Hydroxykynurenine;L-3-Hydroxykynurenine;Stavudine;5-Hydroxykynurenine;L-Nicotianine"},{"metabolite_name":"Indoleacrylic acid;N-(2,5-Dihydroxyphenyl)pyridinium(1+)"},{"metabolite_name":"Azelaic acid;Nonate;2,4-Dimethylpimelic acid;(+/-)-Ethyl 3-acetoxy-2-methylbutyrate;cis- and trans-Ethyl 2,4-dimethyl-1,3-dioxolane-2-acetate;3-Methylsuberic acid;(+/-)-Methyl 5-acetoxyhexanoate;Diethyl glutarate;Diethyl methylsuccinate;Butyl ethyl malonate"},{"metabolite_name":"Orotidine"},{"metabolite_name":"L-Octanoylcarnitine"},{"metabolite_name":"L-Octanoylcarnitine.2"},{"metabolite_name":"Monoiodothyronine"},{"metabolite_name":"N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine"},{"metabolite_name":"N-Butyrylglycine;Isobutyrylglycine;N-Propionylalanine;Allysine;Methyl aminolevulinate;L-cis-4-(Hydroxymethyl)-2-pyrrolidinecarboxylic acid;L-trans-5-Hydroxy-2-piperidinecarboxylic acid;(S)-5-Amino-3-oxohexanoate;2-Keto-6-aminocaproate;(S)-2-amino-6-oxohexanoate;N-(2-Carboxymethyl)-morpholine.2"},{"metabolite_name":"Phosphoglycolic acid"},{"metabolite_name":"N-Glycolylneuraminic acid;NeuNGc"},{"metabolite_name":"Histamine;Betazole;Histamium"},{"metabolite_name":"Histamine;Betazole;Histamium.2"},{"metabolite_name":"1-Methylhistamine;3-Methylhistamine;N(tele)-methylhistaminium;N-Methylhistamine"},{"metabolite_name":"Succinyladenosine"},{"metabolite_name":"Trimethylamine N-oxide;1-Amino-propan-2-ol;2-(methylamino)ethan-1-ol;3-aminopropan-1-ol"},{"metabolite_name":"Threonic acid;Erythronic acid;L-threonic Acid"},{"metabolite_name":"Threonic acid;Erythronic acid;L-threonic Acid.2"},{"metabolite_name":"trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-)"},{"metabolite_name":"trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).2"},{"metabolite_name":"trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).3"},{"metabolite_name":"trans-Aconitic acid;Dehydroascorbic acid;Dehydroascorbide(1-).4"},{"metabolite_name":"DL-2-Aminooctanoic acid;Pregabalin;Methacholine;Propionylcholine"},{"metabolite_name":"gamma-Glutamylcysteine;Glutamylcysteine;Cysteinyl-Glutamate"},{"metabolite_name":"D-1-Piperideine-2-carboxylic acid;(±)-4-Methylene-2-pyrrolidinecarboxylic acid;1-piperideine-2-carboxylate;(S)-2,3,4,5-Tetrahydropiperidine-2-carboxylate;(S)-2,3,4,5-tetrahydropyridine-2-carboxylate;1-piperideine-6-carboxylate"},{"metabolite_name":"2-Aminobenzoic acid;Trigonelline;p-Aminobenzoic acid;3-Pyridylacetic acid;Salicylamide;m-Aminobenzoic acid;Methyl nicotinate;2-Pyridylacetic acid"},{"metabolite_name":"Inositol cyclic phosphate"},{"metabolite_name":"Inositol cyclic phosphate.2"},{"metabolite_name":"5-Aminolevulinic acid;N-Acetyl-beta-alanine;Propionylglycine;5-Amino-2-oxopentanoic acid;cis-4-Hydroxy-D-proline;4-Hydroxy-2-pyrrolidinecarboxylic acid;Trans-3-hydroxy-L-proline;L-Glutamic gamma-semialdehyde;cis-4-Hydroxyproline;3-Hydroxy-L-proline"},{"metabolite_name":"Adenosine diphosphate ribose;Phosphoribosyl-AMP"},{"metabolite_name":"Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene"},{"metabolite_name":"Indoleacetaldehyde;N-Hydroxy-1-aminonaphthalene.2"},{"metabolite_name":"N-Acetylarylamine;2''-Aminoacetophenone;4-Acetyl-2-methylpyridine;2-Acetyl-4-methylpyridine;2-Acetyl-5-methylpyridine;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;2-Aminoacetophenone;2-Acetyl-6-methylpyridine;4-Acetyl-3-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Phenylacetamide"},{"metabolite_name":"N-Acetylarylamine;2-Acetyl-4-methylpyridine;4-Acetyl-2-methylpyridine;2''-Aminoacetophenone;4-Acetyl-3-methylpyridine;5-(2-Furanyl)-3,4-dihydro-2H-pyrrole;2-Acetyl-6-methylpyridine;2-Acetyl-5-methylpyridine;2,3-Dihydro-1H-pyrrolizine-5-carboxaldehyde;2-Aminoacetophenone;2-Phenylacetamide"},{"metabolite_name":"Fucose 1-phosphate"},{"metabolite_name":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;N-Acryloylglycine;5-Oxoprolinate;1-Pyrroline-4-hydroxy-2-carboxylate;dimethadione;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid"},{"metabolite_name":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione"},{"metabolite_name":"Pyrroline hydroxycarboxylic acid;Pyrrolidonecarboxylic acid;5-Oxoprolinate;N-Acryloylglycine;1-Pyrroline-4-hydroxy-2-carboxylate;(3R,5S)-1-pyrroline-3-hydroxy-5-carboxylic Acid;dimethadione.2"},{"metabolite_name":"Diaminopimelic acid;Alanyl-Threonine;Threoninyl-Alanine;N-(gamma-Glutamyl)ethanolamine;2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid"},{"metabolite_name":"Hydroxycotinine;Cotinine N-oxide;5''-Hydroxycotinine;Oxoamide;N''-Hydroxymethylnorcotinine"},{"metabolite_name":"Pantetheine 4''-phosphate"},{"metabolite_name":"3-Hydroxy-N6,N6,N6-trimethyl-L-lysine"},{"metabolite_name":"Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate"},{"metabolite_name":"Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.2"},{"metabolite_name":"Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.3"},{"metabolite_name":"Phosphate;Phosphoric acid;Dihydrogen phosphate;Hydrogen phosphate.4"},{"metabolite_name":"Xanthylic acid;5''-xanthylate(2-)"},{"metabolite_name":"m-Coumaric acid;4-Hydroxycinnamic acid;Phenylpyruvic acid;Coumaric acid;cis-p-Coumaric acid;3-(3-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)prop-2-enoic acid;3-(2-hydroxyphenyl)oxirane-2-carbaldehyde;3-phenyloxirane-2-carboxylic acid;(2E)-3-(3,4-dihydroxyphenyl)prop-2-enal;2-Hydroxycinnamic acid;3-(2,5-dihydroxyphenyl)prop-2-enal;3-(2,3-dihydroxyphenyl)prop-2-enal;4-methoxy-1-benzofuran-6-ol;3-(4-hydroxyphenyl)prop-2-enoic acid;3-(4-hydroxyphenyl)oxirane-2-carbaldehyde;Enol-phenylpyruvate;Methyl Phenylglyoxalate;Trans-3-coumarate;Cis-2-coumarate"},{"metabolite_name":"DL-O-Phosphoserine"},{"metabolite_name":"DL-O-Phosphoserine.2"},{"metabolite_name":"Phenylpropanolamine;N-Methyltyramine;1,2,3,4,5,6-Hexahydro-6-methyl-7H-cyclopenta[b]pyridin-7-one;2-(2-Furanyl)piperidine;N-Methylphenylethanolamine;1,2,3,4,5,6-Hexahydro-5-methyl-7H-cyclopenta[b]pyridin-7-one;2-Acetyl-3-ethylidene-3,4,5,6-tetrahydropyridine;2-(1-Pyrrolidinyl)-2-cyclopenten-1-one;2-(5-Methyl-2-furanyl)pyrrolidine;1-Furfurylpyrrolidine;2,3,4,5,6,7-Hexahydrocyclopent[b]azepin-8(1H)-one;4-Hydroxyamphetamine;N-methylphenylethanolaminium"},{"metabolite_name":"Chlorate"},{"metabolite_name":"N(6)-Methyllysine;Putreanine;Bethanechol;Isoputreanine"},{"metabolite_name":"N(6)-Methyllysine;Bethanechol;Putreanine;Isoputreanine"},{"metabolite_name":"Malonylcarnitine;O-malonyl-L-carnitine;Linamarin"},{"metabolite_name":"S-(2-carboxypropyl)-Cysteamine;S-Propyl-L-cysteine;L-2-Amino-5-(methylthio)pentanoic acid;S-Methylmethionine"},{"metabolite_name":"3-Hydroxycapric acid;2-Hydroxydecanoate;2-Hexyl-1,3-dioxolane-4-methanol;Ethyl (±)-3-hydroxyoctanoate;xi-5-Hydroxydecanoic acid;(1R,2R,4S)-p-Menthane-1,2,8-triol;7-Methyl-3-methylene-1,6,7-octanetriol;2,6-Dimethyl-7-octene-2,3,6-triol;(1R,2R,4R,8R)-p-Menthane-2,8,9-triol;cis-p-Menthane-1,7,8-triol;(1S,2S,4R,8R)-p-Menthane-1,2,9-triol;9-Hydroxydecanoic acid;2-Hexyl-1,3-dioxan-5-ol;(R)-3-Hydroxydecanoic acid"},{"metabolite_name":"Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-Hydroxymethyl-4-methyluracil;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide"},{"metabolite_name":"Imidazolelactic acid;4-Imidazolone-5-propionic acid;5-(2-carboxylatoethyl)-4-oxo-4,5-dihydro-1H-imidazol-5-ide;5-Hydroxymethyl-4-methyluracil"},{"metabolite_name":"Tiglylcarnitine"},{"metabolite_name":"A-Ketoglutaric acid oxime;N-Formyl-L-aspartate"},{"metabolite_name":"A-Ketoglutaric acid oxime;N-Formyl-L-aspartate.2"},{"metabolite_name":"Methylimidazoleacetic acid;Imidazolepropionic acid;Pi-Methylimidazoleacetic acid;1,3-Dimethyluracil"},{"metabolite_name":"N-Methylnicotinamide;Pralidoxime;2-Aminobenzamide;2-Methylnicotinamide;2-Acetyl-3-methylpyrazine;4-Acetyl-2-methylpyrimidine;1,2-Diacylglycerol-Bile-PC-pool;1,2-Diacylglycerol-LD-PC-pool"},{"metabolite_name":"D-Glutamic acid;N-Acetylserine;N-Methyl-D-aspartic acid;O-Acetylserine;3-(Carboxymethylamino)propanoic acid;N-lactoyl-Glycine;DL-Glutamate;L-4-Hydroxyglutamate semialdehyde"},{"metabolite_name":"5-Aminopentanoic acid;Norvaline;Vaporole;Amyl Nitrite;N-Methyl-a-aminoisobutyric acid;Trimethylammonioacetate"},{"metabolite_name":"Quinone;1,2-Benzoquinone"},{"metabolite_name":"D-Ornithine"},{"metabolite_name":"D-Proline;4-Amino-2-methylenebutanoic acid;Pterolactam;Acetamidopropanal"},{"metabolite_name":"D-Proline;Pterolactam;4-Amino-2-methylenebutanoic acid;Acetamidopropanal"},{"metabolite_name":"D-Proline;Pterolactam;4-Amino-2-methylenebutanoic acid;Acetamidopropanal.2"},{"metabolite_name":"D-Arginine;L-argininium(1+)"},{"metabolite_name":"D-Arginine;L-argininium(1+).2"},{"metabolite_name":"D-Arginine;L-argininium(1+).3"},{"metabolite_name":"Taurocyamine"},{"metabolite_name":"(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;(-)-Salsoline;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;Butyl 2-aminobenzoate;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline"},{"metabolite_name":"(R)-N-Methylsalsolinol;(S)-N-Methylsalsolinol;2-Isopropylphenyl methylcarbamate;Ethyl N-ethylanthranilate;2-Methylpropyl 2-aminobenzoate;(-)-Salsoline;Butyl 2-aminobenzoate;(R)-1,2-dimethyl-5,6-dihydroxy-tetrahydroisoquinoline"},{"metabolite_name":"Epsilon-(gamma-Glutamyl)-lysine;Glutamyllysine;Lysyl-Glutamate;gamma-Glutamyllysine"},{"metabolite_name":"2-Hydroxyethanesulfonate;Ethyl hydrogen sulfate"},{"metabolite_name":"N6-Methyladenosine;2''-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3''-O-Methyladenosine"},{"metabolite_name":"N6-Methyladenosine;2''-O-Methyladenosine;N-(1-Deoxy-1-fructosyl)threonine;3''-O-Methyladenosine.2"},{"metabolite_name":"N1-Methyl-2-pyridone-5-carboxamide;N1-Methyl-4-pyridone-3-carboxamide"},{"metabolite_name":"Imidazolone"},{"metabolite_name":"Diethanolamine"},{"metabolite_name":"Diethanolamine.2"},{"metabolite_name":"N2,N2-Dimethylguanosine;1,7-Dimethylguanosine"},{"metabolite_name":"Proline betaine;L-2-Amino-3-methylenehexanoic acid;3beta,6beta-Dihydroxynortropane"},{"metabolite_name":"Proline betaine;3beta,6beta-Dihydroxynortropane;L-2-Amino-3-methylenehexanoic acid"},{"metabolite_name":"Sertraline"},{"metabolite_name":"Ophthalmic acid"},{"metabolite_name":"Hydroxytyrosol;3,5-Dimethoxyphenol;5-ethylbenzene-1,2,3-triol;2,3-dimethoxyphenol;5-methoxy-2-methylbenzene-1,3-diol;Propyl 2-furoate;2,6-Dimethoxyphenol;4-Hydroxy-3-methoxybenzenemethanol;Sylvopinol;1-(4-hydroxyphenyl)ethane-1,2-diol;5-methoxy-4-methylbenzene-1,3-diol;2-Furanylmethyl propanoate;2,4-dimethylbenzene-1,3,5-triol"},{"metabolite_name":"Formononetin;Homolanthionine;3-(3-hydroxyphenyl)-7-methoxy-4H-chromen-4-one;Trigraecum;5-hydroxy-7-methoxy-3-phenyl-4H-chromen-4-one;5-hydroxy-6-methoxy-2-phenyl-4H-chromen-4-one;1,3-Dimethoxyanthraquinone;6-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-one;7-hydroxy-3-(3-methoxyphenyl)-4H-chromen-4-one;7-hydroxy-5-methoxy-2-phenyl-4H-chromen-4-one;8-Hydroxy-1-methoxy-3-methylanthraquinone;Isoformononetin;7-hydroxy-5-methoxy-3-phenyl-4H-chromen-4-one;7-hydroxy-6-methoxy-3-phenyl-4H-chromen-4-one"},{"metabolite_name":"Malondialdehyde;Pyruvaldehyde;Acrylic acid"},{"metabolite_name":"Malondialdehyde;Pyruvaldehyde;Acrylic acid.2"},{"metabolite_name":"4-Hydroxydebrisoquine;N''-nitrosoanabasine"},{"metabolite_name":"Nervonyl carnitine;Triethylamine;Hexylamine"},{"metabolite_name":"gamma-Glutamylisoleucine;gamma-Glutamylleucine;Isoleucyl-Glutamate;Leucyl-Glutamate;Glutamylleucine;Glutamylisoleucine"},{"metabolite_name":"Leucylproline;Isoleucylproline"},{"metabolite_name":"Leucylproline;Isoleucylproline.2"},{"metabolite_name":"Leucylproline;Isoleucylproline.3"},{"metabolite_name":"Leucylproline;Isoleucylproline.4"},{"metabolite_name":"Leucylproline;Isoleucylproline.5"},{"metabolite_name":"Leucylproline;Isoleucylproline.6"},{"metabolite_name":"3-Oxoalanine;Pyruvatoxime"},{"metabolite_name":"p-Cresol sulfate;Benzyl sulfate"},{"metabolite_name":"1-(sn-Glycero-3-phospho)-1D-myo-inositol"},{"metabolite_name":"Glycyl-glycine;Ureidopropionic acid;N-Carbamoylsarcosine;N-carbamoyl-beta-alaninate;D-Asparagine"},{"metabolite_name":"Dihydroxyacetone Phosphate Acyl Ester"},{"metabolite_name":"2-O-(6-Phospho-alpha-mannosyl)-D-glycerate;3,5,7-trihydroxy-6-methoxy-2-(2,4,5-trihydroxyphenyl)-4H-chromen-4-one;3,5,7-trihydroxy-6-methoxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one;3,5,7-trihydroxy-6-methoxy-2-(2,3,4-trihydroxyphenyl)-4H-chromen-4-one;2-(2,5-dihydroxy-4-methoxyphenyl)-3,5,6,7-tetrahydroxy-4H-chromen-4-one;Inosine 2''-phosphate"},{"metabolite_name":"Histidinal"},{"metabolite_name":"N-Succinyl-L,L-2,6-diaminopimelate"},{"metabolite_name":"Butenylcarnitine"},{"metabolite_name":"Butenylcarnitine.2"},{"metabolite_name":"Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine"},{"metabolite_name":"Hydroxybutyrylcarnitine;(R)-3-hydroxybutyrylcarnitine.2"},{"metabolite_name":"Hydroxyhexanoycarnitine"},{"metabolite_name":"Hydroxyhexanoycarnitine.2"},{"metabolite_name":"9-Decenoylcarnitine"},{"metabolite_name":"Beta-Citryl-L-glutamic acid"},{"metabolite_name":"Beta-Guanidinopropionic acid"},{"metabolite_name":"Beta-Guanidinopropionic acid.2"},{"metabolite_name":"Beta-Guanidinopropionic acid.3"},{"metabolite_name":"Beta-Guanidinopropionic acid.4"},{"metabolite_name":"Beta-Guanidinopropionic acid.5"},{"metabolite_name":"Beta-Guanidinopropionic acid.6"},{"metabolite_name":"Beta-Guanidinopropionic acid.7"},{"metabolite_name":"Beta-Guanidinopropionic acid.8"},{"metabolite_name":"Beta-Guanidinopropionic acid.9"},{"metabolite_name":"Beta-Guanidinopropionic acid.10"},{"metabolite_name":"Beta-Guanidinopropionic acid.11"},{"metabolite_name":"Beta-Guanidinopropionic acid.12"},{"metabolite_name":"Beta-Guanidinopropionic acid.13"},{"metabolite_name":"Beta-Guanidinopropionic acid.14"},{"metabolite_name":"Beta-Guanidinopropionic acid.15"},{"metabolite_name":"Beta-Guanidinopropionic acid.16"},{"metabolite_name":"Beta-Guanidinopropionic acid.17"},{"metabolite_name":"Beta-Guanidinopropionic acid.18"},{"metabolite_name":"Beta-Guanidinopropionic acid.19"},{"metabolite_name":"Beta-Guanidinopropionic acid.20"},{"metabolite_name":"Beta-Guanidinopropionic acid.21"},{"metabolite_name":"Beta-Guanidinopropionic acid.22"},{"metabolite_name":"Caproylcholine"},{"metabolite_name":"Heptanoylcarnitine"},{"metabolite_name":"N-Undecanoylglycine"},{"metabolite_name":"Ne,Ne dimethyllysine"},{"metabolite_name":"trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate"},{"metabolite_name":"trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.2"},{"metabolite_name":"trans-3-Octenedioic acid;cis-4-Octenedioic acid;2-Octenedioic acid;Diethyl fumarate;3-Isopropenylpentanedioic acid;Ethyl 2,4-dioxohexanoate.3"},{"metabolite_name":"D-Tryptophan;(±)-Tryptophan;Ethotoin;3-Hydroxymethylantipyrine;S-nirvanol;Nirvanol;4-Hydroxyantipyrine"},{"metabolite_name":"Urolithin B;2-Hydroxyxanthone;4-Hydroxyxanthone"},{"metabolite_name":"2-Hydroxypyridine;1H-Pyrrole-2-carboxaldehyde"},{"metabolite_name":"1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine"},{"metabolite_name":"1-Nitroheptane;2-Aminoheptanoate;3-Dehydroxycarnitine.2"},{"metabolite_name":"p-Chlorobenzene sulfonyl urea"},{"metabolite_name":"Trifluoroacetic acid"},{"metabolite_name":"Mexiletine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;Methylephedrine;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine"},{"metabolite_name":"Mexiletine;3-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methylephedrine;7-Ethyl-2,3,4,5,6,7-hexahydrocyclopent[b]azepin-8(1H)-one;3,4-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;2,3,4,5,6,7-Hexahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;5-Ethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one;Methoxyphenamine"},{"metabolite_name":"Allopurinol;1-Pentanesulfenothioic acid;Ethyl isopropyl disulfide;Ethyl propyl disulfide"},{"metabolite_name":"Allopurinol;Ethyl propyl disulfide;1-Pentanesulfenothioic acid;Ethyl isopropyl disulfide"},{"metabolite_name":"Acamprosate"},{"metabolite_name":"Methoxamine;Isoproterenol;Orciprenaline"},{"metabolite_name":"Clavulanate;(S)-alpha-Amino-4-carboxy-3-furanpropanoic acid"},{"metabolite_name":"Phenmetrazine;(S)-Valerianine;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;Mephedrone"},{"metabolite_name":"Phenmetrazine;2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one;2,3-Dihydro-6-methyl-5-propanoyl-1H-pyrrolizine;5-Acetyl-2,3-dihydro-6,7-dimethyl-1H-pyrrolizine;7-Ethyl-2,3,6,7-tetrahydrocyclopent[b]azepin-8(1H)-one;1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone;(S)-Valerianine;1-(2,3-Dihydro-5,6-dimethyl-1H-pyrrolizin-7-yl)ethanone;2,3-Dihydro-7-methyl-5-propanoyl-1H-pyrrolizine;1-(2,3-Dihydro-5-ethyl-1H-pyrrolizin-7-yl)ethanone;Mephedrone"},{"metabolite_name":"Pirbuterol"},{"metabolite_name":"Pirbuterol.2"},{"metabolite_name":"Pirbuterol.3"},{"metabolite_name":"Glycodiazine"},{"metabolite_name":"Alanyl-Alanine;D-Alanyl-D-alanine;4-Acetamido-2-aminobutanoic acid"},{"metabolite_name":"Alanyl-Glutamic acid;Glutamylalanine;gamma-Glutamylalanine;Hydroxyprolyl-Serine;N-gamma-L-Glutamyl-D-alanine;Serinyl-Hydroxyproline"},{"metabolite_name":"Alanyl-Histidine;Histidinyl-Alanine;(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin"},{"metabolite_name":"Alanyl-Proline;Prolyl-Alanine"},{"metabolite_name":"Aspartyl-Aspartate;L-beta-aspartyl-L-aspartic acid"},{"metabolite_name":"Aspartyl-Proline;Aspartyl-L-proline;(2S,3''S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid;(1R,2S,3R)-2-Acetyl-4(5)-(1,2,3,4-tetrahydroxybutyl)imidazole;1-(gamma-Glutamylamino)cyclopropanecarboxylic acid;Prolyl-Aspartate"},{"metabolite_name":"Glutaminylglycine;Glycyl-Glutamine;Asparaginyl-Alanine;Alanyl-Asparagine;Glycyl-Gamma-glutamate"},{"metabolite_name":"Glutaminylproline;Prolyl-Glutamine;Prolyl-Gamma-glutamate"},{"metabolite_name":"Glutamylglycine;Aspartyl-Alanine;Glycyl-Glutamate;gamma-Glutamylglycine;L-beta-aspartyl-L-alanine ;Alanyl-Aspartic acid"},{"metabolite_name":"Glycyl-Threonine;Alanyl-Serine;Threoninyl-Glycine;Serylalanine"},{"metabolite_name":"Histidinyl-Glycine;Glycyl-Histidine"},{"metabolite_name":"Lysyl-Valine;Valyl-Lysine"},{"metabolite_name":"Prolyl-Valine;Valyl-Proline;Dethiobiotin"},{"metabolite_name":"Prolyl-Valine;Valyl-Proline;Dethiobiotin.2"},{"metabolite_name":"Serylproline;Prolyl-Serine;L-Coprine;Alanyl-Hydroxyproline;Hydroxyprolyl-Alanine"},{"metabolite_name":"Serylvaline;Valyl-Serine;N6-Acetyl-5S-hydroxy-L-lysine;3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide"},{"metabolite_name":"Serylvaline;Valyl-Serine;3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide;N6-Acetyl-5S-hydroxy-L-lysine"},{"metabolite_name":"Threoninyl-Leucine;Isoleucyl-Threonine;Leucyl-Threonine;Threoninyl-Isoleucine;Spermic acid 2"},{"metabolite_name":"N-gamma-Glutamylglutamine;N2-gamma-Glutamylglutamine;Glutamylglutamine;Glutaminylglutamic acid;Glutamyl-Gamma-glutamate;Norophthalmic acid"},{"metabolite_name":"L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid;1-Aminocyclopropanecarboxylic acid"},{"metabolite_name":"S-Carboxymethyl-L-cysteine"},{"metabolite_name":"S-Cysteinosuccinic acid"},{"metabolite_name":"(2S,4S)-Pinnatanine;Glutamylproline;Hydroxyprolyl-Hydroxyproline;gamma-Glutamylproline;Prolyl-Glutamate"},{"metabolite_name":"Dantron;Xanthopurpurin"},{"metabolite_name":"D-glycero-L-galacto-Octulose"},{"metabolite_name":"N-Isobutyl-2,4,8-decatrienamide;N-3,7-Dimethyl-2,6-octadienylcyclopropylcarboxamide;Sarmentine"},{"metabolite_name":"(R)-Dihydromaleimide"},{"metabolite_name":"Methylisopelletierine;2-(1-Pyrrolidinyl)-3-pentanone;2,2,6,6-Tetramethyl-4-piperidinone;3-(1-Pyrrolidinyl)-2-pentanone"},{"metabolite_name":"3-O-Feruloylquinic acid;3,4,5-trihydroxy-6-{3-[(5-oxooxolan-2-yl)methyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(6-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-7-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[1-(4-methoxy-1-benzofuran-5-yl)ethoxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{[2-(hydroxymethyl)-2-methyl-2H-chromen-5-yl]oxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(5-hydroxy-2,2-dimethyl-2H-chromen-6-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(7-hydroxy-2,2-dimethyl-2H-chromen-5-yl)oxy]oxane-2-carboxylic acid;3,4,5-trihydroxy-6-[2-methoxy-4-(3-oxobut-1-en-1-yl)phenoxy]oxane-2-carboxylic acid;6-({5,5-dimethyl-3,6-dioxatricyclo[5.4.0.0²,â´]undeca-1(11),7,9-trien-11-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3-O-Caffeoyl-1-O-methylquinic acid;3-O-Caffeoyl-4-O-methylquinic acid"},{"metabolite_name":"Sarmentosin;Ethenodeoxyadenosine"},{"metabolite_name":"Maltol;1,2,3-Trihydroxybenzene;1,3,5-Trihydroxybenzene;Methyl 2-furoate;5-Methylfuran-2-carboxylic acid;benzene-1,2,4-triol;5-Hydroxymethyl-2-furancarboxaldehyde;4-Hydroxy-2H-pyran-3-carboxaldehyde;(Z)-Tamarindienal"},{"metabolite_name":"Garcinia acid"},{"metabolite_name":"6-Hydroxy-1H-indole-3-acetamide"},{"metabolite_name":"6-Hydroxy-1H-indole-3-acetamide.2"},{"metabolite_name":"1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone"},{"metabolite_name":"1,2,3-Propanetricarboxylic acid;D-Glucurono-6,3-lactone.2"},{"metabolite_name":"2,5-Dihydro-2,4,5-trimethyloxazole;2-Acetylpyrrolidine;1-Piperidinecarboxaldehyde;Epsilon-caprolactam"},{"metabolite_name":"Dipropyl disulfide;1,6-Hexanedithiol;xi-1-(Propylthio)-1-propanethiol;Methyl pentyl disulfide;Methyl isopentyl disulfide;Butyl ethyl disulfide;Diisopropyl disulfide;1-Methylhypoxanthine ;7-Methylhypoxanthine"},{"metabolite_name":"Pyrrolidine"},{"metabolite_name":"N-Nitroso-pyrrolidine;Gyromitrin"},{"metabolite_name":"N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide;Trimethylaminoacetone"},{"metabolite_name":"N-(3-Methylbutyl)acetamide;N-(2-Methylpropyl)acetamide;Trimethylaminoacetone.2"},{"metabolite_name":"L-2-Amino-5-hydroxypentanoic acid;1,4-Dideoxy-1,4-imino-D-ribitol;N-Lactoyl ethanolamine"},{"metabolite_name":"1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione"},{"metabolite_name":"(±)-2-Methylthiazolidine"},{"metabolite_name":"2-Acetylpyrazine"},{"metabolite_name":"2-Acetylpyrazine.2"},{"metabolite_name":"Sulforhodamine B"},{"metabolite_name":"1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid"},{"metabolite_name":"Koeniginequinone B;Pummeline;4-hydroxy ketorolac"},{"metabolite_name":"Triethanolamine"},{"metabolite_name":"Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide"},{"metabolite_name":"Fagomine;2-amino-6-hydroxyhexanoic acid;(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid;N-(2-Hydroxyethyl)-morpholine N-oxide.2"},{"metabolite_name":"(3R,7R)-1,3,7-Octanetriol"},{"metabolite_name":"2-Diethylaminoethanol"},{"metabolite_name":"Thiolutin"},{"metabolite_name":"L-2-Amino-3-(1-pyrazolyl)propanoic acid"},{"metabolite_name":"L-2-Amino-3-(1-pyrazolyl)propanoic acid.2"},{"metabolite_name":"L-2-Amino-3-(1-pyrazolyl)propanoic acid.3"},{"metabolite_name":"Piperidine"},{"metabolite_name":"Piperidine.2"},{"metabolite_name":"Piperidine.3"},{"metabolite_name":"Cepharadione A"},{"metabolite_name":"5-(4-Acetoxy-1-butynyl)-2,2''-bithiophene"},{"metabolite_name":"7-beta-D-Glucopyranosyloxybutylidenephthalide;3,4,5-trihydroxy-6-[4-(4-methyl-3-oxopent-1-en-1-yl)phenoxy]oxane-2-carboxylic acid"},{"metabolite_name":"Sulfentrazone"},{"metabolite_name":"(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;2-(5-Methyl-2-furanyl)-3-piperidinol;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine"},{"metabolite_name":"(R)-2-Nitro-p-mentha-1,5-diene;cis-6-Nitro-p-mentha-1(7),2-diene;2,5-Dimethyl-4-(1-pyrrolidinyl)-3(2H)-furanone;2-(5-Methyl-2-furanyl)-3-piperidinol;beta-O-Methylynephrine;5-(1-Pyrrolidinylmethyl)-2-furanmethanol;3-O-Methyl-a-methyldopamine;3,4-Dimethoxyphenylethylamine.2"},{"metabolite_name":"1-Aminocyclopropanecarboxylic acid;L-3-Aminodihydro-2(3H)-furanone;(S)-2-Azetidinecarboxylic acid"},{"metabolite_name":"Hydroxytanshinone;Moracin C;Moracin N;1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;(1E)-1,7-bis(4-hydroxyphenyl)hept-1-ene-3,5-dione;Artocarbene;(1E)-7-(3,4-dihydroxyphenyl)-1-phenylhept-1-ene-3,5-dione;4-hydroxy-3-(3-hydroxy-1-phenylbutyl)-2H-chromen-2-one;7-(3,4-dihydroxyphenyl)-1-phenylhept-1-ene-3,5-dione;5-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-2-[(1E)-3-methylbuta-1,3-dien-1-yl]benzene-1,3-diol;5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-en-1-yl)benzene-1,3-diol"},{"metabolite_name":"3,5-Di-O-galloyl-1,4-galactarolactone;6-({1-carboxy-3,4,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-8-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,4,8,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-9-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,4,8,9-tetrahydroxy-6-oxo-6H-benzo[c]chromen-10-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-4,8,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;6-({1-carboxy-3,8,9,10-tetrahydroxy-6-oxo-6H-benzo[c]chromen-4-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3,4,8,9,10-pentahydroxy-6-oxo-6H-benzo[c]chromene-1-carbonyloxy}oxane-2-carboxylic acid"},{"metabolite_name":"N-(1-Deoxy-1-fructosyl)histidine"},{"metabolite_name":"N-(1-Deoxy-1-fructosyl)leucine;N-(1-Deoxy-1-fructosyl)isoleucine"},{"metabolite_name":"N-(1-Deoxy-1-fructosyl)valine"},{"metabolite_name":"1-Isothiocyanato-7-(methylsulfinyl)heptane"},{"metabolite_name":"1-Isothiocyanato-7-(methylsulfinyl)heptane.2"},{"metabolite_name":"4-Hydroxy-1H-indole-3-acetonitrile;3-Acetyl-2,7-naphthyridine"},{"metabolite_name":"(S)-3-Methylthiohexyl hexanoate"},{"metabolite_name":"3-Mercaptohexyl butyrate;Hexyl 3-mercaptobutanoate;(S)-3-Mercaptohexyl butyrate"},{"metabolite_name":"3-Isoxazolidinone;2-Aminoacrylic acid"},{"metabolite_name":"3-Isoxazolidinone;2-Aminoacrylic acid.2"},{"metabolite_name":"a-L-threo-4-Hex-4-enopyranuronosyl-D-galacturonic acid"},{"metabolite_name":"2-Acetyl-3,5-dimethylpyrazine;2-Acetyl-3-ethylpyrazine;7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one;2-Acetyl-3,6-dimethylpyrazine;6-Methylnicotinamide"},{"metabolite_name":"Dihydro-2-methoxy-2-methyl-3(2H)-thiophenone"},{"metabolite_name":"Benzyl cinnamate;Cinnamyl benzoate;4''-Methoxychalcone;15(R)-hydroperoxy-EPE"},{"metabolite_name":"Dihydro-4,6-dimethyl-2-(1-methylpropyl)-4H-1,3,5-dithiazine;Dihydro-2,4-dimethyl-6-(2-methylpropyl)-4H-1,3,5-dithiazine;N-Methylcalystegine C1;Dihydro-2,4-dimethyl-6-(1-methylpropyl)-4H-1,3,5-dithiazine;Dihydro-4,6-dimethyl-2-(2-methylpropyl)-4H-1,3,5-dithiazine"},{"metabolite_name":"2-Acetyl-1-methylpyrrole;1-Ethyl-1H-pyrrole-2-carboxaldehyde;2-Propionylpyrrole;p-Anisidine;4-Hydroxybenzylamine"},{"metabolite_name":"7-Epi-12-hydroxyjasmonic acid glucoside;beta-D-Glucopyranosyl-11-hydroxyjasmonic acid;2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol 1-xyloside"},{"metabolite_name":"Isosyringinoside"},{"metabolite_name":"N,N''-dinitrosopiperazine"},{"metabolite_name":"ETF"},{"metabolite_name":"ETF.2"},{"metabolite_name":"ETF.3"},{"metabolite_name":"ETF.4"},{"metabolite_name":"I(-)"},{"metabolite_name":"2-(3,4-Dihydroxybenzoyloxy)-4,6-dihydroxybenzoate"},{"metabolite_name":"3-Methyl sulfolene"},{"metabolite_name":"Meta-Tyrosine;o-Tyrosine;Beta-Tyrosine;4,6,7-Trihydroxy-1,2,3,4-tetrahydroisoquinoline;L-Threo-3-Phenylserine;4-Hydroxy-4-(3-pyridyl)-butanoic acid"},{"metabolite_name":"Phenol sulphate"},{"metabolite_name":"3-Sulfinato-L-alaninate;3-Sulfinoalanine"},{"metabolite_name":"Phosphodimethylethanolamine"},{"metabolite_name":"L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid"},{"metabolite_name":"L-Xylonate;Arabinonic acid;Ribonic acid;L-Lyxonate;2,3,4,5-Tetrahydroxypentanoic acid.2"},{"metabolite_name":"N-Acetylputrescinium"},{"metabolite_name":"N-Acetylputrescinium.2"},{"metabolite_name":"2-Amino-3-oxoadipate;D-N-(Carboxyacetyl)alanine;N-Formyl-L-glutamic acid"},{"metabolite_name":"3-Chloro-2-methylmaleylacetate;2-Chloro-5-methylmaleylacetate"},{"metabolite_name":"cis-Acetylacrylate;Norfuraneol"},{"metabolite_name":"Olopatadine n-oxide"},{"metabolite_name":"N-Desmethyl tapentadol"},{"metabolite_name":"4-Carboxypyrazole"},{"metabolite_name":"5-Carboxy-2''-deoxyuridine"},{"metabolite_name":"N,O-Didesmethyltramadol;N,N-Didesmethyltramadol"},{"metabolite_name":"p-hydroxymexiletine;2-hydroxymexiletine"},{"metabolite_name":"p-hydroxymexiletine;2-hydroxymexiletine.2"},{"metabolite_name":"3-Hydroxyisovalerylcarnitine;hydroxyisovaleroyl carnitine"},{"metabolite_name":"3-hydroxyoctanoyl carnitine"},{"metabolite_name":"3-hydroxydecanoyl carnitine"},{"metabolite_name":"3-hydroxydecanoyl carnitine.2"},{"metabolite_name":"3-hydroxydodecanoyl carnitine;2-Hydroxylauroylcarnitine"},{"metabolite_name":"6-Oxopiperidine-2-carboxylic acid;Trimethadione;Vinylacetylglycine;5-ethyl-5-methyl-2,4-oxazolidinedione"},{"metabolite_name":"Methylphosphate"},{"metabolite_name":"Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Lotaustralin;Camelinin"},{"metabolite_name":"Succinylcarnitine;Methylmalonylcarnitine;O-methylmalonyl-L-carnitine;Epidermin;Camelinin;Lotaustralin"},{"metabolite_name":"N-lactoyl-Leucine"},{"metabolite_name":"N-lactoyl-Leucine.2"},{"metabolite_name":"N-lactoyl-Leucine.3"},{"metabolite_name":"N-lactoyl-Leucine.4"},{"metabolite_name":"N-lactoyl-Leucine.5"},{"metabolite_name":"N-lactoyl-Leucine.6"},{"metabolite_name":"Malonyl-Carnitin;(S)-carnitinium"},{"metabolite_name":"Malonyl-Carnitin;(S)-carnitinium.2"},{"metabolite_name":"Malonyl-Carnitin;(S)-carnitinium.3"},{"metabolite_name":"O-propanoyl-carnitine"},{"metabolite_name":"N-phosphocreatinate(2-)"},{"metabolite_name":"N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;Glutamate, gamma-methyl ester;(±)-2,2''-Iminobispropanoic acid;hydroxybutyrylglycine"},{"metabolite_name":"N-methyl-L-glutamic Acid;N-Acetylthreonine;Acetylhomoserine;hydroxybutyrylglycine;(±)-2,2''-Iminobispropanoic acid;Glutamate, gamma-methyl ester"},{"metabolite_name":"(R)-4''-phosphonatopantothenate(3-);D-4''-Phosphopantothenate"},{"metabolite_name":"Furanone A;4-Hydroxy-2-butenoic acid gamma-lactone"},{"metabolite_name":"Tetraethylene glycol"},{"metabolite_name":"(2,6-dihydroxy-4-{4-hydroxy-7-methyl-11-oxo-2,8-dioxatricyclo[7.3.1.0âµ,¹³]trideca-1(12),3,5(13),6,9-pentaen-3-yl}phenoxy)dihydroxyoxo-λâ¶-sulfanylium"},{"metabolite_name":"[9,17,19,21-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-6-yl]oxidanesulfonic acid;(3-{3,5,7-trihydroxy-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-2-yl}phenyl)oxidanesulfonic acid;[6,9,17,19-tetrahydroxy-5,13-bis(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-21-yl]oxidanesulfonic acid;{3-[6,9,17,19,21-pentahydroxy-5-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-13-yl]phenyl}oxidanesulfonic acid;[5,7-dihydroxy-2-(3-hydroxyphenyl)-4-[6,9,17,19,21-pentahydroxy-5,13-bis(3-hydroxyphenyl)-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-18-yl]-3,4-dihydro-2H-1-benzopyran-3-yl]oxidanesulfonic acid;{3-[6,9,17,19,21-pentahydroxy-13-(3-hydroxyphenyl)-18-[3,5,7-trihydroxy-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-yl]-4,12,14-trioxapentacyclo[11.7.1.0²,¹¹.0³,â¸.0¹âµ,²â°]henicosa-2(11),3(8),9,15(20),16,18-hexaen-5-yl]phenyl}oxidanesulfonic acid"},{"metabolite_name":"{5-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,â¹.0³,â·.0¹³,¹â·]nonadeca-1(12),2(9),10,13(17)-tetraen-4-yl}oxidanesulfonic acid;{5-hydroxy-11-methoxy-16,18-dioxo-6,8,19-trioxapentacyclo[10.7.0.0²,â¹.0³,â·.0¹³,¹â·]nonadeca-1(12),2(9),10,13(17)-tetraen-14-yl}oxidanesulfonic acid"},{"metabolite_name":"5-hydroxy-7-methoxy-2-phenyl-8-(3,4,5-trihydroxyoxan-2-yl)-4H-chromen-4-one;3,4,5-trihydroxy-6-{4-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;3,4,5-trihydroxy-6-{3-[(2E)-3-phenylprop-2-enoyl]phenoxy}oxane-2-carboxylic acid;5-Hydroxyflavone"},{"metabolite_name":"6-(1-carboxy-2-methoxy-2-oxoethyl)-3,4,5-trihydroxyoxane-2-carboxylic acid;3,4,5-trihydroxy-6-[(3-methoxy-3-oxopropanoyl)oxy]oxane-2-carboxylic acid"},{"metabolite_name":"(3-hydroxy-16,17-dimethoxy-9-oxo-15-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}tricyclo[12.3.1.1²,â¶]nonadeca-1(17),2,4,6(19),14(18),15-hexaen-8-yl)oxidanesulfonic acid"},{"metabolite_name":"{2-hydroxy-5-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid"},{"metabolite_name":"{3-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid;{4-[(2E)-3-phenylprop-2-enoyl]phenyl}oxidanesulfonic acid"},{"metabolite_name":"{[(2E)-1-(4-methoxyphenyl)-3-phenylprop-2-en-1-yl]oxy}sulfonic acid"},{"metabolite_name":"N-Acetyltaurine;Homocysteinesulfinic acid"},{"metabolite_name":"Tromethamine"},{"metabolite_name":"2-O-Methylascorbic acid;3-Dehydroquinate;2-Hydroxy-2-(2-oxopropyl)butanedioic acid"}]
}

}