#METABOLOMICS WORKBENCH zys1986062186_20250821_210005 DATATRACK_ID:6322 STUDY_ID:ST004189 ANALYSIS_ID:AN007234 PROJECT_ID:PR002641 VERSION 1 CREATED_ON November 5, 2025, 5:45 pm #PROJECT PR:PROJECT_TITLE Discovery and Validation of Metabolic Biomarkers for 'Liver Qi Stagnation' and PR:PROJECT_TITLE 'Liver-Gallbladder Damp-Heat' Syndromes in Cholelithiasis: An Integrated Study PR:PROJECT_TITLE Using Non-targeted and Targeted Metabolomics PR:PROJECT_SUMMARY In order to explore the metabolic differences between the two major traditional PR:PROJECT_SUMMARY Chinese medicine disorders related to gallstones, namely "Liver Qi Stagnation" PR:PROJECT_SUMMARY (LQS) and "Liver and Gallbladder Damp Heat" (LGDH), this study employed a PR:PROJECT_SUMMARY comprehensive metabolomics approach on serum and urine. Our aim was to identify PR:PROJECT_SUMMARY objective biomarkers in the serum and urine to achieve the differentiation of PR:PROJECT_SUMMARY the disorders and to elucidate the underlying biological basis. PR:INSTITUTE First Affiliated Hospital of Dalian Medical University PR:LAST_NAME Zhang PR:FIRST_NAME Yunshu PR:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province, Dalian, PR:ADDRESS Xigang District, Dalian City, Liaoning Province, 116000, China PR:EMAIL zys196062186@163.com PR:PHONE 0411-93635863 #STUDY ST:STUDY_TITLE Discovery and Validation of Metabolic Biomarkers for 'Liver Qi Stagnation' and ST:STUDY_TITLE 'Liver-Gallbladder Damp-Heat' Syndromes in Cholelithiasis: Urine untargeted ST:STUDY_SUMMARY This study employed a comprehensive untargeted metabolomics approach on urine ST:STUDY_SUMMARY samples. 567 kinds of metabolites were detected in the urine. ST:INSTITUTE First Affiliated Hospital of Dalian Medical University ST:LAST_NAME Zhang ST:FIRST_NAME yunshu ST:ADDRESS No.222 Zhongshan Road, Xigang District, Dalian City, Liaoning Province ST:EMAIL zys1986062186@163.com ST:PHONE 0411-83635863 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS SRN1 SRN1 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN1.mzML; RAW_FILE_NAME(Raw file name)=M2/SN1.mzML SUBJECT_SAMPLE_FACTORS SRN3 SRN3 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN3.mzML; RAW_FILE_NAME(Raw file name)=M2/SN3.mzML SUBJECT_SAMPLE_FACTORS SRN4 SRN4 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN4.mzML; RAW_FILE_NAME(Raw file name)=M2/SN4.mzML SUBJECT_SAMPLE_FACTORS SRN6 SRN6 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN6.mzML; RAW_FILE_NAME(Raw file name)=M2/SN6.mzML SUBJECT_SAMPLE_FACTORS SRN8 SRN8 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN8.mzML; RAW_FILE_NAME(Raw file name)=M2/SN8.mzML SUBJECT_SAMPLE_FACTORS SRN9 SRN9 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN9.mzML; RAW_FILE_NAME(Raw file name)=M2/SN9.mzML SUBJECT_SAMPLE_FACTORS SRN11 SRN11 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN11.mzML; RAW_FILE_NAME(Raw file name)=M2/SN11.mzML SUBJECT_SAMPLE_FACTORS SRN12 SRN12 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN12.mzML; RAW_FILE_NAME(Raw file name)=M2/SN12.mzML SUBJECT_SAMPLE_FACTORS SRN15 SRN15 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN15.mzML; RAW_FILE_NAME(Raw file name)=M2/SN15.mzML SUBJECT_SAMPLE_FACTORS SRN16 SRN16 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN16.mzML; RAW_FILE_NAME(Raw file name)=M2/SN16.mzML SUBJECT_SAMPLE_FACTORS SRN17 SRN17 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN17.mzML; RAW_FILE_NAME(Raw file name)=M2/SN17.mzML SUBJECT_SAMPLE_FACTORS SRN18 SRN18 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN18.mzML; RAW_FILE_NAME(Raw file name)=M2/SN18.mzML SUBJECT_SAMPLE_FACTORS SRN20 SRN20 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN20.mzML; RAW_FILE_NAME(Raw file name)=M2/SN20.mzML SUBJECT_SAMPLE_FACTORS SRN21 SRN21 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN21.mzML; RAW_FILE_NAME(Raw file name)=M2/SN21.mzML SUBJECT_SAMPLE_FACTORS SRN22 SRN22 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN22.mzML; RAW_FILE_NAME(Raw file name)=M2/SN22.mzML SUBJECT_SAMPLE_FACTORS SRN24 SRN24 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN24.mzML; RAW_FILE_NAME(Raw file name)=M2/SN24.mzML SUBJECT_SAMPLE_FACTORS SRN25 SRN25 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN25.mzML; RAW_FILE_NAME(Raw file name)=M2/SN25.mzML SUBJECT_SAMPLE_FACTORS SRN27 SRN27 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN27.mzML; RAW_FILE_NAME(Raw file name)=M2/SN27.mzML SUBJECT_SAMPLE_FACTORS SRN28 SRN28 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN28.mzML; RAW_FILE_NAME(Raw file name)=M2/SN28.mzML SUBJECT_SAMPLE_FACTORS SRN29 SRN29 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN29.mzML; RAW_FILE_NAME(Raw file name)=M2/SN29.mzML SUBJECT_SAMPLE_FACTORS SRN30 SRN30 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN30.mzML; RAW_FILE_NAME(Raw file name)=M2/SN30.mzML SUBJECT_SAMPLE_FACTORS SRN31 SRN31 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN31.mzML; RAW_FILE_NAME(Raw file name)=M2/SN31.mzML SUBJECT_SAMPLE_FACTORS SRN32 SRN32 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN32.mzML; RAW_FILE_NAME(Raw file name)=M2/SN32.mzML SUBJECT_SAMPLE_FACTORS SRN33 SRN33 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN33.mzML; RAW_FILE_NAME(Raw file name)=M2/SN33.mzML SUBJECT_SAMPLE_FACTORS SRN34 SRN34 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN34.mzML; RAW_FILE_NAME(Raw file name)=M2/SN34.mzML SUBJECT_SAMPLE_FACTORS SRN36 SRN36 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN36.mzML; RAW_FILE_NAME(Raw file name)=M2/SN36.mzML SUBJECT_SAMPLE_FACTORS SRN37 SRN37 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN37.mzML; RAW_FILE_NAME(Raw file name)=M2/SN37.mzML SUBJECT_SAMPLE_FACTORS SRN38 SRN38 Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat RAW_FILE_NAME(Raw file name)=M1/SN38.mzML; RAW_FILE_NAME(Raw file name)=M2/SN38.mzML SUBJECT_SAMPLE_FACTORS QZN1 QZN1 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN1.mzML; RAW_FILE_NAME(Raw file name)=M2/QN1.mzML SUBJECT_SAMPLE_FACTORS QZN2 QZN2 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN2.mzML; RAW_FILE_NAME(Raw file name)=M2/QN2.mzML SUBJECT_SAMPLE_FACTORS QZN3 QZN3 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN3.mzML; RAW_FILE_NAME(Raw file name)=M2/QN3.mzML SUBJECT_SAMPLE_FACTORS QZN4 QZN4 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN4.mzML; RAW_FILE_NAME(Raw file name)=M2/QN4.mzML SUBJECT_SAMPLE_FACTORS QZN5 QZN5 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN5.mzML; RAW_FILE_NAME(Raw file name)=M2/QN5.mzML SUBJECT_SAMPLE_FACTORS QZN6 QZN6 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN6.mzML; RAW_FILE_NAME(Raw file name)=M2/QN6.mzML SUBJECT_SAMPLE_FACTORS QZN8 QZN8 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN8.mzML; RAW_FILE_NAME(Raw file name)=M2/QN8.mzML SUBJECT_SAMPLE_FACTORS QZN10 QZN10 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN10.mzML; RAW_FILE_NAME(Raw file name)=M2/QN10.mzML SUBJECT_SAMPLE_FACTORS QZN11 QZN11 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN11.mzML; RAW_FILE_NAME(Raw file name)=M2/QN11.mzML SUBJECT_SAMPLE_FACTORS QZN12 QZN12 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN12.mzML; RAW_FILE_NAME(Raw file name)=M2/QN12.mzML SUBJECT_SAMPLE_FACTORS QZN13 QZN13 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN13.mzML; RAW_FILE_NAME(Raw file name)=M2/QN13.mzML SUBJECT_SAMPLE_FACTORS QZN14 QZN14 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN14.mzML; RAW_FILE_NAME(Raw file name)=M2/QN14.mzML SUBJECT_SAMPLE_FACTORS QZN15 QZN15 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN15.mzML; RAW_FILE_NAME(Raw file name)=M2/QN15.mzML SUBJECT_SAMPLE_FACTORS QZN16 QZN16 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN16.mzML; RAW_FILE_NAME(Raw file name)=M2/QN16.mzML SUBJECT_SAMPLE_FACTORS QZN17 QZN17 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN17.mzML; RAW_FILE_NAME(Raw file name)=M2/QN17.mzML SUBJECT_SAMPLE_FACTORS QZN18 QZN18 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN18.mzML; RAW_FILE_NAME(Raw file name)=M2/QN18.mzML SUBJECT_SAMPLE_FACTORS QZN19 QZN19 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN19.mzML; RAW_FILE_NAME(Raw file name)=M2/QN19.mzML SUBJECT_SAMPLE_FACTORS QZN20 QZN20 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN20.mzML; RAW_FILE_NAME(Raw file name)=M2/QN20.mzML SUBJECT_SAMPLE_FACTORS QZN21 QZN21 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN21.mzML; RAW_FILE_NAME(Raw file name)=M2/QN21.mzML SUBJECT_SAMPLE_FACTORS QZN22 QZN22 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN22.mzML; RAW_FILE_NAME(Raw file name)=M2/QN22.mzML SUBJECT_SAMPLE_FACTORS QZN23 QZN23 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN23.mzML; RAW_FILE_NAME(Raw file name)=M2/QN23.mzML SUBJECT_SAMPLE_FACTORS QZN24 QZN24 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN24.mzML; RAW_FILE_NAME(Raw file name)=M2/QN24.mzML SUBJECT_SAMPLE_FACTORS QZN25 QZN25 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN25.mzML; RAW_FILE_NAME(Raw file name)=M2/QN25.mzML SUBJECT_SAMPLE_FACTORS QZN26 QZN26 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN26.mzML; RAW_FILE_NAME(Raw file name)=M2/QN26.mzML SUBJECT_SAMPLE_FACTORS QZN27 QZN27 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN27.mzML; RAW_FILE_NAME(Raw file name)=M2/QN27.mzML SUBJECT_SAMPLE_FACTORS QZN28 QZN28 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN28.mzML; RAW_FILE_NAME(Raw file name)=M2/QN28.mzML SUBJECT_SAMPLE_FACTORS QZN29 QZN29 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN29.mzML; RAW_FILE_NAME(Raw file name)=M2/QN29.mzML SUBJECT_SAMPLE_FACTORS QZN30 QZN30 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN30.mzML; RAW_FILE_NAME(Raw file name)=M2/QN30.mzML SUBJECT_SAMPLE_FACTORS QZN31 QZN31 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN31.mzML; RAW_FILE_NAME(Raw file name)=M2/QN31.mzML SUBJECT_SAMPLE_FACTORS QZN33 QZN33 Sample source:Urine | Factor:Liver Qi Stagnation RAW_FILE_NAME(Raw file name)=M1/QN33.mzML; RAW_FILE_NAME(Raw file name)=M2/QN33.mzML SUBJECT_SAMPLE_FACTORS DZN1 DZN1 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN1.mzML; RAW_FILE_NAME(Raw file name)=M2/DN1.mzML SUBJECT_SAMPLE_FACTORS DZN2 DZN2 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN2.mzML; RAW_FILE_NAME(Raw file name)=M2/DN2.mzML SUBJECT_SAMPLE_FACTORS DZN3 DZN3 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN3.mzML; RAW_FILE_NAME(Raw file name)=M2/DN3.mzML SUBJECT_SAMPLE_FACTORS DZN4 DZN4 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN4.mzML; RAW_FILE_NAME(Raw file name)=M2/DN4.mzML SUBJECT_SAMPLE_FACTORS DZN5 DZN5 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN5.mzML; RAW_FILE_NAME(Raw file name)=M2/DN5.mzML SUBJECT_SAMPLE_FACTORS DZN6 DZN6 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN6.mzML; RAW_FILE_NAME(Raw file name)=M2/DN6.mzML SUBJECT_SAMPLE_FACTORS DZN7 DZN7 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN7.mzML; RAW_FILE_NAME(Raw file name)=M2/DN7.mzML SUBJECT_SAMPLE_FACTORS DZN8 DZN8 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN8.mzML; RAW_FILE_NAME(Raw file name)=M2/DN8.mzML SUBJECT_SAMPLE_FACTORS DZN9 DZN9 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN9.mzML; RAW_FILE_NAME(Raw file name)=M2/DN9.mzML SUBJECT_SAMPLE_FACTORS DZN10 DZN10 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN10.mzML; RAW_FILE_NAME(Raw file name)=M2/DN10.mzML SUBJECT_SAMPLE_FACTORS DZN11 DZN11 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN11.mzML; RAW_FILE_NAME(Raw file name)=M2/DN11.mzML SUBJECT_SAMPLE_FACTORS DZN12 DZN12 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN12.mzML; RAW_FILE_NAME(Raw file name)=M2/DN12.mzML SUBJECT_SAMPLE_FACTORS DZN13 DZN13 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN13.mzML; RAW_FILE_NAME(Raw file name)=M2/DN13.mzML SUBJECT_SAMPLE_FACTORS DZN15 DZN15 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN15.mzML; RAW_FILE_NAME(Raw file name)=M2/DN15.mzML SUBJECT_SAMPLE_FACTORS DZN16 DZN16 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN16.mzML; RAW_FILE_NAME(Raw file name)=M2/DN16.mzML SUBJECT_SAMPLE_FACTORS DZN17 DZN17 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN17.mzML; RAW_FILE_NAME(Raw file name)=M2/DN17.mzML SUBJECT_SAMPLE_FACTORS DZN18 DZN18 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN18.mzML; RAW_FILE_NAME(Raw file name)=M2/DN18.mzML SUBJECT_SAMPLE_FACTORS DZN19 DZN19 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN19.mzML; RAW_FILE_NAME(Raw file name)=M2/DN19.mzML SUBJECT_SAMPLE_FACTORS DZN20 DZN20 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN20.mzML; RAW_FILE_NAME(Raw file name)=M2/DN20.mzML SUBJECT_SAMPLE_FACTORS DZN21 DZN21 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN21.mzML; RAW_FILE_NAME(Raw file name)=M2/DN21.mzML SUBJECT_SAMPLE_FACTORS DZN22 DZN22 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN22.mzML; RAW_FILE_NAME(Raw file name)=M2/DN22.mzML SUBJECT_SAMPLE_FACTORS DZN23 DZN23 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN23.mzML; RAW_FILE_NAME(Raw file name)=M2/DN23.mzML SUBJECT_SAMPLE_FACTORS DZN24 DZN24 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN24.mzML; RAW_FILE_NAME(Raw file name)=M2/DN24.mzML SUBJECT_SAMPLE_FACTORS DZN25 DZN25 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN25.mzML; RAW_FILE_NAME(Raw file name)=M2/DN25.mzML SUBJECT_SAMPLE_FACTORS DZN26 DZN26 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN26.mzML; RAW_FILE_NAME(Raw file name)=M2/DN26.mzML SUBJECT_SAMPLE_FACTORS DZN27 DZN27 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN27.mzML; RAW_FILE_NAME(Raw file name)=M2/DN27.mzML SUBJECT_SAMPLE_FACTORS DZN28 DZN28 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN28.mzML; RAW_FILE_NAME(Raw file name)=M2/DN28.mzML SUBJECT_SAMPLE_FACTORS DZN29 DZN29 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN29.mzML; RAW_FILE_NAME(Raw file name)=M2/DN29.mzML SUBJECT_SAMPLE_FACTORS DZN31 DZN31 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN31.mzML; RAW_FILE_NAME(Raw file name)=M2/DN31.mzML SUBJECT_SAMPLE_FACTORS DZN32 DZN32 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN32.mzML; RAW_FILE_NAME(Raw file name)=M2/DN32.mzML SUBJECT_SAMPLE_FACTORS DZN33 DZN33 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN33.mzML; RAW_FILE_NAME(Raw file name)=M2/DN33.mzML SUBJECT_SAMPLE_FACTORS DZN34 DZN34 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN34.mzML; RAW_FILE_NAME(Raw file name)=M2/DN34.mzML SUBJECT_SAMPLE_FACTORS DZN35 DZN35 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/DN35.mzML; RAW_FILE_NAME(Raw file name)=M2/DN35.mzML SUBJECT_SAMPLE_FACTORS QC1 QC1 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/QC1.mzML; RAW_FILE_NAME(Raw file name)=M2/QC1.mzML SUBJECT_SAMPLE_FACTORS QC2 QC2 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/QC2.mzML; RAW_FILE_NAME(Raw file name)=M2/QC2.mzML SUBJECT_SAMPLE_FACTORS QC3 QC3 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/QC3.mzML; RAW_FILE_NAME(Raw file name)=M2/QC3.mzML SUBJECT_SAMPLE_FACTORS QC4 QC4 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/QC4.mzML; RAW_FILE_NAME(Raw file name)=M2/QC4.mzML SUBJECT_SAMPLE_FACTORS QC5 QC5 Sample source:Urine | Factor:Health RAW_FILE_NAME(Raw file name)=M1/QC5.mzML; RAW_FILE_NAME(Raw file name)=M2/QC5.mzML #COLLECTION CO:COLLECTION_SUMMARY In this study, a total of 91 participants were recruited, including 33 healthy CO:COLLECTION_SUMMARY controls (HC), 30 patients with 'Liver Depression and Qi Stagnation'( LQS) CO:COLLECTION_SUMMARY syndrome and gallstone disease, and 28 patients with 'Liver-Gallbladder CO:COLLECTION_SUMMARY Damp-Heat'(LGDH) syndrome. A dual-pronged strategy was employed to analyze the CO:COLLECTION_SUMMARY serum and urine samples. Firstly, a non-targeted platform based on UPLC-HRMS was CO:COLLECTION_SUMMARY used for global analysis, identifying [the number of non-targeted metabolic CO:COLLECTION_SUMMARY features in the serum] and [the number of non-targeted metabolic features in the CO:COLLECTION_SUMMARY urine] respectively. CO:SAMPLE_TYPE Urine #TREATMENT TR:TREATMENT_SUMMARY There was no treatment study in this research. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY The aliquots were thawed at 4°C for 60 minutes and then gently blown with a SP:SAMPLEPREP_SUMMARY pipetting gun to allow uniform distribution of the sample. Then, 120μL of serum SP:SAMPLEPREP_SUMMARY was transferred to a 2 mL EP tube (Aixgen USA), and 480 μL of methanol was SP:SAMPLEPREP_SUMMARY added. The samples were vortexed for 5 min then allowed to stand for 10 min at SP:SAMPLEPREP_SUMMARY room temperature and centrifuged at 13000 g at 4°C (Thermo Scientific, USA) for SP:SAMPLEPREP_SUMMARY 10 minutes. The upper extracts were transferred to a 1.5ml tube and lyophilized SP:SAMPLEPREP_SUMMARY for 3 hours in a vacuum freeze dryer (Labconco Corporation, USA) and then stored SP:SAMPLEPREP_SUMMARY at 4°C until injection. Prior to analysis, the extracts were redissolved in 500 SP:SAMPLEPREP_SUMMARY μl acetonitril-water (1:3,v/v). Quality control (QC) samples were prepared by SP:SAMPLEPREP_SUMMARY mixing equal amounts of samples. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Dionex Ultimate 3000 CH:COLUMN_NAME Waters ACQUITY UPLC BEH C18 (100 x 2.1mm,1.7um) CH:SOLVENT_A 100% water CH:SOLVENT_B 5% water/95% acetonitrile CH:FLOW_GRADIENT 2% B to 100% B in 10 min. CH:FLOW_RATE 0.4 mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Plus Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS - #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak area MS_METABOLITE_DATA_START Samples SRN1 SRN3 SRN4 SRN6 SRN8 SRN9 SRN11 SRN12 SRN15 SRN16 SRN17 SRN18 SRN20 SRN21 SRN22 SRN24 SRN25 SRN27 SRN28 SRN29 SRN30 SRN31 SRN32 SRN33 SRN34 SRN36 SRN37 SRN38 QZN1 QZN2 QZN3 QZN4 QZN5 QZN6 QZN8 QZN10 QZN11 QZN12 QZN13 QZN14 QZN15 QZN16 QZN17 QZN18 QZN19 QZN20 QZN21 QZN22 QZN23 QZN24 QZN25 QZN26 QZN27 QZN28 QZN29 QZN30 QZN31 QZN33 DZN1 DZN2 DZN3 DZN4 DZN5 DZN6 DZN7 DZN8 DZN9 DZN10 DZN11 DZN12 DZN13 DZN15 DZN16 DZN17 DZN18 DZN19 DZN20 DZN21 DZN22 DZN23 DZN24 DZN25 DZN26 DZN27 DZN28 DZN29 DZN31 DZN32 DZN33 DZN34 DZN35 QC1 QC2 QC3 QC4 Factors Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver-Gallbladder Damp-Heat Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Liver Qi Stagnation Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health Sample source:Urine | Factor:Health alpha-Aminobutyric acid 22970290 17309041 250259363 11222638 14248732 27401807 16491861 71541193 20949902 169772205 190214522 24351312 15958116 105928238 4055994 42595194 36486188 70151932 95379856 185746083 18360198 71916289 18269254 182398419 110734831 13978409 136258865 26670311 115447709 60065094 10732026 283570800 11290928 86164895 12726259 41735133 419138125 30446937 5822356 186889491 46141362 879981136 12438773 75027619 18777900 11586763 439522224 154903612 11719123 159903883 238105008 24518815 152522373 11822282 5043473 15649456 24620547 98079417 12644387 143728052 23009403 16296781 10587536 37819658 11997120 17313977 11147507 60268452 155544995 18945874 72532502 47412297 9508676 21443320 28433044 12486769 71178769 11068728 291079072 82172326 10843083 20805701 243452815 8626007 12720862 216416250 6389884 32222186 19741529 11444050 50504124 40006130 51551581 63123698 48633689 3-Hydroxybutyric acid 185086715 16730594 187914953 154409689 49200486 216372453 295410015 128440795 81461416 188315045 104626771 79983669 151632923 40159179 9179762 949221667 4150001803 22862518 1397926587 1324770346 1997242124 196258670 206958563 86165411 258175957 91224113 187895718 260695277 81274844 110549772 115357631 101177839 57460365 158043803 36993576 46203141 39941438 183380015 23444603 122424535 97232653 400898751 453372107 88316756 38781992 25888973 48877886 22035319 40719274 118259495 85669642 1058060300 95656882 83844417 18526447 177237758 176888953 132907462 46030224 138089518 169639514 67823789 99323341 104447450 18443857 201777935 65366515 67684096 78111333 138975162 16863473 63136641 167263887 83538155 105981878 136881168 46175033 64500193 115010099 50074109 30789319 121608872 85130912 85482623 95584084 199565349 12119341 48601402 57438764 179859815 17188791 135827010 207380269 241893697 226404829 Glyceric acid 3479626 1747545 5819781 1246590 9308281 7681502 9973758 19810167 4568642 4095441 4135291 6174971 2988039 1838739 516266 9483365 8316077 2411375 10511219 2997577 6600078 7984296 8828708 1011984 15818674 24514977 15099534 4003192 2442445 644092 1204886 6142744 1506243 2158050 2028177 1790554 2661254 6844149 1266386 1520253 1336249 4390973 3557933 3358178 1621023 1486096 2120751 1341896 2282504 3680664 2486168 2119291 3668428 1761149 1429543 7179214 6233494 10986043 1939403 7589972 686656 4802273 19495099 8928880 1189509 2782822 5302536 2478258 2883039 2052334 2460056 3399102 2670372 1017661 2375835 3252349 5016580 1811245 3480011 5983820 1484942 1365664 2555655 2625168 2308191 2743666 2114114 9721937 1351075 6684941 1247344 3641490 2914739 4602985 3264501 Hydroquinone 1334670 23577558 29013851 954519 7877529 48308 18839179 17943078 1656484 137188255 479937 3524846 10765064 1726197 2151099 21223741 941938 7312 8718418 13667504 96713 3400468 343535 23257 558309 296937 3342551 12191588 7362987 355392 21309427 1575475 16453003 25569695 4045361 951615 12856634 14115984 10533333 91930069 7170508 3965 1087658 27906306 17377531 3771114 19622250 8261814 409818 37522004 28335201 3894992 10629937 935554 174986 1594010 2551297 967053 9854622 25171604 126979 31266707 27684553 8003 1750999 2209 17446394 38195 44788 13064011 35209790 26109984 29010972 7499153 35580894 3971 130011 5806876 19975 14453853 42818506 2209 5173 57251387 64662743 14078931 14712866 6868972 23528303 3398914 13218376 22960545 21660352 21555386 22324751 Fumaric acid 7550931 5362712 12483142 15443687 9769470 14868135 18663460 12046403 7535141 14908464 14242105 14667697 24753182 7181604 3305356 15306611 50276823 12470487 10817250 15604150 18211940 5368337 19951748 7875473 35535364 9333866 30556802 7082020 13289195 5923057 6070623 12714337 12056228 10443399 7421092 7856719 11360210 13211529 4589077 13938675 9328462 12819801 6900161 12748871 6305680 5664491 6845392 6252355 7536704 11499295 6815837 16446176 9983077 7966536 3995282 17855941 16542503 133842774 6688500 23028481 8756213 13149267 14017013 39148948 4036830 10599907 7773387 6606257 9553325 9090769 3842973 10913072 8438165 9158649 6713431 54703683 45085839 4853285 8609621 9607361 7300310 9419523 7091238 6300980 10787340 11074972 3739641 11945520 8718034 9667389 3752974 14191648 15349810 14452500 14100014 Levulinic acid 23465826 11520089 38642159 48873736 15667886 9920711 67792144 51373090 59030554 41153962 22105740 14584783 77020495 23839678 4160660 42147544 34830244 10707649 57076044 28192718 29295333 66806447 11757300 65316764 226835173 33985177 22588248 78168854 18664706 10749106 19146627 197768721 27819038 31218151 12450432 12202817 26659301 38004091 10337898 29704681 29164121 99182874 16912657 55629098 11390107 13598236 67594248 11027372 5796923 25259574 55181185 82918549 48398882 9166649 11483638 11869394 27757970 22431746 11740728 19442019 30352857 16045248 35768507 72858932 5080416 69641605 46187366 51901937 30998432 58785546 10276780 32028124 31276522 40404845 29260931 69244308 24999709 22903466 54018188 25194810 10280842 47971569 31170506 12868642 23764373 53183384 5166827 12041441 14169110 10310723 6846931 22096166 30142426 30122071 31713621 Acetylglycine 13594289 2022489 15006779 4948491 4256865 6740079 17472126 13743490 11074525 27646483 15686733 12821226 16362480 6986883 1848514 124651512 20240807 7026139 27780642 14138217 39714826 17113906 11489707 13911132 27550750 35619810 18889702 12768172 10481281 7496441 6927154 15996754 5117894 8636696 9430819 5074302 7524422 32057180 3469714 7002007 10611858 27660921 12663367 7744471 4009258 4784872 17393569 4032595 3506605 5495189 18006900 21329297 5701485 4825763 3402433 8209039 10927230 12968166 8944284 11491883 8741334 9486166 7103569 7561924 3260038 7779022 7656756 9519405 7913221 8688985 3006863 16507329 10304345 6416173 9064110 7422078 10768142 4656332 10866897 12401898 3298323 12101601 7107797 5217557 4665470 9901142 1450715 11884742 3512594 11578117 1175834 9642470 11699806 9485517 6209926 Succinic acid 58385148 13580447 93748694 23096826 22240562 70967975 91058807 100361234 38398806 56639429 41787931 16908308 61188760 26136501 10312051 79653034 81375576 22879288 47461734 27681715 58712189 66578305 84831826 31962507 110383863 130553926 51516604 63299248 34119479 20997127 98402141 34582084 31419749 69069250 16473293 50835611 77926570 87379901 17780605 35488069 115318611 55491065 21450113 41266570 42394491 32792103 36783476 66442397 30337191 34275324 53896471 64694046 59436688 64293169 22300676 66533997 76260387 188486296 16545957 103358961 37247192 59233922 21501537 80991273 11953881 58345426 21063262 47970528 94284094 32468838 35540988 38209076 88516736 30423284 21768426 221683292 252740186 22929319 53584936 49165772 24575780 137207919 55460622 41402629 30771712 62117380 35181950 69156454 28896621 74840703 29495839 55863528 58427705 60505232 58815425 2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylbutyric acid 401843411 48659418 385999286 168906986 95061174 465790488 509833497 518887411 137006010 511363865 360723883 82446586 171048839 153919946 13861539 1017410320 1008905835 55521884 543560736 230345019 757381544 311629606 221149113 167254416 684736065 372288815 183250822 634925789 151571767 74510816 295130794 218259566 195683699 320520790 39703840 94399543 104928349 467057978 108224451 299807618 203547056 448048027 189602584 241217136 133673708 76957289 290507444 109502268 26872620 304866524 362208079 625677342 209455262 61643305 42844135 151942564 188653851 258809348 87651906 305149256 393440035 165078160 212532863 419618642 38148851 619496710 197457303 158236435 196982595 230585270 51932824 252495281 440059687 140274571 290567352 405901472 174847791 154159830 378076393 88105646 67260028 317303999 253510731 199339145 263823322 799804685 38205421 185074886 135168553 271813499 52576324 167300415 254725798 227794885 258321096 4-Deoxythreonic acid 909465262 138984616 708355768 335821300 214496107 221183057 660262319 405426787 760148779 452146457 345096439 300079503 610522951 410603613 58122707 1723651811 614608588 163776033 2264711776 1040847064 798743387 965377572 173457090 543119530 1638828935 1098580265 382106171 897735546 234239571 493820165 230175130 723578388 348942463 372231552 455287966 274077927 313304257 939027765 99152970 348635776 327692714 1380987835 370746064 592634399 182593323 121785702 559900392 120859683 76233588 317572984 599323722 626234513 463141967 68644683 220754917 311270256 410251082 170765217 166753439 521873190 500639853 246302902 457726126 772730859 159365766 511107219 586033387 490577803 186907121 763147496 141968591 1026031564 205092024 381022865 524901947 186327238 227939777 204468452 814406013 760102785 113164683 569210762 399672917 210539259 157711629 775490564 53742363 268312654 210305105 194281092 56018708 385956702 401722627 409542497 394918222 M2X-RT177MZ123 198837 116309 64782 217806 248487 102017 84026 136278 53087 73211 251320 119504 72323 236613 698810 98412 84438 43476 14749 591054 739413 251027 347004 158807 177910 50487 160722 212134 75784 71517 144901 436286 201413 109912 52442 26955 89663 281941 78967 29704 115906 191178 111197 32282 133799 145447 158575 97288 54027 153482 161967 677521 116385 52751 85377 100914 130972 329607 111031 239130 109347 55791 196304 918936 40270 187956 147627 135894 89664 119592 24642 325228 99148 160580 163594 408876 73211 73526 36956 145259 134485 283657 139602 92869 85353 84265 77573 385876 105592 112081 126893 60982 88837 73175 52042 2-Hydroxyethanesulfonate 110470808 37848052 76935207 37478745 33933967 35049273 58042529 182143688 251508101 74834218 68023854 39145071 153673010 35379652 25983452 666933611 35573495 38925250 127291600 90391158 95958287 83387204 80721744 59604116 156413348 559004466 413165678 97028643 75575260 50013258 38369700 195755335 72252068 55963869 216106496 25534897 42280186 117414024 22213431 41829274 55391068 105409377 42147941 41432406 44705933 25889024 169150027 27359124 19324404 23692438 140416788 33001417 37863716 20906541 25075959 48457933 33437588 27501091 29511528 28845918 39907666 31399192 21696390 131700140 28717540 46473805 64528496 36535076 27047104 64749559 17245348 3117510820 25513091 42937516 81626494 39989169 62531262 26418026 64364059 175758149 18720528 121054470 51403848 30076776 20182264 132726285 11994302 69539609 20893851 37487530 16238335 77752794 76649647 74888590 75549561 1,2,3-Trihydroxybenzene 74524 3932723 12426276 317943 27273360 659424 2495769 36081365 2412726 2220076 4349479 14058105 4637412 1840045 14495575 212788 3309706 26367349 74524 45250590 11564047 5246517 74524 1680878 1310761 74524 1930083 16720690 7768590 1123641 96938 74524 17931032 21748668 26132020 1120943 100700231 10542233 6567044 3718082 703957 1379770 74524 30773279 12480819 9128818 74452491 172575 74524 13635578 50497560 364970 32510526 1738369 1484283 8093013 1587785 896501 117443450 74524 7665073 22854806 14009937 155347178 2095120 2475943 128268029 21927839 5587534 3744454 9048140 111781825 15924357 29000962 152709610 222932187 22414776 52943042 102540277 61099711 26314230 460969 25732056 8575993 5399676 22969235 7380633 23085242 14491120 1208575 1415058 27258452 25938944 20583743 28386280 M2X-RT32MZ129 598218080 483826303 994432073 615309216 602258737 807781928 1307782146 1026059387 887855115 1095372179 539058771 603091139 1183999329 612624961 192921181 1122808891 803318510 603245650 1063366724 894468810 1235754876 664624861 679508292 885729808 1086850276 634010998 772914877 1159115559 1166608731 294997558 837544517 569315180 1013200759 1026375633 252104553 435972970 1033775522 895889754 531613645 1395297102 892789359 1443020724 655715153 817712076 659880772 582788962 1081537798 760621314 520560211 1128363367 1037753126 1150560117 797912740 671552235 479611768 707899543 793304408 934637597 606889383 869763191 1037086470 900281454 1043274629 1370590583 381046082 1465688215 874846604 1512343677 1359815095 892100768 469164210 1276612028 815096154 948461982 891292097 1197965913 983455368 636669327 1292196223 821137627 775219198 2145686970 1290390112 795851098 1021767659 1056448144 396983606 1102881698 917518158 751137382 399309061 940148576 928958816 927593644 925694646 3-Methyl-2-oxovaleric acid 824654 1087196 2333866 1425174 1454716 1812815 2332712 3684860 874042 1372661 1151682 1513923 2402028 1274456 1761109 2299322 1465556 1439792 1111321 1153719 2383092 3700751 3242627 1185810 4985735 1947275 1354694 1734623 1706771 1049744 1620730 5545337 1500151 2148399 1154884 1767430 1996451 1253575 1370934 4199578 1178976 1796219 1235989 1474214 1560300 1200677 1694245 1134502 953662 2099665 1464902 3823496 1887711 1067707 1459204 1445948 1237150 1423748 2019201 2458450 12934132 1346806 2710588 6192650 1909939 6426908 1506477 3033251 26380540 1385314 1430114 2571551 1403557 2461420 2414410 2849808 12785549 2042871 2850907 1803652 1447526 6955513 11508615 1348684 1602892 1981572 1603221 1351480 1272484 1097029 949605 1511774 1670613 2038862 2080110 4-Methyl-2-oxovaleric acid 11336823 5964617 39087233 6114679 20281901 43570088 145140615 59053201 7951205 21655622 7924971 15028633 21576315 8377454 2149868 94799693 97558660 4016073 47697195 11073004 228580410 38577748 18828212 8881307 32038211 6178882 19571473 21936765 16012748 8258522 19732634 20550947 13712701 30670483 2748760 12834240 14904182 35017868 5762122 25205980 8700740 48705620 38859640 48110644 10396149 3496508 11113876 10527297 10902190 29322504 17931153 86895750 21684462 9974472 3141782 24201825 35902804 39922276 14474796 41826400 22932949 19958789 43976705 24511576 3816124 12225622 13446847 19127811 31140451 6884223 4953489 19900258 31232225 9051490 12670693 13485839 12177663 11971175 36922809 4962175 11300777 7146752 12046693 24209234 40051131 32016887 3100007 13255280 10369221 50171371 3336506 21638740 23319528 23265580 26077568 Glutaric acid 35452566 18216188 91670106 26939252 93204314 36783512 83265901 263998844 45405456 49982066 37438529 63531738 63753831 23440099 20931518 86702852 74656306 71948713 54421928 43199766 68602498 36118901 40681909 32811227 99019199 58247531 178866324 48004227 43988905 20740748 31082251 98186568 166284978 51087201 33501745 28861502 68844558 74376206 53670320 47343701 46513928 83211542 24082425 40523116 31681475 27636687 49052030 29926943 19616359 48557631 44521921 146785650 52647596 20662788 21238464 35789204 155413797 84796459 24128174 41976764 77001869 39297549 461484188 150746887 20039032 68483893 46689327 55957948 52286825 39885438 21574250 103424041 50979041 49517168 32394297 81623932 91828913 21291588 54502928 48574736 24945454 144652455 63113727 31257259 43509713 103953835 19764484 58742853 68932839 51229066 20145572 51900081 54720879 55116870 51046772 Ureidopropionic acid 9824575 4630209 16458137 1767864 5307013 5253959 20375346 4810076 3264113 7241982 41205498 12301464 4190907 1709888 1110200 35000729 14430706 3017881 12595448 5276379 5702254 6794776 16798880 2187111 10468485 87150883 41265704 5816331 3221449 1915146 2363828 18343986 1626026 2681725 5634557 2230188 2149340 10098503 561769 2405041 1166789 3912805 1273319 1465137 2294516 1324862 3915567 1394951 5234911 3717110 5292076 4265159 2281717 2398380 685825 5965535 5810890 9990347 4031314 4524796 3757003 3041615 1526900 4583021 1463195 3599646 1942688 3207844 4076074 1936131 904557 5405946 1881465 3740160 1966098 1780553 1794720 1249352 2660288 3398548 1186233 4172821 1983891 963165 1526795 6956885 1956783 5567793 1309980 14963228 655491 5323859 5281290 5133756 5748332 L-Aspartic acid 17268704 13898796 38238631 14368814 9043292 5746198 13955466 10690218 19020041 18079745 13069872 18555742 22039299 7696615 8826897 31373965 11844559 17508202 25184930 18925611 17678075 12784738 13414885 15197685 22388670 47681721 39908235 19285938 15638110 13680012 11041210 27399771 13936706 9619423 36207392 3967054 15015050 14623913 4084336 16611526 9702218 21557601 6640692 13088596 9901560 8835503 15243463 10566804 8770226 12173445 15321972 7690041 10183548 5318830 6970206 9389388 13675025 7241100 8099147 9812174 8905435 8978846 4232746 43221664 9271286 18724046 17800340 13233512 12087376 20957608 6299884 23329445 10773811 15092804 17657898 15248303 9478213 6171117 12748778 35032275 9726952 19454054 12273969 8374801 8394112 14076474 9522562 10029709 10631687 16648221 6745798 13336609 13097613 13911541 13734413 Malic acid 14774057 5593010 42055085 17411862 35390642 75738304 66116234 51973033 6711593 19053920 30983326 27746724 13478980 11845187 11439052 30427959 86888895 37908510 24980431 28303831 79907419 18319469 72046121 9342927 18681713 35402177 124025276 9037193 26292272 21134299 10672450 32347257 6230809 13592319 10264677 7908575 14804627 9755164 6204243 15039387 29801213 18366187 22895532 13387144 8023825 6718112 7213782 18728607 15865204 18717700 9000513 76428286 9588370 23005913 3687485 68046912 64635305 75254127 23099156 43130645 13555267 20430003 18761919 13440815 6407762 9161835 5104050 10242727 21871675 5218925 6557959 6909499 11326032 8743166 8308559 22739055 22333198 11597064 12406337 4035155 25778789 23905494 11065159 27579868 27400217 13272964 6164915 13159434 8234359 32495267 3807341 21880097 21155799 22418959 21927053 2,3-Dihydroxy-isovalerate 87476952 35786391 324534467 99897161 149315726 25796002 84654602 99532715 259786039 943164313 180218804 129334829 654864152 44160547 16479528 148853614 41311090 309727031 169635457 218181110 147211560 107934947 28698904 75182823 135213453 98999669 88065699 514086793 510108828 61971509 91461667 71934236 165004506 190076015 209223116 27428834 362464965 295049994 50807360 450962148 58254281 225353181 38321665 267778458 294280826 80432128 575974159 154655528 24879037 332633264 446590155 66168039 223474124 23574641 22243546 44979578 60049239 52224436 94737851 197955414 164713573 152396097 65170754 2609627057 34109706 301861297 416162604 301537216 412645404 198407892 209015651 1879702399 86818195 166597980 290995872 966083624 214447531 88497055 499064439 793414157 117552194 559629503 410129074 166622147 166595333 318222603 90965441 238136133 201012634 104081476 39179501 193582307 203253840 196880416 198628080 Threonic acid 733421448 530170856 836080132 522232161 462606192 422671324 845100955 554197189 690381318 787628279 523133852 579733816 1179382237 485301226 310181965 1444921395 645244719 659321795 1109561754 959412924 643742555 800896915 554398509 732874571 1329762709 2407621913 1201451786 983694694 501589724 459977334 324828580 1032202345 597007008 448544736 970317569 313075476 608241068 622746967 189651899 685133508 640278448 1077549542 450348047 517005775 459103409 350358565 740319255 391458230 290655423 477655792 769276999 681838615 514744540 244107368 647266136 646075536 803519532 544522067 380982013 1315380120 426916371 428326654 311273301 1590614022 387952996 726776863 749795351 618847015 474551716 1025134417 285887578 762377442 362267354 676709883 1114211918 687330661 399009234 256869688 708207418 1697802348 324845084 1385146511 659647088 391320619 321329992 526316505 267864626 572218984 376559402 419833086 199904829 657598680 628255487 676762787 623402419 Oxoglutaric acid 25088507 15074211 37328884 49053432 30813172 29278074 81641109 79658020 17779881 38644588 24626522 24966607 144815487 12989877 10415883 48710762 69111161 34646126 36006622 29094278 100636115 15994616 44059776 25733025 64933262 18288650 101068249 57794994 66043535 26302278 44928954 21858444 52460742 87733206 12533362 38532226 65778118 155067085 203270446 62465007 61957587 47537562 30472996 76250035 44023678 43671178 48788644 49449826 14645042 68846789 53810693 72901606 49886532 23926848 30949827 45509768 22446736 71270382 76655587 114921212 127511466 77792926 34358580 32940340 56276317 43139932 27457947 59778078 80025833 33870066 18336567 61696735 44835672 46464915 34029370 44004250 234627805 80779850 78193412 64872109 46051936 142025568 61651285 98234961 102461324 57398451 46448595 126179389 95370512 137675083 33713323 65855583 63474381 69432209 63504629 Adipic acid 32755603 22969224 26109625 20607883 18571968 32416046 53361255 27691233 24339098 101481103 169935689 18807778 33158856 16182050 30723852 83896060 48516371 20765240 73608986 62496043 63501559 2298312201 93087214 132348433 4993802644 54285706 26337539 21345773 77301250 223540754 42132222 12058770201 21221016 27817230 8373891 26572145 23756506 12607613 18296679 33155247 22174405 191261597 16909402 15471737 12450652 15638491 35661455 31728433 37732775 30030230 25697896 2255586254 16481443 18907471 8841074 21802276 18816176 18143327 32783764 25926121 19410067 16596644 11476149 53424115 12820574 45508625 112801272 30706190 16455344 16218643 13778631 48545283 44662736 16202776 17956932 43028372 42201696 7683147 18731979 27949550 15627119 51772541 25885590 18984508 21500010 43123079 10607218 37057366 20197990 18322603 9005705 264407469 268365662 278558420 272376979 L-Glutamic acid 24949379 15050170 48656149 20817556 22547808 23340408 43407494 24379387 36237213 68367856 26496986 31742294 36906754 24326798 7522582 74702528 43018000 34140143 43683845 40382733 35738752 33666087 36640214 34710992 49983412 87184142 137850415 54287356 25991715 15470331 14778242 42796408 28448869 21522590 25008138 16418143 31944450 52625508 10161621 34048100 22339989 42852050 13567770 28205434 18787259 31773224 43092494 14795370 16401684 23534674 39993411 32739243 32628662 18380441 12014328 23982427 32971193 28785289 22297085 26124553 31770051 23549625 26689765 42820275 12244380 31956771 27924403 37857117 30956669 34011155 12669165 41238373 20111070 32381848 33949533 23599397 18864321 17608644 32523161 66957078 15732380 52510186 30805267 19210926 20749283 55318572 10474222 36199020 29558927 22869158 10835091 29232706 30763021 28905842 27909256 2-Hydroxyglutaric acid 156978175 116292629 212904555 139423253 135226185 91359534 211177622 256426882 181896977 258925001 62865541 145359943 494450845 99810986 52197871 253961468 170185103 184505581 204884150 174763163 219098858 147824164 118541065 160927199 338068909 142587932 244653636 208405617 243318797 124127689 141327117 225439361 260275272 212832875 61798475 106344596 242694636 183685612 109373229 363779750 180972686 298404853 136443019 249579904 127022684 95815581 186007435 122859227 75469689 245762268 195712493 285940257 225162945 98911264 96574346 219374655 153691639 184127128 115757126 172000765 273460153 194799395 283063178 490781732 88712112 320470409 210319198 291470780 253219283 323296101 133195135 298959027 174355827 270446128 289034868 312435966 268892643 204905475 325722495 221544537 157071384 505834200 192189030 204278285 301990474 243036762 105839815 281982019 245961952 148739283 83567186 211454785 207387233 212922210 205103047 Mevalonic acid 155767084 47178972 305487920 129994416 85737933 137944413 120429542 355479070 269405419 237168259 85804030 67289278 323343287 154063662 30024544 202825779 102372299 218116879 190760368 206777476 267054741 174694748 93664789 178230414 163399255 478497392 90706954 358857595 164171435 97130753 243176224 89516509 423307164 176491832 195936613 63670678 125457363 208659672 95425989 178577987 117460081 260781150 54977388 183064872 154319449 64314424 221433746 86917391 18189727 227412163 314151614 79644623 179127311 44570496 36315920 79177534 133004386 39734323 64395114 209718702 453002088 113926471 111280791 819508352 33030385 369000093 271440415 432014819 200614488 195183357 69715969 475385101 175787405 206155091 218240016 1056229687 131140243 63527891 339393273 528799013 71189027 656040710 222995063 71243957 85186088 343374172 46128547 211688606 124492411 67732803 30576867 152464419 160493725 159816969 157974613 Tartaric acid 808691 442480 7493122 161676 222140 1620679 1765987 5687290 1410422 2146054 322900 1287844 986152 3684540 77424 599477 1691936 3471180 425598 707274 451683 3341849 865886 1294315 957006 2407818 77697 896354 457964158 1005748 1053942 2000273 12847615 90615 24204470 243193 3944735 26566 405549 11705709 1126280 10641852 205391 97052 12910557 1161473 4279822 5638966 1439663 1101361 2676634 117195 34875013 3069406 636694 2525047 1198740 407437 322289 221190573 1701146 386063663 3213550 65360962 353215 1070750873 2728044730 16864152 27702417 435499 205883840 46100853 28996880 5553752 1819488 37221507 1319150 109541 1853644 610991 4217155 24271105 3487705 1283034 1968654 17482644 7851509 81513233 1898812 56250337 2684989 74558094 72863463 73221444 73606415 D-Ribose 145900767 120640362 181764407 101400767 143661951 88387591 140176089 228480656 234545846 239138682 123721970 184508137 284761596 114134266 199838256 252187656 57208406 313879549 192115850 217617636 207194056 115996681 83960919 111301738 464924441 202668313 253966552 220033735 153727068 129631742 108787595 219705320 135509876 147852732 284538712 69221236 155714190 195927414 53167291 149828299 132015448 276431990 79414647 139676305 140215652 84120432 224993252 117663226 45181024 94649650 203292409 123714225 136682318 54819524 49295294 119878918 195216602 52702615 82826774 120261435 119308888 140192764 158655553 632083336 70389114 171817818 288280122 186889226 122220137 157887799 63399247 166154573 76817944 140628308 184107744 252617174 146083955 76734376 159670697 306483855 109504174 281927629 189414267 119034262 75320227 155757346 76069413 505678283 86637584 83233671 40390063 157197484 157236946 161650684 154754893 M2X-RT58MZ150 4842975 146277691 18145019 1301077 18675542 100517828 3604205 24319377 2874007 6910343 3064357 55890415 3927653 1847732 6055780 4054248 3022771 3556174 4277243 45413460 4835678 1502650 905651 2669018 8838688 2061792 102168054 6435900 436888 1250063 2555712 723805 2845069 3172377 13377869 1850906 2198498 7355701 1883444 19938181 2557330 5626074 2273923 2553388 1901317 2198261 6835856 3603781 1438472 7830802 6609670 2944435 2812328 1577189 2175034 8264399 729865 10574750 2220410 36438692 5420188 2286429 2880174 13277202 745714 770789254 6159518 8480894 836612959 3397283 3197399 24516174 55139269 4582203 10450671 65446796 3804256 2630778 5692803 7419481 1834908 13731792 6481226 2598695 3092294 210092820 2786962 4083846 3738202 1014049 2636296 4016074 4705911 3858623 2659419 Xanthine 80553663 38649453 80479197 35067546 15630220 37442693 96490384 53108044 94294850 162575240 86248406 28839471 240035269 21446642 12063266 189962493 44256255 15561034 217417523 35494231 213811876 131470265 55350809 77348591 70972996 466323601 44938787 136681318 80462873 63316201 54568010 34569555 105726576 122724101 14070175 48015561 40891083 146234890 35869107 111959808 60900382 80281256 47837088 63092639 46721353 46872704 120058631 32768686 28300646 66850295 169407419 105484838 41211816 23307569 34143747 46138820 24804893 80762388 33896267 25799352 87985144 46028729 37309628 4871346390 30402493 60776214 35776221 61812661 69159625 78085474 31003549 98768973 24205749 88540368 331542624 32471985 47991732 94342342 146920400 135478207 19329089 251192266 56993180 75025881 66347348 46983915 26917760 90265237 63225942 43702271 32406242 135554357 121424340 126930640 117073111 Ribitol 42779891 37612111 70913708 45385231 44860351 39823182 55590102 41429514 58662318 58201642 52556784 39864965 145248341 29770505 18014990 62953545 45217727 51771989 62976627 53392356 69661759 75038123 57950058 44598776 64114507 85392839 73963559 89805878 83072179 25828315 33615897 92235073 84718870 46680123 61820981 30311108 40978825 74310086 29404079 183823145 32674512 62385788 74844193 40450028 73155832 32644525 93265948 36440681 15920357 50101477 77228957 166056683 46643325 19356158 753444921 40835985 36681746 30939188 37278090 88663557 49868858 38258843 36189215 114511637 29697964 178135374 66617630 165122177 51209745 72830130 37308908 157773153 46621037 65650749 98628797 52665719 36966890 26732283 44792997 95590539 40013282 162240548 106791977 69194828 43278911 89648229 366270532 47453159 53228591 25315841 23267679 54356719 64077903 65025656 90486908 Allantoin 2075790 720019 3506094 424142 1108511 92997 532135 3039449 5572727 1863602 586637 1513631 2867578 739584 271686 2094481 452848 2693508 1357921 4116850 445645 2191778 320126 653761 605949 6899844 942070 7638010 5915868 385653 3693080 1755605 1871850 1752105 1518213 251421 1862970 9471620 792374 3722886 1132224 1497922 458002 4387939 3302982 1811125 3493009 2797222 788931 3365833 3678776 111841 5359067 614206 189968 582427 1320562 72430 1761698 77505 502957 2067933 367178 8093704 2122783 5532650 1788693 2918072 472148 1233550 1367798 9967062 961012 1396668 3022408 3025084 1726103 591352 8808862 105592 5830381 7402240 3687946 7630450 1838675 5833155 1493536 26175995 741495 1829202 351309 2002410 2017259 1874532 2112326 M2X-RT30MZ157 39320307 10424795 16649253 57837677 22379981 9716871 37500322 39778748 71250727 47830909 14508090 28769617 39154524 25138500 11346278 39747090 44287398 44032926 57310844 27572321 84710164 22490342 14555000 46794533 71869790 31248759 42338454 46638756 29999561 15046144 42921432 24961753 35846936 29505732 31309270 14723837 30844756 46985328 8607313 24964245 46879850 58980498 10147075 30183598 22461223 11355178 88859847 23394970 6955890 34008744 64215978 24970862 41828632 12375758 12114908 25936683 22035641 82755592 12193783 43825369 30155789 42229631 29602187 81879500 25467132 37956698 35176494 34385120 20192010 45338934 10221649 35337388 35317300 34341115 36951750 89869906 61136818 22487463 43968394 70319445 25329326 106050622 48650205 31003275 12869671 70456521 9682134 21254140 24474178 34521747 26352864 34124540 37177994 36887358 36698945 Pelargonic acid(FFA(9:0) 77386 83764 123890 102957 62190 116550 735589 87090 134300 194837 109704 140672 419939 115803 98503 705425 135208 219475 218547 134601 94341 1366428 550609 737521 920760 1004594 177301 135636 264817 78316 381427 321640 109039 430541 263927 115448 108580 130740 134128 124105 94543 129211 35643 132719 98634 54155 226087 127006 117734 171156 222700 487677 158937 202457 411757 104580 139334 282866 90591 662194 211596 116309 628179 169271 72195 250102 108623 330236 126326 159817 87094 219632 173660 182518 128575 1604777 98427 121994 311592 241208 124613 247567 185571 83622 70591 333529 111417 249013 113407 88776 133696 365479 271431 213982 330196 Isovalerylglycine 8295988 3421394 27518865 18013507 2966514 12215145 30222104 5316245 6338878 20136048 8863324 11956341 22658178 5735093 2323094 117919256 10521309 12858781 6818333 6359206 90775412 11132644 10209220 12753255 156826377 67269190 2853125 64188253 34405513 7102164 35372722 4681773 27233771 27343377 7081487 5002601 27976293 79481520 10706656 14735660 12129477 16000054 4622307 17772665 27123365 6772555 63379530 15786219 1107595 32318505 56560220 4447843 12544240 4039345 7471673 4850073 6492133 5344705 25900385 13235787 157819651 22055351 15501464 113860373 4481192 5261146 33237855 52391364 82802805 18275244 8385812 86719598 56947633 34228940 20736096 336201105 352678499 10215777 27285957 97390502 13407012 4148836 40439317 23169712 28922559 132626840 3466046 18147770 36371707 9002789 8164618 20078762 19266628 20152886 20723402 Oxoadipic acid 5578045 4607162 8217427 5370897 5655366 3778307 11574231 13701672 5298769 10262543 6064687 7235855 20275885 4863734 14764851 7658257 4574530 10707831 8953466 6949750 11345214 6110949 5811877 7468586 18305981 4920293 9484090 6602460 8028211 4920754 5456265 13957428 10469570 11188640 32447441 4874514 12375288 10918623 3970986 12622027 8861086 7591198 5116384 11078028 7256303 5352957 5024571 7503424 3004475 12934957 7372865 10208368 9743781 3235026 4757370 6950321 6322639 4920551 8620531 10800185 16595941 11160698 7055665 21520006 7941660 15292445 7042369 10596641 10075722 9172890 4419748 10962103 9147919 10832055 7360802 12865077 20978571 9112728 9790437 6423865 9195912 19894440 9773791 10707321 12787356 11041254 4661589 9534179 14643884 9680508 5666062 10088024 10329687 11300571 10380635 Pimelic acid 131206294 35387749 63982995 46053203 25207414 26028416 73863346 73034240 100759579 250752491 28536679 34543945 72522330 26919950 18250081 94687269 57848907 120161891 79463356 57214481 65615352 29261245 17501968 41540346 118638809 57567625 101641918 75429282 117947483 20947854 44038809 47950544 54637875 87742509 58603666 23786448 87254317 95085586 21783075 83695358 58754518 74689496 42775643 53843298 59212668 24157057 76211649 71677131 11136220 70135277 75342119 39046821 65769280 19880774 9648631 26615839 52467655 35648723 31277425 70379003 79368097 40711291 53002997 230549594 46618662 179340466 251124779 105657219 53886661 65656414 25689024 101217535 99085387 46606907 50593107 123380682 89425069 21391542 65102233 71165518 33809239 218328722 105515248 50612566 38887690 213175478 24709149 180927636 35793555 29589555 31956142 63692484 71926922 72888890 68628854 3-Hydroxymethylglutaric acid 164724720 93274938 169098692 188925808 72928083 123244962 215992227 156267245 170618193 248211300 130951655 118752005 203747663 151212818 76267951 215526412 167193297 153787457 290614366 225421882 198490099 154656307 103436913 227941083 627569305 134597726 149060408 134339190 189524827 187828043 91723566 397549830 126336652 111615710 155541978 76089197 144201021 193742733 59675132 136001861 147565852 310045493 117177866 127230033 100444072 96891348 218507565 114774313 60026940 172861341 171715968 253171568 122527332 65483030 83197605 163987630 168952901 75616591 72246738 107474527 147609748 122175416 83584403 361922249 55261961 308297854 127862098 129206 133684750 185282835 57642698 643367239 153800021 145326706 133009985 191151567 128165372 61000289 99638268 108031702 86018647 374356619 185242818 74660166 91750596 240939816 48006557 126891431 146817392 93667903 55164292 156371202 158079058 162227204 148306912 Acesulfame 54334 219206 154818 61584 438484283 106537 116012 17059285124 241835 30929 54959 2609520555 475824207 3238987 28093 49038 26957 16831665 35435270 5649455 4701836 22240919 52483 630681 23148463 235479 7125008 4505206674 9048 482186 176322414 5409258 302491 32594391 4868978 2773642 535370 1286559267 141014068 10439503 375770 2140570 402498 3375779 1629788047 62182 89639001 62642274 2031267 550878302 64690021 580912 1036188 11824 37713 963609 760985 104246405 283660190 14959580927 2306991573 1951987 330407363 5397681482 3111375 832995 846217466 8404913589 35310579 93164690 43932309 1088042988 80495213 682105759 460670 14605812 47715447 168554 13774044476 106224804 2441322 10046188 11700138 56248319 1067721 332322847 304532115 353558496 782862533 3870462 172602441 707493329 701896165 697510786 673307670 1,5-Anhydrosorbitol 41752263 30473959 225646365 22058117 84963148 66153390 39679636 67695266 56073958 45307050 74285351 83917988 164369252 45917893 48922180 159173118 104526375 112804416 38508215 91166046 127981440 101300505 173257952 42033829 60082668 259536574 356035009 74924000 65101060 65699412 66866608 121350882 54354067 100470425 139974265 25343689 55624035 67286057 17004800 67324909 41158428 49815405 12450165 56178744 99750492 47840185 95650627 45278699 29814925 76158164 86241202 37393961 81727617 35950997 20884257 101793976 201510446 500544366 50188819 76770885 69955932 65984139 44237626 471509878 14537175 231534051 83903929 118060184 41301535 47780116 29512282 158156191 38659600 43190283 56094364 142599158 75921075 45730920 176213396 73036871 29235414 100362435 55651186 55050971 35231915 81314515 24484554 49101510 43231476 110891945 78547341 76833752 79394492 80058640 74367803 Methionine sulfoxide 3386215 2961891 14923047 155143 1666757 1710451 4629694 38387398 5301286 1370069 4040590 2656139 2298970 1765885 224172 16889860 2148799 4665928 1137157 5122083 1360643 3319812 5930680 673832 10819807 9195628 15527958 20777318 1903757 198548 2017056 112777 11003423 12313406 4016004 1614080 3450240 35908104 1229653 9240504 3892691 20497742 2131320 12914281 5326929 3844273 17957171 4421993 202753 8608715 25437317 6430139 4923176 869326 225848 483083 2335386 112777 1351079 7516627 12094893 1803723 1820300 7260508 1596857 8854209 8682881 15037647 9812104 2440805 3321627 19976200 5267104 1591971 14692802 1542051 8452924 11669420 52376983 15070758 5719842 26541070 5478055 11802001 11758205 8887665 1755895 1885477 9502857 11025894 406383 5114241 5264987 5521639 5056615 Ribonic acid+Xylonate 156835307 170188130 216791570 191329986 150260641 81772823 221001446 224843861 266459184 248907124 118637085 186910418 329967256 125913841 85313759 311220993 103690236 238003488 181430588 207089492 230768849 113916429 150104208 220387596 183567516 574581080 474772575 216430466 181157018 104727657 132512521 228528380 202904183 145484039 275110574 81782648 184953705 280731549 83188804 281981632 159158193 197322009 165918416 191956226 201819352 134312275 278959125 143198605 83579477 291866109 258155410 116993904 159701575 75096160 143208713 131734959 171480406 59734269 132380960 361543006 119065580 129064605 123187907 502689289 133382664 360459668 274091364 127214141 159439540 295755801 163955571 296828653 135475122 306396084 273023195 178493265 154014240 119736198 152622631 351376565 198405626 356292851 226657198 178650281 111468558 315878413 189622493 310315120 211596655 123762942 125582476 211731341 203926681 219944854 200657316 1-Methylxanthine 6079128 9929895 20428880 8871929 150294482 16664623 24906533 20029263 20397771 28752149 9186723 60822317 85618090 20183920 4567058 83488 1433088 178481122 386334 9449577 277672 15901395 8330413 21176127 73902 21849716 8053178 33744 4804557 8809585 204181837 2759205 30016724 19763507 40850283 8203609 100835917 25431 7234651 606743 36909990 14419 7756588 48777 15611013 12002109 172001 167872259 3354403 70710452 19237 11500261 76769872 2617608 10094655 6495050 4284401 36701509 244441939 13376928 459996178 279224938 550843765 1592781443 3909530 111867137 85470 519789806 27008733 190192837 69702000 78776 55387016 143571104 417480 1095861333 1630941290 75771475 257699 25436 28877104 123322 368368147 6588937 14642262 146253745 4701960 11938543 46001922 5978859 28901838 124728914 122421608 128071176 125894984 7-Methylxanthine 28799 228341 4294 3231419 164853486 1601102 235274 191938 20328466 28752149 425132 106750061 57308524 9038747 6317870 16896356 1903831 54825689 228010897 2232994 1012300 3765735 46506 156669 135627659 569589 94877719 41433949 1965714 26356233 45226421 1498019 190045538 19763507 26438527 1998624 60255835 88854212 2065443 18522219 6616375 26456597 107738 104868965 1628142 162456 386837319 33060553 144484 39856293 1176257284 1908449 27438041 46471 2534476 81139 1553764 84502098 142879973 3484150 143835335 93393192 109908379 496573674 37282 98695869 62153677 425950674 33631492 45047506 38793205 32723967 43603902 24414146 57074855 167095733 684755587 22358186 140288866 791014364 5102360 83482667 126121370 6588937 24475 27998008 145742 4273659 20281539 40867 78058840 39871584 42518138 43427434 40439220 M2X-RT56MZ165 605731 1604985 15253217 784394 17448152 579146379 1636521 34618802 7300848 12250799 7922844 2794531 13913404 1939287 4704904 6084552 2852378 3938429 555635 2630252 7120676 2906902 1488231 2507272 1808082 2202738 4385310 5384355 4077488 398738 1064826 4306434 4297314 2888873 1031199 1179972 1784573 6769792 426279 8269111 8611466 2410815 1315956 1033797 22561834 449905 5318373 8442665 633780 10863425 5945649 1425473 5257302 1373060 1420872 3739801 1303231 4390701 1178149 1059915 3089748 3885409 14207609 10113537 966858 29766156 5602690 12477098 15264703 2562102 1948986 1561907310 17246581 13468473 4902083 16344758 1139939 1776251 1695010 3870742 1950189 3972 5622367 2561401 3051382 11267268 4893948 8762862 7231933 25166202 1296436 19449787 19058634 20155780 20228686 Desaminotyrosine 2925893 823212 28352513 65861 306751 122022 592841 6059006 596638 75581 98925 6971016 99928 19876 4700886 18062204 53108 648710 48290 483956 222982 20736335 19234 54371 573304 58058 588198 6189445 187419 245388 6648207 4306434 6802138 3693749 256735 627047 4041874 20659942 12132373 5509103 2250331 401097 99309 7442703 16038337 189141 42833708 753731 50906 44945685 40942332 249420 24274178 422476 51218 165448 18405 2649103 734215 241243 852275 18757576 1819255 6908236 6683 60824637 973894 12080590 6250623 1477571 2038725 132617729 154161879 16649510 24360181 4410179 5161133 621579 6864600 998540 1605716 28556273 7560901 1618660 12092989 25104930 794158 566952 6638418 879425 3339143 4518745 5464466 5130851 5136457 4-Hydroxyphenyl-2-propionic acid 39972 1139360 36103042 365064 2644357 817214 88429 43523118 33080 54328 263921 3595217 2090961 658216 5042968 392960 442523 3769452 135279 1184143 7353946 1934624 1150876 17410 67172 3697 2660717 574990 292336 580234 1333812 122711 19719449 182983 978105 460478 1618288 1244618 785409 5167789 126193 1197847 414578 1395034 24697238 160917 25878437 2485729 184222 11375382 20129872 396082 17695532 79201 41261 3386302 922212 238354 9105993 7015793 10555168 14641412 2022147 19218034 1712865 123731 4460163 3714846 90664813 85626 2554109 1683263450 46896348 46032 3706347 80459214 45556546 4484413 199710 957611 30245405 753736 5327518 12480548 12183543 26601780 2351796 2388710 13014151 75809597 1062288 10478444 10278284 10444357 10659153 M2X-RT367MZ165 15348969 22766653 29756622 19958895 15704810 25868196 343202920 30627559 6880756 46126510 38969704 20383048 110698224 44607777 2013123 62226608 31779573 14525567 80065165 31170380 54248823 61610376 21228775 77923278 170939642 26445864 34811451 52092942 19154799 65850830 64497043 5047652 49864064 66075170 6901619 33328764 38082961 66246852 21358819 42922556 54539339 122580235 54919944 61878101 25913266 13965462 135601486 34308094 3022785 95020604 174817250 53279461 102429386 16547680 7095043 19033027 35157213 51246273 14187581 42586805 95404063 65547078 25277522 45819832 16333352 39867829 54317351 68268782 5789090 85243879 16987083 41875968 119338518 24860430 31131996 76821290 87700135 40334371 112397382 15608388 2371077 14502561 20241741 8348979 6768864 83318601 9648773 40922899 49531125 40789664 21602557 44843703 44446980 41907886 43236083 M2X-RT386MZ165 17475654 24166850 36667525 16060978 8114514 31702419 417893299 22846405 5276791 62738030 80074956 28513731 36329752 45917678 2562133 105080406 42793168 15329452 53747654 31855401 25592671 113109375 30634728 53778484 278527372 32289583 45465395 64800603 12756992 28796529 73775311 7079722 49478271 74234993 3158831 43783710 25445163 32025971 20939212 29130806 63632685 177500014 44660142 77530085 36099090 3528223 79590611 23278748 7268926 98031938 111965319 76041870 119522148 21582898 2361082 19643428 44347145 84282610 11134853 53335035 75191182 58306720 17779075 32396060 10552890 55968452 67858087 42910802 6293645 96638061 18079767 42354944 101126268 38781474 13851546 13063012 37499624 24383885 77013486 7243158 4283544 7309487 14377884 11819839 10387835 67375826 6539822 23841950 51317090 35651873 15743237 43295841 42411291 39973223 39144315 N-Acetyltaurine 45420516 26596322 51229839 21096968 22504656 34732537 47440966 96855126 74760844 57098796 50866369 24483639 90475636 27514259 11376323 203164299 29689549 31088447 79223802 43807756 76392747 49850437 36181266 42956843 107699130 113465554 82899173 106907843 46248264 17002207 48464585 49047585 77478735 44137270 32347071 21269992 54139027 89854541 18112046 40379687 51993949 76639510 32131023 30791448 38605940 25831475 82484649 29512591 14522719 26766282 81644412 59011048 32532705 19793605 21990229 24299057 45848276 19723158 21128481 46667893 50575198 31367977 26430572 55455140 14981350 52923567 38239775 46621499 31554003 36372123 20253604 181544454 25795424 49693762 59748289 27743549 45156570 35926110 55326142 61484029 27597625 121416089 52258323 38867082 26135748 33903646 15611988 43174516 29411802 29868585 14425510 38627984 38297385 38569516 36667189 Uric acid 1799740912 565997321 2002267554 857543659 727421858 436951716 1033364906 1126486855 1380272080 1316831403 2057498248 907453016 1763703391 751729218 564506702 3509205211 1250520333 772169077 2335931279 1444069986 1595161943 1418080664 926017379 837763421 2157554576 4617487042 2773715379 1919181657 1355979519 711659004 930731508 2021175988 1068986069 1135166730 1994135747 933798997 1101251241 1933711142 396801313 913763101 1346098528 1494940699 805742852 1183356272 1069083933 776736414 1411691895 643929895 459722926 839726657 1482048680 1033890130 1069141200 524887099 415820547 904928338 1186885078 1072597913 1029930231 1284794757 652672551 1187559135 827847615 1296200384 824719407 1256677933 1290140656 917376410 919855737 1119163220 676925446 1483708705 623799810 950577105 1171334281 1099107418 1276882866 860529527 994110366 2065965703 677439752 1105789015 1045302551 922254248 983948069 1802402586 447910535 1202986785 891624517 1041293497 591015458 1136695526 1112347913 1089110601 1095856015 Pyridoxine 20539003 9706969 22207673 18046295 10240617 11960253 29639323 16593737 27461026 22959183 24092534 17944097 30005639 19232700 3554868 41254465 23858047 12224399 28077800 36617423 575911155 82127103 28559516 22803126 316978935 88364161 27129369 34597012 22238622 9208411 10674599 47167197 19412706 16536250 15482934 7343497 15653992 47202293 4522223 19687070 11054042 36918163 7578972 14189915 8975015 8009342 39873435 8812364 16017680 23731890 34957849 116749792 20431329 13157658 5109128 32860846 81812950 5208286293 4775670 10745833 22689588 13959699 9292384 35663886 2967251 23061737 20976305 32800019 9629201 25597569 6697412 40154053 15855644 18020996 26966286 18720113 19205298 11048804 37190620 35065100 6980140 38426918 20649321 8041716 7940024 25572545 3478549 8542174 9384269 7286979 4115923 54160812 52352433 53255367 48516575 3-Methylhistidine 88266911 35477251 165309274 69737351 42731647 18675879 71526106 49042929 134556100 62687400 61710950 41026733 255508638 35226124 15044836 136305393 42743180 72875019 134585124 81628789 89975307 137772498 33462252 64838822 259732969 208570996 54479193 298123466 86842888 50629958 301157531 50971807 53856747 128908796 61041744 44170424 87184590 1686520991 39424072 93960188 44924032 111725786 33947528 171882368 113654001 113558855 612724260 92585735 32531894 76110989 461896299 46362424 57520061 29307166 25583945 32885395 37753868 44727322 422257840 265748982 554028605 142599388 182443970 109200481 67184030 124697205 318863781 632584328 66167012 210533799 58610906 1713152642 73009144 282044625 342697019 161296933 247694132 280350223 186019208 2689069175 196635438 55702762 63267657 403254801 333035477 353747868 170350534 34165336 52291275 44495320 114992262 138781756 147326232 147503414 145118998 Glycerol 3-phosphate 3922818 7857901 38459237 11065535 4860313 3112712 3038977 27816114 30061107 34037335 1605567 11446540 9696759 9128200 1036076 14502772 8893942 8617918 38959451 12090303 22672419 33225881 24582799 15420865 22871377 23345384 26509666 25231306 13658530 10273480 8911168 15023965 13107374 12893992 3221503 9373914 15575917 40350703 2172120 22672526 17780279 22459242 9154921 41019574 21764440 4937023 17313876 10670852 6879073 21106045 22130748 51520842 42149440 9737721 2525320 33998778 22372091 28853932 13377922 51542380 12432457 4869880 28500262 10998478 16109570 16711450 16366644 13587204 55924362 37433621 3659289 33246994 7122581 6550342 39823894 29843305 11350050 45064729 45990751 41601626 18367373 20017233 17270867 28486625 63617710 8027045 11833899 4975733 17022713 8395996 4123643 18455575 18661223 18944899 18384312 Hydantoin-5-propionic acid 78109687 11037623 46352928 18766328 11265347 23573110 14036206 17274957 33150376 24642630 24901039 16299750 27918253 15275254 10020396 34246552 17668863 28781524 29494774 22637962 43053686 11620057 12098825 27558338 93209565 75918138 48831744 36631747 17804060 10251723 23762483 14969918 23587953 25017457 62964641 8019976 29775291 67971718 8184783 24185455 27150673 30206595 10529729 23215618 28357437 11504076 25633862 22664487 6379870 30753539 31518464 7208240 25534300 7324819 8498754 9833963 26634399 8596107 18504371 33469581 19864667 25730631 10683529 48118327 11854753 28829763 20160747 22625725 14229876 27789489 10751762 37170517 26175922 25551915 22353150 34259991 20542114 12388711 15736324 43577214 12649703 30571233 22621286 16048021 12502217 59161242 8450535 13209572 21869809 15491364 9041583 23185448 22751286 23442908 23197136 N-Acetylleucine 69490777 23217945 121341026 25625986 24554615 6696612 89859654 28084416 6848062 169308658 28803532 43126774 37873411 29523299 5888692 289700497 103142108 12564949 143112258 22348818 57341702 82351978 38978666 33491007 284049689 83738769 18598207 40490395 23620883 16847148 57749526 36929809 51055766 49644377 87875 26658648 37575050 185800838 16697205 74592799 55952494 24993392 25315156 55245494 62018886 32152021 29446070 32384571 15829857 58029739 63722460 61157204 21287134 28834707 15085373 33072291 39423422 60266223 31316149 50909057 103205957 83569879 51472428 10608886 22765412 86685192 37428684 29886875 70109910 17462930 25065520 12032564 48202642 62057384 50944974 15085086 54048727 28565735 61041580 9587570 13284319 20640729 46695092 15856511 36842897 4330027 15277888 59314087 1937270 30368191 6745507 37361385 45374100 41973607 44219664 Hexanoylglycine 1022664 1645329 4147787 2752905 1477656 164422936 10019604 1860795 6699757 7702325 1649979 5372200 13644894 1751800 304505 18079105 2698968 1448887 3154563 938436 7818336 3108866 2121447 4173414 11561584 2458184 3123533 12946978 9592556 1705501 4784149 1881941 22908063 10882164 1327686 7538784 2882461 13729365 1744437 6075105 6351890 5269045 1861730 4020191 4441370 1394914 12591383 5045524 697244 5224793 14679288 6118130 2105717 1085201 2804333 959197 3389560 3314691 5128650 1812304 8574841 4094640 2366180 18736894 2352395 8709506 20868898 9180006 10841092 5171825 3612912 13780279 12043113 5845279 3275070 257149199 7324875 6437160 18019530 17981836 4002729 21466891 2960802 15253344 24612397 15387841 5817757 2877426 5966434 2565634 3030258 7166050 6684424 6133939 7224163 Phenol sulphate 9436446117 1899258600 3201676711 2597902603 4648601081 14185718641 1721990764 1221471827 21947706543 15575390235 160386819 4066620642 22864449206 12265779219 204113369 9461465792 3784764914 8003935214 3996188548 8665770597 7346272623 6328945826 5614518474 1632854457 9645543373 600438183 910694287 46012880822 28926069789 760402401 2266492842 5263484926 4713089517 19711642236 8653428718 711521889 5922356642 13115628631 7685968404 6098904218 5761122703 38593031435 4467834668 4628909561 3638593194 2329331242 8719505194 8682644317 1803607399 12187079369 8305915017 1414348505 16497797668 3235413830 2186383604 6025976316 677226003 2253119575 3807380809 2689726840 7379542451 3550173629 7212491671 26925203135 3421640069 7379230540 8035248784 14883678062 4696541195 18587238263 6405720282 27594013803 8412950315 4035822054 9826403520 4405940473 2953575288 14945462341 20453877597 21284554516 9645184973 14943935935 3541017776 8699563543 4196957544 35331296500 1329802549 3010307332 29219206157 3586013523 584705548 7857216885 8276029119 7811172921 8230067747 Aconitic acid 1088153926 915630240 1846618834 1226109311 1132757314 1646793706 2632283545 2136036115 1705829858 2245786400 1026441168 1164974817 2241102189 1160659253 311570700 2109581186 1594282125 1104332979 2050165273 1780335529 2458865708 1344281782 1442225914 1760493326 2024776131 1128068514 1541045544 2306497895 2416490572 511824085 1701160402 1087334365 2067804258 1976551349 454662865 927079819 2078829733 1665239117 1080114095 2743450403 1762175793 2879746677 1342926539 1649682052 1258968354 1143469262 2214310693 1556990186 1137977208 2262901991 2078265302 2322063291 1558691815 1444250301 964220325 1063534734 1635452123 2297455930 1211343766 1764289825 2023694355 1780403246 2221709441 2578356244 731810558 2937291466 1749695655 3048518738 2824340890 1690311501 933398485 2628409887 1677691147 1853061814 1760996849 2259441633 1942976820 1277996467 2590146093 1611306427 1556136489 4178027792 2644543851 1550744455 2020158756 2100011689 780413669 2202285955 1930791328 1516150412 835076366 1886659244 1892578035 1893695558 1913375934 Suberic acid(FFA(8:0-DC) 75672554 15402130 48371149 32951443 19749369 56255009 75940841 19570674 100252731 143838533 55467275 29584096 67396520 36898631 8218366 160127400 47658540 54613287 116176650 57201274 63817410 28462672 24281939 41435310 104750654 153068 12198488 86396872 81455481 31792933 46837035 45805340 35515538 56060568 41529143 15954689 36023235 130978728 13208826 46124124 44487709 103984550 25510553 43832590 52234378 19039584 77286776 33730743 8889721 47238193 87096466 38202006 37947874 8613364 14615291 15342484 22954576 31554355 24539345 33682801 60248313 40301109 16979179 110446541 45838483 73583175 176034138 98862017 34266715 59969963 13620890 134938518 58827197 53904575 54594894 88657658 55271495 16152669 57338218 97396750 14546877 117488205 58466888 30044628 17981968 129529960 12390770 304732572 22858333 25364022 11426387 40504784 42634288 43769358 42349689 N5-Acetylornithine 16330085 4030885 25684232 6088572 12149720 12151453 10784349 16310232 13727634 10059231 17728203 10826390 13420341 8526601 5057680 130383303 7208883 8145165 9821041 35748873 30394391 13724389 17890856 4374976 20002844 58169831 49291479 18696289 6208884 7217148 4600086 12640215 9049576 10089954 22674237 4013322 9475064 26588613 3628872 11922151 5518214 14304469 3239180 8783119 11863094 4999258 10323298 8154230 7597869 12516751 12041100 19843992 9508227 3558846 2181673 6484037 27361014 10376995 17298789 19367698 7185846 8185578 5926384 46995717 2437107 24245090 12456532 20427502 10640387 8331720 3495904 16816667 9422301 4824523 17292310 7009670 5741418 4875530 8492534 11748738 5179779 24582667 10209207 6795148 5697817 16927006 3394732 5609282 4895834 5352361 2385384 10425173 10704021 10080297 9408794 Alliin 87939 891248 4299899 55106 1411917 228321 542084 14852523 5172238 2016401 44209 2579852 3021836 21228 37276 119664 50095 12581174 387093 3204845 2192536 6382788 230543 66774 821712 809897 471776 1849800 2491043 43745 5822825 45847 9276588 2335592 560169 550374 320361 4073110 486432 3167290 220964 2904000 472313 4215611 2001197 412767 44522821 3770479 52395 3907331 39179291 110925 6621712 450564 48665 1371130 63827 906804 4915706 1472611 2361220 6178111 13068751 26434499 858542 11653862 3726125 7067861 777824 5047073 3231131 19657914 1943696 6197139 21233714 1284564 3005273 3012785 11584814 30983305 12831410 33864022 19487613 23454356 6708151 4166859 740760 6804800 7181571 2296241 1096658 4102851 5347004 4205218 3658803 N-Formyl-L-methionine 2042001 3344507 22659172 4433331 1549119 15380080 25853558 30643565 5707234 124588857 9868262 7123689 10995320 2099310 1070872 26637082 2010294 5327859 11942802 7026384 19413892 1491265 8006065 3421109 10204535 4865015 11028840 13275322 4087618 2276775 12418259 1427613 9171669 7007577 2926987 3908658 7181710 20008572 3197347 10214136 3685029 19497795 6366198 7327941 9939874 5241375 11259236 8104500 4681331 14842791 14053218 16053289 8924032 3897971 969449 9526474 4764986 7836995 6070949 13508894 15090691 10746641 10900351 13118285 3097674 11581601 9003888 16246131 21768268 6998181 4153304 19410880 16377264 7041242 6009305 11316451 9380885 7536841 14322949 8118355 7883129 16655583 6051997 7209006 12205526 8818809 3143877 6493500 8234873 10639418 3300504 7175376 6767859 6506669 6708429 Gluconolactone 54467165 45429540 42119605 39062593 50760507 26632692 73103555 72601042 46642045 43274613 63295956 44150014 66018463 37824791 76620721 86006519 30823809 55446709 75304578 58238317 76944106 37954981 44213387 62427279 93234172 107607293 120270896 56976120 42182744 33123463 33036105 61389652 40276507 39638204 50121444 20859047 34031754 60133639 15576003 46959847 45110210 49441244 36382456 38253147 30113903 20866736 47215620 32778797 24563177 41542793 45812753 58620546 46716840 23724873 25045660 28340338 52287616 32426010 26371793 35894219 36696292 32528544 79403138 150972380 19593052 59754762 44160997 42082352 37012567 50976721 22470757 63639933 26071738 44337526 49671507 67876426 41236653 24975181 54865051 70150890 29258386 68307072 47542428 33501165 28544914 52157445 16749389 41295741 31999533 22761630 14606127 44685024 45807165 46013571 44782042 4-Hydroxyphenylpyruvic acid 19266807 3086173 74124519 12795776 30635846 22602720 259459487 141223526 26941617 22092573 55557027 142015075 51792178 27905143 12698151 101986311 6690409 97328849 82915456 15963592 31037603 16719346 15418922 27600339 43545977 33884657 79560507 15734048 75730416 10043444 13549357 16701327 41360135 10092550 17831740 6106604 98927304 85026727 6767589 25397573 47121012 244646260 14420993 13954019 72076181 10262148 27330399 45911842 62373447 41300995 31207687 83932986 22485651 12233741 9908325 12309489 140451634 28908499 20434070 23385869 57454843 19690845 45141482 106632308 3502189 42174683 22932800 2371020519 31180260 21361630 6105915 1820945929 42231411 18480699 21247810 18626573 60548260 81765579 69044414 129663565 34723368 62637236 9504324 27709573 67080857 43748500 5625548 22963977 32151406 7716205 11889518 61836133 61708610 65547585 63919019 M2X-RT67MZ179 104789549 37515546 84249792 51104886 24656255 44085165 109650525 39364584 88506153 90014527 84747716 47654230 71394086 41858741 22392352 358820077 38624055 67398329 120362404 69080144 187398736 78898993 46768277 62566467 393236773 174908180 31718420 144383504 38264921 44676169 82353505 64712646 70250123 83625581 30026217 56502244 55284354 205540404 17490767 123295494 64079298 116996249 67427148 81997387 58072347 19201494 99224318 39791745 9603169 111273495 115940163 50056927 96728154 7809960 38085533 45157522 43571872 47788674 44111387 78420498 158716519 82383176 74448362 191966870 26324660 200995333 67900952 164350427 76009195 185560459 20104546 385200052 113420153 118616371 98156353 172448772 258777326 47082881 147525377 147324421 23307797 302878075 110356072 52020284 88669024 223317846 18350289 32257145 81323095 42792553 19698135 72509610 71362219 72095772 69209898 Glucose+myo-Inositol 405377724 157503360 595374560 170495004 675958265 190488470 579211022 1648192322 384191989 342240496 312598064 500017905 443222511 180738809 212561197 523712910 219022983 478119982 334192498 479847669 377418647 179928143 279813463 236980784 291123791 892515563 1840937218 348346163 230815831 193083827 122000370 1205078453 199370289 158101925 731648430 100684019 185129874 303545268 63868438 211394589 94809283 269447013 153351597 156384311 172778982 109431293 303473748 177802469 176945250 165842420 290399932 1125885330 205745941 99203198 67403715 257906074 841559884 306184571 122712130 178555528 118902240 173603340 2264978289 1075864037 74660577 239493543 234052065 287475102 174899767 209744075 86324264 367565401 117849600 220111605 195956944 692361596 242589844 84102261 238643045 317173207 158286085 116181 200401612 119773168 77349227 263523514 103735809 198374364 123862671 165674431 66176474 302947422 322916866 324517290 313517277 Paraxanthine 228879 36207 213206 6876907 235656127 1639343 6214176 22949815 148346 70815 5035500 107902828 11635431 11158256 4458141 121048 5919652 35410400 77661159 10363791 80481550 210972 8966923 719849 21433181 3401733 12249484 167806 36207 10070210 69622206 16755701 6830762 5657432 47033854 1574509 111655140 16643687 3368275 36207 53823170 603010 826487 5837799 5591565 278305 161613834 207804658 1238765 26450271 112701860 16991503 18079291 2350193 2574250 5620000 7603153 76714117 264363399 12771956 553667878 293443896 396887508 187575182 633168 48164218 88885936 297165100 359920788 37595002 64884055 1163100 18267363 13669522 62834440 421098423 1355131391 33924325 215180911 136817423 9865754 8200496 105143401 36207 36207 79902091 1648913 340881 13855057 428095 16237647 44309266 49969725 46876204 49150205 Methionine sulfone 53158592 11270180 39853204 16673396 160572659 22081105 37434699 24169234 45352529 19574778 86536441 150793276 49362669 136439344 3522128 643086294 350448090 17084171 253174720 37506191 273973505 38645628 19730258 28874387 68836182 45750295 441940328 61247931 494203523 15708957 16238083 1803011932 28521479 38929438 19716814 17049072 13547768 61459351 6239856 31151024 23637015 57868469 17755033 35296465 16785783 16175241 54742821 22582628 6564547 25932892 56405942 40305168 24052971 6654722 7924352 11953934 18800695 1274265562 12993616 16025117 35506753 14754904 18245419 33826642 6399559 27317973 21823310 37332654 19406769 31352011 8685430 35609158 16956196 29606990 59168041 18330601 22620463 18508382 51275721 48614776 14460825 57966606 25228701 21816067 18182270 33830980 4393041 13569403 13871985 13823588 5164958 38488591 38544551 37480938 36473390 8-Hydroxy-7-methylguanine 94517188 46729400 197450672 115344403 34773463 78526945 172878035 130096450 196824000 138510701 83916079 78203676 160688549 90323451 49157767 27079894 32203629 94480217 103652339 112034213 129698971 91566808 30055926 102314662 130150977 95443297 55749071 182136851 43813669 77508806 85520513 16010168 102725229 115236260 85647176 50070748 211958796 124165587 50461598 139233433 144696275 215511761 46597933 144376091 70380528 62715298 275530681 69080111 14576531 139176289 233870659 53294031 113157171 28319668 16585526 66046269 148753155 15927666 44195977 62108033 48536122 102593985 59416071 117443558 30478028 71320330 55534268 246041375 131578485 92833924 49566223 128653484 92803933 86256483 224447397 163638202 114694543 127641237 87681853 249233047 71858538 230575694 170728819 85681050 108932750 116841154 29703381 47619383 80708995 55380537 35804258 91378763 84328825 88932806 85000041 7-Methyluric acid 32090602 17168503 60457331 31925480 413197571 16755542 40539965 57991986 49736337 38246951 33822194 246855861 68591094 39108884 18823932 124721248 37539191 372836051 206379582 56816908 55968256 28753374 21688220 24200644 184067268 42528515 123324555 56652408 58885952 67451260 92028212 109736219 77592959 36792564 237556349 16176696 127737472 65067654 14967725 30921624 73851100 55590994 18662913 73662214 17065583 16960175 683014991 118416317 13837557 50202969 446010179 23376184 43975939 13671257 9474890 24318863 39274767 96259333 191210156 15113685 146551045 133332682 155173780 259335505 9830796 79890927 316940113 356116257 24238433 112705293 76726507 37995990 52013199 74219597 102198317 405493321 747583670 59430009 115036596 673851076 32006730 113675699 239216200 19351597 23296529 89099535 9760053 15736033 30166419 13021171 35786710 80175575 80326979 78920995 77171066 Hydroxyphenyllactic acid 408697391 619357577 1316574592 88383177 496533335 453953005 648068198 1639415053 182212741 181063668 907586050 859021417 121444948 177643933 151487347 880537176 200571242 366905007 203789047 442805353 214837268 135563362 97506058 159811483 252929200 1515966836 614545354 277235818 572010827 142485594 116385765 91093371 325039040 138857175 167658275 34318600 206080853 243591511 39020067 864044355 102503111 963351662 100510596 176287808 137998987 53874524 1218812723 223226526 70140349 194766600 996873849 457152729 427187678 39835385 32718622 197252774 443164823 994894236 219822108 394896896 481520270 298067970 414100903 1027156416 73690255 2237304373 423299526 1003520995 6362571456 94007313 156364350 1645796856 255549026 106439766 541687926 215185534 1513644276 276259932 236714466 295637359 449286297 667179412 418952745 575391048 346316598 541567418 91674441 149972927 459516947 63855042 54669869 370766386 368277438 376604323 362050060 Mannitol+Sorbitol 199926137 470166984 190121670 48840577 942071577 717716385 144280875 120935880 56711990 74683414 737281766 59933149 181489832 1054278220 919745966 137242060 957412368 449898028 291748331 1314164369 2687712137 2343093914 2252744086 542123204 110020615 6698452038 1161286586 98730628 250083506 514449926 60985056 2813083255 159193073 71443491 1535140924 308610990 70314809 94467264 26799697 639740906 76748409 231586657 106396573 43434179 598735873 35846644 109857824 75937627 175897897 116092586 92328697 504390628 111563746 746987982 342847292 1553746668 3156281339 103039985 55676716 151434122 871916768 56928944 110160697 423591442 32551231 144929361 145418224 319015343 73771027 104028239 41682441 144989912 81334938 74885613 79218750 52977093 48365174 33171295 135817493 92496325 42131994 249492373 75865210 52801649 35084730 151638808 23179855 101851706 371951079 210575729 34961192 414599259 434353433 455004278 454117131 M2X-RT161MZ183 67052115 13117860 106684136 47484310 31986917 19952032 85308555 60229511 35134333 160312305 67635522 43151376 39538460 43374834 8723115 59740285 34757013 15536456 49146612 24764385 111357629 24368802 19542937 21144540 88767334 39034584 54282712 78131832 43724231 9400101 15547444 18185954 33406188 44117591 13258272 12310241 67333822 94838540 13061752 59405693 40630991 168378910 21979998 61703118 35268791 18854010 112479991 39469096 7723810 73186413 113180004 26394571 24838166 6345369 6550423 11535127 39737366 22323683 4965459 16998953 106362295 38216365 19566181 63692354 4268144 124156354 21812971 79013370 68710502 34078753 12659415 69045036 40801011 25997262 67191498 38391078 44543385 17072825 80036305 40392891 27609608 74158612 56219756 27243839 51379919 23152392 7865082 38529815 76745296 7964471 7669063 34093801 32504911 33242511 31335514 Hepteneoylglycine 168801 244399 562120 160264 554241 243973 554929 431115 499374 365987 699994 495144 366921 235592 110974 2557288 185303 497387 492074 729336 290360 109926 111269 221275 583431 238396 585163 973314 113494 179712 569094 186965 322928 510685 107588 71282 341758 1267174 326523 353121 93204 112740 349290 554897 340677 350031 2908032 335500 75873 641714 2003000 365782 1023282 250546 150749 210761 131544 357814 372610 942275 419082 372017 447520 206246 102040 782010 612719 828996 218332 311369 185910 1831721 1291829 449337 365545 1798886 254400 193898 536937 613978 89024 210613 479885 168063 266901 1342512 88708 143903 303659 278194 135899 559965 557906 380529 448461 Undecanoic acid(FFA(11:0) 256639 243461 489848 300120 314452 315112 449564 320264 484309 333230 218794 325248 478360 372037 391589 118232 365086 453802 234088 528453 530368 528789 118585 313604 354374 305170 565061 241674 542727 231639 344642 253540 373396 330179 428643 347340 264698 162071 241842 422775 332386 401417 486114 395999 235261 418039 459622 379524 602175 477909 244599 406432 366657 261808 401442 318569 440631 439702 271687 317189 434643 296866 490087 260847 298177 388322 341546 407080 1375458 524417 271805 352467 257886 434264 547732 304293 324224 349724 502708 226370 346683 449928 422981 503008 280808 297437 258293 430051 451548 311039 272696 318593 440044 404539 346545 Azelaic acid(FFA(9:0-DC) 59518450 17730940 92011006 14005290 51254969 24106915 40471248 61286852 26979365 80258890 51227594 17020641 16553817 20860850 8828429 22729545 23801024 110476374 8833636 15139607 21007456 10935219 15134199 17303914 13221537 29100090 35541872 6713487 98666298 12958297 54623168 13526250 73922277 33076275 58885522 14019748 49236225 6207578 22522306 14336850 24544392 18712208 15926288 11975212 195254539 42006267 19754575 44499663 10063794 48334300 14274448 8815557 81428592 15538408 5361512 17798010 14638174 29920806 45898823 105342912 14879940 264453562 52411112 71966162 157971546 295773154 148013117 85042556 106851208 11747934 26998821 69808523 378179581 50610159 11341125 599042116 78641751 8045326 5349002 9764340 17625378 18874541 52014233 16436713 14155831 291180529 71395527 1421793863 24793826 85484201 36874162 64596070 75269480 65232651 71825520 N-Alpha-acetyllysine 169916011 24307597 68752141 22981705 29902843 47421849 158499996 117759537 74003874 95619039 69848100 27811742 90041082 32389114 10163306 131024258 42554011 14037328 107733779 42749901 95800940 74321927 58111665 104521101 143627571 360234759 130091177 120089626 29093424 15089084 37420771 80105492 31493293 45626718 44979093 27678113 38583312 201214551 13534369 60034889 39950358 166658949 29341135 53607412 42217740 29540776 89988642 34784388 25390444 55009546 96337520 123137265 43309036 19522687 22073528 39465101 78543025 34653050 37600185 82850075 105342474 42234775 84809587 78841820 15947087 87784585 45650212 80297297 46296691 65249866 15256662 83071078 27595528 47764449 64214299 69571867 35950153 26352411 65267750 85012558 18319508 114526015 44637981 25004770 30154329 77139270 12383509 9283689 26337696 40329929 15440092 44517953 45527172 45202289 45775938 2-Aminophenol sulphate 6554889 16724577 191485110 5721777 24903743 4271942 13910869 63039005 74706259 43173886 6121944 139533697 157329340 21531449 38749479 49452895 4106766 292386912 216929147 26085031 54936671 78049174 1525819 5770238 29581886 5341420 24318513 415792987 226760666 4739996 118537474 7856159 50762070 105350310 38181703 4930040 68491951 234048403 38075278 150087346 35734400 26038450 8058272 42352652 167547814 86163971 358221263 163549946 1577778 172272204 314708042 29945852 397697420 11228070 857397 48319669 3791542 5786013 205876514 683425191 63003740 467332587 805479662 859081714 18076874 469354614 123370570 606580848 439794454 327086011 23128633 2048512048 198866744 250823748 87692361 1849102057 627011852 15243112 370820320 63181257 57924600 616124122 271010838 62593013 67276053 775091373 26390917 105240503 43410772 21869234 44373406 145519689 152710282 141927188 143622218 Pyrocatechol sulfate 182083688 3984922241 4729047766 93975370 1390695516 760086214 3261408052 2935629087 241231782 20040060399 89700103 526439416 1837566862 269194529 405120664 3710518920 151215768 8509767087 1499699244 2283819039 221178515 533931429 35589257 6236430 66473808 19455297 605098461 2037275014 1334863395 61988015 3639246268 264849147 2720344224 4362424468 706272932 153646885 2196093410 2392064907 1682886905 14535177133 1278600242 3637805989 169693153 4653045891 2821317535 627884697 3294804163 1547969536 61459732 5984263927 4668533079 533743579 1821120536 169974021 13194191 285300810 415596351 43164875 1626992888 4462219776 14033480466 5424371708 4549325611 13387610038 310910129 21327262915 2787613876 8890313635 25691299383 2198956487 5646454838 4412301389 4736517449 1251454570 5794089548 8970372398 15726436791 983702262 10930238671 2342493926 7016440782 37124989925 12838127408 9150468959 10810897734 2435211420 2404232390 1163243135 3871651920 588811157 2176751529 3674962355 3765491811 3670786618 3695205851 M2X-RT36MZ189 610926999 268151790 325281778 480447508 101124930 550638686 473311258 201669452 1088299001 507710016 258462915 102506045 736374359 430247259 43689825 722650210 553069155 172240373 566459197 503060772 423279353 250563099 355902064 558591373 826558801 301340558 594924764 780272691 213292734 228032535 331828852 275713682 350054366 432857781 450901135 243464554 431685379 461891326 247435808 627970464 851428171 837970894 534440069 526849929 234602969 343166732 634983885 296182088 253942259 246688223 695798850 234387656 430222869 141288337 288426251 424794008 186914476 222060155 213062590 92123868 626423440 517016936 149539361 342769610 182013164 413900013 477229009 594757028 257028469 668464850 225426674 311939563 266243942 656379087 674125116 265430417 273554060 216167764 667616282 765932517 168396262 641033103 513335402 423234392 304182564 254156271 122822209 269272266 225794528 180591374 244737464 374595847 377685931 372411602 362045072 N-Acetyl-methionine 294134 1278229 2514179 1126986 510126 861155 3482598 1069587 3718093 2245473 761234 1822986 29562 690866 165810 2215837 88057 692479 2200779 1204040 1829928 87009 553945 1383386 3559298 1044846 1374232 1982864 2080152 393832 1133339 707953 1277352 1540763 488866 509029 1406499 2837715 467070 2214453 851606 4651802 471418 1287510 924176 1331501 3801577 1184414 213135 2566893 3807887 1371624 1608564 363633 398825 433571 236288 2573519 391565 138008 1329434 822202 396286 4134626 326355 3074990 2280450 1853705 1676262 3018941 390579 2567015 1210583 2562613 2365561 1193859 1442981 1083083 2962754 3635768 771172 3767434 1808606 846211 1025342 1632792 528360 847562 1407740 539181 356372 1641521 1134971 1219155 1247259 Citric acid 2687937072 963350808 3912119538 3437866397 2658327169 6123108574 7045938346 11908963125 1881534753 4253831641 3106268179 3033962848 6445970789 1319171502 281215622 5754972832 2259430559 2414535579 4367404277 2061636008 9294051218 6299544187 6021374483 2993980227 3615602293 1501335197 5520390579 12931140704 9380838567 873476631 10090542113 3973098457 10378325102 11972451549 675192260 9720811631 8832151416 10045106462 9292371740 6752792134 5095192623 8637641502 7787487463 8115020443 3796136617 5080944951 7386428242 5688546171 7866899586 10850478394 8554566664 11528732355 6081520845 6850509805 3633251838 8241938187 5337033846 11231696893 6364986880 16937138528 15812152368 8227146713 9569403934 4304015634 3450924787 6119286838 4403018607 18971029451 15924961072 2380340841 5752579698 7215430050 9217246527 2922295912 4870927901 6862508004 7018444015 10484143132 15357057100 5912982420 7320528935 16976729056 11565499572 9189652086 9328169325 8635146149 4154131354 6951901422 10289829418 9054345349 6908936607 6555750442 6563835990 6722957132 6561862814 Quinic acid 2182238 25141333 25840049 3353043 9087770 2120688 29115654 26922 18495055 134848207 744831 169016322 140555927 8624112 8256375 15408249 435088 174330359 8925843 17721062 6236830 9951567 995354 1871153 5249836 2507604 9382063 8204682 1400094 4321902 3317126 2000054 3088975 5598465 20493900 1138562 4432923 6809164 3966100 38605138 661971 9961604 1838667 7355450 3088482 338715 8968219 12188458 964275 13902397 8989908 8571251 8792258 1174952 710110 395602 42266487 3487728 13054693 1946926 12350623 115036437 31044434 792468286 2955980 157849371 61368692 7340049 40370118 24484124 33338395 4757828 5941950 13867154 13310708 498674305 600910443 1384032 99004602 115623792 10240200 23956940 27366511 22328224 37436999 26056427 68903586 26291490 11342302 14682705 5478222 44740850 46331587 46781055 45128354 Methyhuppuric acid (1) 3930664 7185194 599830 7633228 24261705 3535506 29170 128508 14886659 5928257 10411313 43340 36608604 8461976 1534369 14662 6254121 8683 18102987 5478769 2625438 15778381 2765045 9356663 90885 6734786 7728090 17378487 121070 3518806 164274403 10758 9098827 8005873 3772488 4362754 6696684 22331537 10079854 8428257 6907566 31912 9516337 6727601 23597846 10158 18008466 22646 1730832 58372856 57992 12660226 18090546 5324020 8322136 5903926 2591912 6112433 6498534 8415645 13131594 41503055 5947917 251275961 16197689 42011776 18686863 35495843 17395006 117586692 4931314 55465487 40713811 26494503 12052299 185670029 226397578 10515685 322673 12846706 11533476 544060 49137280 7210681 9052730 28609449 7258359 10137711 13744618 6607461 2567289 18810186 19334632 19349941 19231512 Methyhuppuric acid (2) 41375 32344200 85197265 748267 33035853 17879834 47919211 1954649 980970 45200929 21638 1679274 3591099 21638 4657624 5432127 2001503 89408828 1183655 10821432 323528 8887516 677145 613371 6029354 553855 10512547 17378487 10058082 171594 7159343 36651839 26358652 13235701 7769925 728454 3612174 5827905 711347 464955801 4757891 24665943 1746739 84257920 17108469 1282578 3738784 5684910 831876 67991691 17012918 9232530 27267570 2004356 8322136 3728642 16860244 8244856 11729743 30283058 380494380 54483010 60439206 323075763 3132309 1263157209 42363364 438284525 610736409 10247850 48800656 18518834 77635 9110627 34066677 261369 101705623 7007280 334948522 27444642 65469626 894302440 751775868 35447937 86604286 26962672 6954505 6944909 11873125 8594619 10062017 46643189 45498986 46058753 44104410 Methyhuppuric acid (3) 232604 74173 5843916 57012 16907 224312 29226 965385 629438 357880 2726490 1284353 987967 370318 2243537 2830513 1066018 1484785 6282 273482 4274021 392712 129925 602622 138876 765005 14375 3041252 233421 2511567 1076380 1456595 565147 1110153 316279 641664 569357 878276 777121 148289 867726 1324169 1331788 1307649 354596 1284619 602485 1529925 2254578 334932 1228292 183977 873883 228276 6282 175243 125620 677593 511293 407249 1609111 509666 6282 1597504 137759 13476 341263 26168232 1110982 738289 512523 1669434 994525 6282 514351 3795252 999535 637137 2695177 1094926 992348 13872 1080930 427519 6282 2013154 478214 16016748 548734 397041 169136 651294 702118 700233 658222 Glucuronic acid 46588007 55408901 92336545 67630922 62045295 79291707 83207274 57465503 58718811 82058092 92239430 152316017 63185822 36987855 83622705 261648327 139019254 78048664 106134526 106095593 73039689 40263512 110137899 70568723 64691472 180063719 362966931 47275093 177450854 92562913 26419931 275936771 44938831 30394701 102549367 22824407 32392818 27679481 16353160 42091280 56804871 50838842 36142225 36452395 32718856 25066311 53933010 28268801 95704826 44900584 44548921 47469981 34326642 151350401 54036784 30939058 89984438 103607925 22094232 43972364 29103499 31670917 37941395 123557274 20826894 53147731 47905078 41721074 30375889 57855607 27570471 90378531 165635307 48677748 40868884 106154568 44973555 17365367 31188422 49366892 31236569 53658396 38008698 17803459 23808887 60249932 26498053 49052797 41140116 35144529 35996329 83752418 85065958 84824768 83951647 2-Aminohippuric acid 139246291 90703965 137421379 122312934 37939198 105126521 184789327 42888495 157574673 423796789 181056527 163808942 198428025 90956475 58277425 731176731 101031812 157196334 295034882 227720418 366473686 119416460 86837496 153616550 911583782 177729305 132625296 334641892 323394007 136825343 159635391 173170009 241865563 275033777 117486698 98841536 234273546 341818892 82283011 116728196 200843923 365751210 77973676 190324676 126559670 98202878 327095494 114608652 50591904 208823012 340632032 59902627 245525630 127857551 77033851 81125192 52876393 122682766 83269871 175519901 373940870 164909472 22380552 380649753 46585869 335172654 155315086 457408812 334699332 304806155 56219386 533810317 195583957 237946953 252700007 274555483 216417286 124099522 401044679 279902141 92483610 443815774 247941657 95872005 130525222 284277878 49460774 82702220 239993083 100864311 62980334 170259961 165952083 165572201 163792761 Gluconic acid 497349221 417353983 475264921 350853531 383065692 186414167 665594034 460384750 369870056 378769263 3118397235 297163816 815455490 399242697 11671660273 915368750 411086941 453842562 403236552 429191226 1870930946 293471165 559055338 497638233 522373516 1247469287 1681891559 497496309 421616402 301462442 354742886 913087746 523089551 365520334 830846317 210075696 352458798 502145405 174958976 288846675 167573618 431286625 315502094 387393120 343829005 215770471 344659572 206282538 207557987 297356026 503637573 337666866 342195896 187249786 164517560 404759930 679728193 270031391 258771911 252245845 175575449 309408047 192010874 705740211 302961736 500073481 272116107 275075007 277087041 552105463 177484277 461227151 267701318 376971345 737708318 480787075 281849134 537967090 279766320 785014831 372119604 554229685 270064355 216210763 225276672 476354896 169824854 407080486 281191866 524736718 191233945 559913504 573329903 594642085 556539576 1,3-Dimethyluric acid 1799119 2168481 14823 26917615 1112407372 1994906 22597317 49410141 727815 533661 48738038 960722982 216351899 93538128 52173113 5933470 3255793 657981340 869413340 1382280 11655398 8393596 5463909 2041019 544088088 3453528 106151706 1590457 1401025 95321170 454483336 9547830 85573135 811704 525975812 22329714 586087438 276648990 11750685 14823 452483016 1206030 756420 143964196 16263490 972877 2698569309 741187592 2350079 354023811 2064798313 54476161 260706500 1832493 1693589 3037838 5497303 251122127 849428177 45144989 2675591195 1053456473 2077984765 1952507284 892139 628899106 624255772 1941195080 10521611 1116583848 307502894 1484791 145886749 326550768 974183723 1615224167 4194478635 387593808 1578220510 1620501724 168716654 972366712 1413101194 476250 1036101 481160872 14823 3158590 144777721 1937655 95249154 467204540 445676987 432827257 402993419 M2X-RT72MZ195 889953 629942 113555 605343 8246942 37064 119745 2808357 140165 93353 122988 34772 264758 813885 330407 349252 435487 85766 7835 15635 5187352 208782 79860 18733 5407867 345469 571347 105184 119438 33815 1779023 931412 20559 42734 2810813 9004 892066 108139 26817 1555275 852144 665785 1620734 19228 307993 703447 214018 835535 364795 58936 155142 337548 60335 263548 502656 515549 49091 359184 920444 355185 2211818 864252 39142 65717180 43846 254877534 47360 48550 136182 2381757 2138277 28716 84271 95420 1576428 217833438 2031447 44762 3258852 48377 751299 8034056 8151756 64812 37206 497006 2659 40674 1673607 53186 21445 58105 57715 65873 54672 Vanillylmandelic acid 160666522 52926535 170369049 58551780 47446497 30814391 147537048 161805307 130159363 131467643 62889689 64610397 157670419 80139974 18273715 158712732 85280903 150357801 110941031 226975956 210574096 100317943 58850395 90052544 141009264 145588351 463648677 94637390 96084112 38617535 87594808 73200159 151898870 117198456 91853694 36274609 83785696 155564310 49512327 85230815 137610176 171408482 58451547 95949467 60286608 62239528 99739175 102057892 34155942 92655985 115675635 143692547 67418970 47729456 28805993 86982878 107072954 58532267 79992363 80168829 99618378 97071756 83932859 218545984 32632952 124759821 83373960 171182751 129597270 94135984 59137110 185149506 50133912 94746005 131172103 111148653 93374949 94258776 105931973 195743083 50969440 254814180 125728137 57859976 58398526 84382651 35090440 102438866 73460565 77939991 49553487 91361710 92023745 91234949 88756458 5-Acetylamino-6-amino-3-methyluracil 229747 153566 1231492 11587272 572018102 1195035 134114 523142 62788 61420 476338 834841190 253163927 52604291 32265605 587156 248094 896855380 425341856 8462702 100791 15522545 61835 412853 237102343 181695 74610210 20333097 164605 184725334 401749585 3143876 78817407 403128 502768544 11244201 479275407 70951189 8164856 460579 101857416 157259 1405376 106884181 5527703 92683 1651217330 322078419 737969 167263666 1102729843 13801176 117709035 403797 3470601 71402 307975 86703248 572917494 22142003 1616987333 801585919 1397603662 2322768952 705204 374737656 249679085 1649905705 17637453 648005225 185825437 18552484 130399175 110506768 365147975 1394960754 2349395815 188716086 424821948 1593469742 18545612 459876019 797800392 394487 265215 385865585 1891534 4054934 63780424 22025 93696812 246242222 243900800 255305682 245088237 M2X-RT54MZ197 430062 464529 1395070 146543 252910740 896124 137952 62629 357430 251670 242144 157868334 48097520 34175449 23612577 140029 116038 277103913 213144104 4121713 155870 1971927 348608 535559 34555176 1256432 44125384 4853474 228951 44388449 85207030 698459 50875727 666611 91257877 5916176 119200478 29512484 3698116 1483348 40741473 719627 623347 77395887 5215178 407386 451450491 182470002 622228 94781510 282481012 31826 45988605 285849 4194947 29605 534297 27223875 134246132 7016521 729307 124724549 486807263 592511074 492781 84549939 153135424 431614335 20503904 139416979 63032462 3493214 35708526 155626 103224379 252376499 432926215 78237883 63904448 778353177 20169882 86412438 188774178 738334 723516 65941310 960806 2824746 27555500 270963 48191994 70533895 65442998 72418501 62051578 4-ethylphenyl sulfate 419217 4552836 13670648 1057385 723418 465496 6552742 4399761 23408566 8781369 850687 21949363 53666522 10004140 715169 4501074 696218 5943454 63129737 5290784 1109241 42033635 267964 4056668 1901495 1669578 4940300 13976345 2635760 504924 13501039 1196702 1524336 5578966 422029 40247 305133 2398481 38994 7325838 60380 4090988 479667 412968 1452596 609871 21452526 584503 770142 25939544 16049939 3620373 10472502 62086 171800 88600 112314 1366098 460333 856264 6231857 612929 740453 145524915 503619 102516663 68266650 128702434 8054046 65617228 2177491 27906896 81777454 17291780 2105073 39510049 3462420 1950933 1679220 6344066 961035 20495550 1076695 1703164 2152636 48208477 1609070 2545707 3402395 24922 553136 15361965 13770167 15470144 13649974 Sebacic acid(FFA(10:0-DC) 15088903 9255378 74209680 30085705 25767925 197970285 70672263 42673380 41558713 121170847 31572761 10987605 51937775 143689716 9600041 57446580 1693593 228705786 60405349 16334854 33166528 41146650 13700469 25115374 72366063 17232940 24890416 65073766 22417704 14388673 101986842 6111543 26102014 43370528 13582527 10168414 50600170 64418949 6841031 27937804 20548508 75131249 18929411 32932461 24391152 22584429 120819912 21920415 24367825 44475865 107956507 27418569 55804796 33335275 4673279 8476272 17342727 42172418 11482984 39018006 53745237 51166300 18300833 88589364 9511788 118801097 364592021 580733254 59518736 24202207 12255758 149376149 130382849 31641869 39425639 118451944 65876304 17487825 88139542 30684486 6480374 55135821 29021164 11913913 18429939 489823446 6733062 49077878 17602443 24072720 13362038 53849165 54364731 52821547 55142903 O-Methoxycatechol-O-sulphate 15353 477118 1602175426 825353 89533 9039 1703510 934043 50073 44016 19386 1804460 137065 176577 1566989 85668 18702659 6031425 6407270 14525059 351761579 785127 9039 9218 1438718 11412169 5553758 202834630 182743233 1429540 5914993 90385519 11803398 9352569 1859722 643211 2341509 925249 2443951 50830 4720754 60350304 573405 2350312 37847 1327166 1340522 1491854 9039 602463 4249555 2398287 3500335 609018 9039 774685 326510 368668 3285944 4398763 3218714 993877 15667 1917884 431841 38738610 4824728 23873624 13399228 4378998 1701393 4212473 4174403 3197823 1794174 1524473191 3646244 3331204 640209540 908592 2816872 141574 11867084 12815422 6404066 2479871 3580906 9039 1405653 2034303 913884 14117478 14324359 13263764 13796131 4-Methylcatechol 1-sulfate 183751257 130733075 1914122879 363964147 570818024 140871266 1929930106 951406216 48239864 1415933 339539511 2104682111 1056764788 32033988 318504163 4122214526 16747089 1001579560 491214852 1311148894 5382912407 247520655 287548370 80336302 895794015 191058810 554239127 2519241676 1839767452 85702389 1655919832 673943594 383418810 561109088 1070460194 376281827 729281074 327140731 439453601 571389628 1073574943 6592731738 807142285 375772292 239907020 717805099 238389290 1002426310 34519571 373358018 598733096 310317393 1044797451 241107431 5879767 342870254 329934030 177237575 225784972 1168032770 777861137 9911 12859 525506183 196137487 2665670404 353470276 1439455998 1156304799 439146468 293509917 634771838 611643032 237864874 331958588 2604578253 369073035 877791172 1994745026 597218721 621392529 3080323745 1833591533 496517149 327308231 348746281 789367990 173636357 7328752 571429026 317747022 825496876 810432829 803646162 831031879 gamma-Glu-Gly 9215183 2080114 10104061 3790382 2385828 2912493 4094589 4394304 4865166 3905974 2660054 4482827 6009832 2171455 943453 17267327 2237513 5742160 5432190 5506682 13051955 7209933 4335643 3455097 8892329 19533386 13458955 4573087 4381841 1646540 4399798 5242819 3230207 4004860 3282337 3047941 3591580 11104218 1004790 4132801 1836401 3764690 1323242 3924364 3055367 1617874 4067682 3584051 2063691 5425374 4872038 5274671 3528843 799638 1064394 3705142 7842172 7666178 3812489 3410097 1759664 2921001 2718303 9760727 3124036 6330133 3027275 4277839 2277422 3776292 1327299 6028254 3934499 3357213 4289065 3650950 2892772 1542621 4237433 7482145 2066341 4299916 2354891 2047375 2293792 7817353 1148600 2910256 2861011 2369979 959835 3441687 3335980 3353231 3600698 Panthenol 15971 42827467 4455 243089 71012787 292911847 1702549 160267 306224 202353 60025615 101907 26365 339818842 51940938 146081 438541078 9291 69769379 29750536 134730 1034549304 504441310 194209686 255343 2725766409 57966225 166571 62131 2692984 5651928 231659917 7751769 422691 21242465 44103100 6825 59793 786143 174828 9653113 7629 6258165 6482 591409 66204 4455 808157 10249991 152768 212600 162324158 4455 6801 4455 443301973 41393 34053 711795 64106 4455 4946435 2633675 189322 526232 124644 13962 105366 4455 4455 36561 193564 1210234 12587 537344 256859 44033 8524 4455 746772 1146951 55530 9042 38998 63612 417850 65017 1269441 348781 86679 39471 82402439 81388711 79265626 81462687 Pyrogallol-1-O-sulphate 13921008 24245025 56455289 15202274 31386827 28157088 11350946 38994855 15020038 29682598 26452911 25688655 16205777 23085395 58513764 22856139 19230151 43605574 8144135 21611424 9379953 10480432 13163576 11357493 194623 43023 97341589 32297343 42075667 25858665 39864024 109330 25937059 24511883 2923123 19494541 32221154 24157690 32944640 27321080 20013502 17764620 19846849 17173862 42653120 36392470 29555540 24589486 23625313 34209524 24404644 27826845 31177574 24506290 20430621 32471297 7849625 44142084 25708285 44417546 27886601 77157957 21089911 187226569 19967195 69145 12288365 25978138 22841983 10148834 30310095 121862160 22448159 44692006 5986683 100596798 87923562 17838687 28925743 8054587 23465484 2751070 55775377 13083464 30260093 70068208 33485275 27107284 150847668 19468418 29068658 31533670 38335864 37864198 31011314 2-Methylcitric acid 119521116 84540659 196505229 122917329 70191222 122941307 132576811 87794386 209530858 112490059 143469869 114885917 160840810 144547842 43421294 309295066 124831099 105070542 154229185 161684653 112558953 121600425 90280152 129034283 130799608 216047142 66145456 139567731 116379760 104085365 95238387 92150535 108211343 110573967 82529371 74295145 121764310 213788987 51252372 107172660 126814317 144581804 63334449 117109732 112985123 77965633 161839357 164313894 62276805 138454589 173442367 94726156 133213417 55541563 81415270 74984175 69831472 57016170 55106563 118507432 129849596 68804126 57042467 147135107 46376249 148712229 98672004 112678745 96218069 158477712 59942782 202781807 156179979 128912660 112615553 88436211 124904608 93394758 110244792 204711915 65310970 138544324 93254540 72254106 86156352 151553386 56619485 106812138 118023953 70339738 38717768 106953903 110546361 114286142 110061575 2,4-Di-tert-butylphenol 176509119 304967576 332789080 257796073 286910055 307578676 357543676 357269136 307524974 308905549 296115644 384623766 284372162 367206793 288952920 437369216 321498239 394337990 291255991 314945404 300696974 374746872 268575031 375181857 295021742 279065171 374768615 364083320 383124243 295828926 336775205 285146829 322677485 271032678 267491857 273528232 363630098 334223390 397270740 317070639 318197209 381758144 311586582 343420902 276576550 375339857 374074775 289852315 372511680 295618553 395979906 248756104 371266452 366518892 267082547 334395004 271937236 303348443 252790488 372833868 281047736 364972345 198294452 309982704 371262783 319306149 309116014 302877004 416877670 314068000 249664617 289418357 274076960 240340034 192004681 351280263 368633279 272000695 354622952 275557735 301094179 344230133 282675761 238217080 300682403 179988103 396156229 361831896 479468270 385273672 451139098 364317824 347674040 353441080 360927337 4-(2-Aminophenyl)-2,4-dioxobutanoic acid 1932505 2538689 292236965 3287162 7168911 3425257 12708946 24185130 4922799 7741504 6895002 3588352 24119 1817077 989020 17017988 3853824 7180158 5942232 22538861 9566836 1801 3052459 1937302 22564632 8229063 38336346 11089903 8332475 3979625 98132850 584203 15737138 10044225 5333852 1658718 5697347 451620612 4043944 17657448 132561287 49682706 7767106 32682900 5185838 8312233 317554276 19448561 1157114 6834942 215560603 21505737 77399678 23594785 1027538 5450449 2413224 5936634 4532134 27440434 99131765 6441221 2886165 14044546 3577053 10806661 7959828 33862494 368442549 5877213 3643997 44775937 11869729 5315972 9654569 16022789 8868728 3274281 50516860 7335600 198744194 162988614 9041298 2768378 14415984 102876645 3083960 5259268 33862411 3277796 5431952 25075505 24926972 25832202 24709930 M2X-RT168MZ206 11664420 2900344 171983044 8741470 31936855 30933329 26283308 17887509 13875627 14461682 62955937 95772551 11144165 8695391 14928171 166898213 20983845 39578854 16898466 8298707 68784378 9664122 177205854 5929553 20534715 24742590 45893883 11645323 46957439 13391619 13100987 81558240 17383771 13166923 54108940 5954051 7722775 20408649 3639009 14732835 20586189 17335233 8460174 17960246 38057386 6620179 9955482 18126930 17991505 20939507 12617331 26758670 12469074 10594691 3919991 14252145 63946838 44695177 5245182 15611221 22871894 14268951 13812938 33554597 6920753 18115722 6547592 53869291 32601434 6235356 3611371 69651592 11648444 8047819 6884391 28976640 13416120 8588548 25814889 12527560 11268615 47997609 8502141 4076849 7609092 9856803 6830505 7834699 16989626 23257201 2474636 20208894 19245229 19955682 19118912 M2X-RT82MZ208 197490 295887 112859832 927023 461362 685634 1671555 73657 448375 5043190 1844745 2283882 5847475 171450 365752 2370764 714230 4168369 1331788 16803 2619545 451353 347655 247167 1488356 1233050 438200 3163088 2129076 720671 3627255 1207966 2684358 26681995 905502 14378 1395985 4496793 74979 2121528 726111 1324753 41495 1139787 3381663 67379 6213195 1783680 264506 2807112 4598344 343559 9583215 5523 120534 159362 786451 1970615 14695808 2688787 249379 5637340 3147748 5832702 395217 114861382 2883597 5934028 45705553 2102994 1162901 12186921 1861300 245092 11845878 27217061 612310 111344 2840093 3084665 2573878 95007201 58990514 2850896 1817744 11693773 1303010 33514 1510940 687438 1260563 3019466 3082052 2996732 3009515 Glucaric acid 9200982 7284004 30516034 9986479 4412665 9235902 20627871 15638700 20797936 44138407 6281680 14412794 28359366 21987020 3763300 27697616 65327842 24083058 20028346 12120613 8067120 37430894 23047937 64288292 36459624 70701771 3332138 20989750 8493230 25856953 18057544 39131196 35133442 14079421 15603267 19238738 19491998 20489744 14775918 14927704 11942229 18007886 12243819 12203357 16753584 10335877 62569639 14170857 17546797 32722828 48470198 23437863 24946524 22642747 25435521 15982237 28600226 21221690 6305582 25147308 22611183 12557737 23043774 9429678 3332138 34085734 7272208 23994413 22096021 11134368 16520271 28627339 21993903 19883142 11752239 30271991 6352276 12159098 11187681 19971531 9214824 27088715 16504375 6517218 14630456 14228403 15998814 18868690 24887072 14946405 15743587 20981771 20837287 21663195 21216934 Vanilpyruvic acid 2212218 5584264 10265671 15962767 7874010 2952251 17569025 12627167 5984752 19390008 2877936 9691413 25058354 2670134 715334 31653115 1943619 10814848 25773263 20839019 29082742 3745754 2822467 6948990 2158518 3846857 14792524 22081833 21252719 3951572 8853505 10360667 15680286 13925801 4756828 2634483 10105656 31643288 4271889 22488660 11789157 29514874 5471244 12755250 5462699 6610688 38717376 11713139 2168220 27417106 27871778 20335273 9947835 1875442 3653607 2974514 4910120 11025855 9217260 15229819 19046019 9807777 8968581 25809033 2047392 22084625 24200886 60169023 21025720 17448076 3580398 58774755 6483555 15155019 31172533 13634383 24818000 11532198 28213176 29422587 5520641 283597 14333315 12887983 12244722 17762357 2838097 8875473 14259138 3309741 5149538 13256591 12897929 13976355 12547777 Nicotinamide ribotide 1963827 836388 5093910 2022371 1048494 1113569 2017809 953624 2444211 2910520 1651342 1848177 4294025 983846 494882 10132963 3274945 2409700 3408450 2382951 3052761 698417 1547903 2307792 5936022 5048392 10583842 3394184 2877108 931552 501494 5623564 2304108 794124 7202109 1152923 2050784 2453916 159608 1589039 1594824 1826632 1253217 1679842 1077886 824272 10647681 1819387 721663 1859048 7886516 1001145 1618151 1063831 1002760 1601231 2306749 10791780 782888 1113936 943518 906129 517345 5164740 1591573 2524510 1812061 1462313 581170 3068080 951817 2255322 1635218 2016880 1353471 2553886 3605226 344746 1538115 4041319 974191 3204839 824639 691295 625694 2054002 423421 1495342 847802 1320074 779375 2262164 2279847 2098682 2234478 Vanillactic acid 13731855 48442 50416599 15347007 1418663 9570917 27546398 88245094 23106655 63642357 10499251 19524307 10393168 4990676 26704591 105848686 51855 68967181 18593944 38430094 3737627 17375310 4931419 14862305 19764493 22547364 22501424 15096088 10029985 12853907 10696100 367263 16407130 13782150 69648996 3209681 16290651 16475318 13585014 68144830 10026085 37021178 6123035 19487955 5969824 8751965 26073082 30140849 9277244 23590472 20996773 28769513 28435556 4911513 2584600 5617570 15230565 9964269 8497806 12272291 32583560 13966879 60071246 142549999 2210580 293032316 52131143 51087865 147575852 16090145 9926418 43567611 9604045 17136299 73456029 87251701 45411644 8849169 32299958 27597527 18376437 112785823 44646268 41862575 14992028 47166418 7272271 11231324 40718450 2789933 2882192 23320490 22096163 24101038 18441868 3-indoxyl sulfate 4584430572 1684972645 31789749278 5307541918 3496428220 24238108401 18679610937 11348777009 5879431822 10386859243 7680315084 18125350170 16204301022 8620123919 2330324686 47250069894 12742925883 18280196975 5169218573 10612136217 31370354783 7418804079 5848959193 4901834994 14254547255 2536449985 12202910206 37435251787 23541609428 5218974445 13048977312 12279549774 8448832935 16330834274 8246880091 4725547296 7445020995 14467636628 7985744326 8740965482 14595117772 17605411918 15471285216 8328911252 13037068041 20015990300 18630006388 19169872299 976898784 5995529126 18056444677 7209486798 12425223972 8238574835 1522687460 8385417473 1269830162 4974389210 4019740083 8375197069 17332762936 4480935078 4078028465 14286723017 3467750210 10938766785 11537630662 18617264076 14586799486 6501899593 4727782608 15635139296 16315077434 4590350020 2986065571 15372039239 8752908331 9557452635 34853488962 15369013950 14157888573 21489460884 7120472980 7259657291 8445415477 20528790738 5532013929 996395513 10124111871 6680772373 1284905605 11078052285 10920785533 10639913746 10754540182 Deoxyribose 5-phosphate 23852836 16730248 13845554 20650844 12509108 9625194 47319831 12152540 32483569 19637361 42735415 10660176 35071745 16550343 43705436 23711146 7251308 4457080 49653628 24154168 37024834 21684137 12658913 35172064 36543782 7036835 9297242 43794995 9125706 10458551 12626702 471601 12757200 27074493 3023857 8642756 11178291 56124395 6218595 25661197 22694709 31910289 21826893 37252882 8929887 11589624 34395893 12287937 792857 18575751 37256112 22407123 19206787 1282146 13394825 8447920 9038303 7971164 8082950 2057176 25587703 12889989 21852563 14652463 4669624 17455598 23407123 21538150 10944986 37452456 4975597 19277941 2417743 26177955 52072036 11478066 15977982 31818721 47988784 41297842 14620454 16172773 22438460 23184333 10126694 16400548 3257831 14897632 8192144 5610130 1059468 11984332 11994888 12083040 12287020 4-Acetylphenol sulfate isomer 80398754 14883644 58753837 7062545 11011987 65015346 30796429 47556966 11885326 27455082 3125289 57928713 28770505 4732701 15668637 125128264 3575632 42309982 6518858 32916618 27868408 399789317 10527708 16142374 97164477 2379087 13798290 29659129 26695863 3728954 297157485 7378425 259225384 11360334 21133112 8124927 7641109 354731930 106870016 13761483 12878717 80729773 2333511 39728683 19144576 11005811 31008853 16797464 13136942 27697461 145270990 10713535 26566183 12129481 787880 45229580 1938800 6783998 11724833 64506823 29738494 420612661 94999061 81106440 2175768 235604842 31241581 32807332 51576818 26241129 6105373 318864750 33274965 22369828 16844527 243221538 144587510 79874091 61190139 69888574 12022551 288522728 157569617 9119539 29646325 721215331 22693455 290224549 188901162 678504360 21202470 105573162 100798032 100938592 94691135 4-Acetylphenol sulfate 28154 59383 685668 11622 56632 242148 54938 984832 1244579 433453 23462 359760 869932 62325 4054 531670 58546 479110 87372 20566 1628785 33957 40973 55908 4054 6111 20564 645984 508872 303778 1743595 420451 120472 373103 13798 8022 680840 1713978 109016 4568716 79188 208833 24777 637577 910436 323587 1239281 752009 276373 4042766 924498 26715 210973 191090 15350 165164 4054 9067 24889 266940 207649 1949906 9367 314882 31917 175035 449345 135089 216114 580718 217248 709406 2290132 178820 35121 450087 292864 61392 323770 375570 71017 6150576 1278819 69143 79029 677855 28455 111614 336652 60252 599259 412361 378587 374404 376625 Tyramine-O-sulfate 6951270 6521443 285011916 156504735 5835564 68118242 56410032 122289199 40163522 155225659 2717033895 33230583 36296853 2203822 3456835 383694021 258243055 65543978 4955202 4966591 29602073 122827610 4330908 129370682 77697575 23267916 6552624 184622555 42026362 15520708 33407364 18356299 9523916 25750393 5586111 60435867 6105798 68985448 9791458 58863965 4013489 15204299 4131584 15204883 151878199 121915654 273197946 39968680 71039522 78398082 180030012 157335898 229653562 68548295 26957255 3798686 247343090 145010410 25056756 19174185 28420054 11920135 391061975 35386443 4109389 551559249 36197415 306399869 41739825 13006579 8178311 483778273 261805555 25274000 67379651 19079029 30671863 9677065 30777126 37921687 32384735 131286969 30719455 46675275 22051008 121034340 14877386 9578173 16394316 12619094 13713582 80710731 79633953 78726198 76795887 M2X-RT35MZ217 46742528 16616419 544828347 80677169 132008906 25555116 45233785 138966956 14726167 15274978 12356830 363648349 72946457 3640935 351216597 257264538 8104888 877548881 15332889 422609783 48101824 7732629 23189158 10991994 41233411 16994121 89980659 121331221 243868869 83142046 99039987 299036199 46006039 19487473 1915291071 139700299 54217133 6655028 38619557 16441446 66489593 28876566 178997945 45474544 17818531 299836896 16643715 164214741 3717826 24286882 38140965 4304371 25160197 48695926 2289438 18697261 32645294 843760 39565034 251671469 38641882 26441767 10715639 42660971 61804121 91384609 30474249 42518384 35094919 17899169 47311608 31044205 45900940 21940545 23094310 65134373 29000073 13763837 93151729 92198102 260074833 34111946 124047117 17154515 21931817 20479664 68207461 51374739 18217517 104707635 29771892 83244298 81648625 88836708 83671945 M2X-RT214MZ217 30471 239638 37884 47087 969533 8201 3333 144339 829977 252005 22567 20798 6512717 335920 141387 1768816 3333 1427336 4535190 235922 94311 1529046 6303 34292 53616660 3333 14763 236994 118000939 12067 1290004 38414 4132604 477047 139706 62544 167201 428343 475824 1001132 1924233 147193 447871 1053929 705258 80572 3902683 24304 3333 1165890 6243103 459330 523477 61798 3333 20606 3333 9164 52207 1463274 2679813 397409 825049 28757754 456490 7418586 6002038 10804667 3687552 5250387 673804 902353 4058798 2956144 656116 572758 3316104 968045 1278538 1649398 273524 391617 7731968 137557 1125423 2781717 126043 51817 47510 159225 152764 1705900 1555199 1540224 1442793 M2X-RT250MZ217 101371 4139 764700 13201 416054 4404 212462 32088 400463 364732 15075 2426165 6309480 670516 4091 509816 2778 1187961 25750507 597003 42880 890776 2778 21840 746379 2778 283293 7935 11505 4609 1654965 13284 495511 68681 22164 5397 60880 58109 195481 295252 35571 591632 70621 41030 4749 9859 514437 11016 3841 63678 397260 10191 119638 3968 5029 14444 2778 8491 82696 340165 723452 500124 1937005 10618212 2778 6449644 2579124 4867920 1327543 4897574 107561 524744 5251738 2450850 15298 11110201 1241990 24307 226522 424222 10602 468821 413652 10802 7042 4386202 801477 537000 66358 10730 3003 1776388 1892129 1660007 1745971 Methylpyrogallol sulfate 90685 18620 9012 624289 117507 13830 57354 131474 334199 1172333 5976 8531 75496 838441 16029 29601977 1083303 59472 213481 44464 416686 37305 119950 583444 2821 918093 15397 17054 40278 21570 31393 15813 6597475 50098 40206 2066499 57212 86397 4489 43599 18818 60330 4047 8134 5145 4822 34012 25598 239474 20226 56047 15806 21597 624725 8044 5836 16347 30360 25000 95040 11390 9594 39572 527432 1620471 31640 189603 47623 27124 48454 19808 211314 50989 56354 69740 42416 87950 20099 51191 9808 4134 191848 19395 46609 10329 346910 2821 7586 50290 9726 3555 76789 70677 47749 49941 5alpha-Androstan-3beta,17alpha-diol disulfate 4929334 4618246 16304903 1600003 199431 3105594 12150201 1418097 56367217 1579396 4889545 11264064 5620012 8867776 2659509 4434634 9525474 1126510 1515252 3258017 1866218 4098064 118945 39636135 114981442 6456277 248051 6954175 1364098 750053 3828254 4525371 5291134 2044344 4426771 580895 10931435 4456252 152562 3696556 584101 64376399 2682189 4725845 1909224 2884620 35257021 1820696 380409 4963986 23759598 6913668 13137604 217060 5625324 563273 3737294 1283556 186396 2426595 11938895 777027 3567030 6794332 685812 9635659 3534275 3219977 637169 21212070 283341 23891552 3885859 4417978 20114023 2084033 2085429 559166 25485592 653302 1928569 1499900 15573168 420673 1620962 8733345 1075817 4272894 1894532 604146 430654 6285166 6100895 6005997 6012935 5alpha-Androstan-3alpha,17alpha-diol disulfate 2079574 2796011 5623507 1240029 97725 1352788 3826876 370564 2473058 655255 3165679 29792305 1430778 2672346 3002288 2703056 3710655 297150 1033620 1743435 414590 1280961 79753 8094585 41380224 1485134 106343 2004045 3771832 483431 11899171 2149674 2906283 1247640 1280711 356059 1271899 2062299 125117 507808 272286 3356882 1127355 1530493 1436719 531255 14033465 2223438 220709 646756 10214681 1441522 2317702 56021 3021850 191224 938474 780109 14896 1003550 7380315 366140 259336 2381180 171043 1392046 740233 1891828 1004043 3108001 201863 2924530 361971 1270722 4999422 819866 4821553 208141 6286921 411095 1258724 3455020 6342031 194599 641434 2215651 202462 776032 385853 492029 494351 2461823 2430276 1292395 2419501 Deoxyuridine 2171591 2262325 1716580 4524369 1273434 5433046 7724614 597475 4145667 6778110 1804329 2193676 2153215 6890152 1045630 5393033 3880820 1151787 9410084 5720917 4388045 176193 3313770 4637342 6076733 6500898 2958012 1301738 2410996 3814672 642810 422982 1212493 581008 1826484 848516 3217735 2984812 45141 1442477 3579521 4323787 1658613 962812 1145703 661059 2581139 1228495 917271 1095311 1990715 2033768 1646097 1166265 1786980 1055440 5082749 913684 78153 452964 89308 691062 996548 3768982 335216 2442174 1015210 386045 172411 3344628 370709 1544572 674154 2564741 1563744 1826313 1349541 461738 324769 2167742 468343 1787962 787481 158539 480607 1279078 282132 1174434 1026419 251823 69848 2016778 2276768 2162693 2173085 Ribose 5-phosphate 2544492 3612891 6299021 4251982 1871557 3503278 7396671 8183904 8130015 14539309 1614289 5041878 9489166 4338262 3246433 11541708 7041053 3564885 7234324 3885246 9605840 6632743 5762656 11196275 4674681 5857677 7752825 7342060 6115373 2205900 4326022 4285177 6526597 4514202 1168499 2529009 5496956 8481845 1241747 7205932 7190235 7380233 4241508 4881192 2462978 2949092 5227686 2835005 3998304 7599143 5738201 7217127 5296078 5878585 2803550 4846281 6419438 11219535 1406270 3613995 8292983 3073567 3241453 10165792 2200746 8329529 2929147 3984486 5811104 7701788 1492721 9282938 5344622 6543358 4602315 9018673 4393474 3393871 6383705 5322919 1639737 9886175 5519813 2494371 6113917 6450346 2269409 3909001 6789979 2798927 1771678 5652760 5231955 5956989 5025397 Thymol Sulfate 4596 2516 96615 9397 6954 5493 22120 2516 284662 22569 13932 128539 1269834 193102 4778 24096 4465 20451 1436156 30944 17941 1368683 2516 46999 157171 23130 6988 194679 12895 15687 231862 2516 5147 17325 2516 19990 2516 12176 8241 32064 2516 2516 44847 4575 4722 2516 74721 18946 4981 263482 63191 2516 108345 2516 4313 13754 2516 2516 3956 2516 15237 3076 7912 828081 8298 2381613 568589 9282 27231 2541122 14249 49710 817348 721554 35414 333079 4441 88832 9915 5242 7258 28093 5964 12407 27556 407926 11987 6189 4735 20359 2516 151630 163368 123737 110358 Dodecanedioic acid(FFA(12:0-DC) 1076354 276020 10059972 452870 296777 341472 232072 551230 432743 906821 177647 418457 966604 209929 490598 2022984 451786 495330 1161888 1090338 274183 1160846 455517 1070897 4180026 684553 395242 2370739 56208 474271 1626582 126427 1572153 1101121 432580 579054 120453 1312873 813429 595137 2373586 1313028 1126636 3290536 910694 576176 3424103 2419985 420278 829797 2876816 1684685 1482314 1156040 392544 845207 548072 682849 518937 1818591 2066125 847182 625747 1814957 222932 1860276 733812 2541184 1103525 1069795 150438 582633 2431724 506430 938072 2422527 982703 296526 7675285 1465274 3480793 19039374 1036603 509482 564462 807857 104935 669584 718681 199748 332285 986611 1118362 997854 1364397 Dopamine 3-O-sulfate 52059658 54615244 95554080 19980996 39537389099 4004168933 137253237 121722018 107395262 399762711 8954173335 31167154885 69494825 18816778555 13306063 27634210260 61896089076 82264781 1980636721 38562062 37725461157 67243853 16712661 48799937 70275500 38419317 4238164230 126347830 47960657563 17195205 132721170 62328887226 83133359 107673245 988396409 44182987 74254745 207631725 33582470 202838506 35569557 154887046 33538866 87743884 364921286 106967822 96314035 146702979 19573658 212802545 90932804 220141795 112906784 22446021 16541586 70158939 39758971 33028849734 178681061 122007322 74722081 133049379 73246276 111026089 39183523 207010200 123320946 203003587 118319350 66154205 41356319 211505138 187285000 80965304 72787640 48370865 104797277 42561637 208606656 67102722 47235666 165823065 74958972 76692729 109048122 196314116 59994832 112340465 69410681 77369222 30287378 10979363181 10652759239 10598245066 10559881429 N-Lactoylphenylalanine 1512172 2097032 24585939 1548695 1588660 1048973 3137007 1689685 2633084 2418840 1174708 3336115 2997928 1753678 407704 3069981 1042319 4760609 2957699 417203 3393281 4063665 642421 1594807 3206494 3137376 1336252 2591668 2375812 1293522 2529123 1282089 13715291 10101780 875253 1008252 2375714 4008219 1094514 3019098 1959896 9746146 885277 2448585 4186049 943221 9836951 2295044 1392884 3500705 10241002 4200034 4759092 1275002 626867 781873 1071508 10556513 2314477 2338305 6703344 2690052 1422578 10898495 716096 14754201 9399532 26503016 2853879 3824126 2571671 10689879 5062518 4696667 2507116 7613395 6488189 1893321 18452882 10082674 914270 5800991 2517652 1026125 2063358 4055334 2255068 3464364 3375756 685551 849170 3453779 3350045 3088105 2736843 5alpha-Pregnan-3beta,20alpha-diol disulfate 13678155 9755224 33607186 7569871 1306381 16519762 10656688 4942608 7627766 21180022 32498059 61481 12186776 6406612 4812791 64377861 34839500 2074860 5948332 8174602 19847713 16956133 13280126 31933582 45635877 46576804 10324875 5519346 26544134 3165842 60876588 35865074 14802043 3677994 5815489 1240527 7247304 289117043 551228 6341223 5965825 35930073 3533064 11615638 3616363 3792150 43988189 4558653 8199362 6846201 62657504 10613841 9977639 5638238 4038076 7384005 13507709 8672491 1124314 296335430 103699236 7258771 4206765 5941665 3153894 11120576 2255221 8733427 2245813 4230946 5621087 4650628 107384773 1625997 3642536 73036522 7181587 1894371 12343125 4219382 1206967 7615654 7880691 476905 1797954 7249226 36615667 53676602 16954953 1317951393 14793020 27715681 26752918 27498815 26921179 Anserine 6084414 1533969 32645994 1333489 3161279 2518578 3135742 3530891 4901549 6475076 2698258 3666783 5480106 6749723 425533 5907607 2644090 18641882 8154928 18909571 7073631 8916240 1732473 6682141 17618249 13782414 25501126 12885420 10692213 3159007 21232211 3454772 3123683 3926191 1970350 1578176 3233473 138966516 927673 4774510 3094169 18989020 844887 3544074 4962826 1730949 15215265 10998406 2661259 5358860 11141165 1485380 5374915 906899 1682005 1671246 7037101 3577815 118959957 112166066 3120004 14710086 9395896 44454289 1037489 4549094 16303154 11967505 5369037 5455414 2370236 15489804 1645466 4788391 10562922 9504459 4461122 2073187 7171461 10685634 5942310 4232344 5831937 5511440 3904672 23533220 554497 3787240 2670762 1161435 9968741 9374905 9269104 8476420 9168070 M2X-RT172MZ240 259221 116077 744459 683567 477417 765345 803421 340643 3731636 1430726 39283 1184432 4063120 517416 170845 833188 433521 1058828 1132087 395486 2959471 949980 21918 435497 569823 601699 389491 531671 1420365 161755 620117 2748014 910636 379769 514715 734030 367171 452615 258963 336386 519709 1088068 158807 13122274 789464 553181 1366761 2147265 357580 10396319 1085437 1985815 732942 226193 69280 194063 33912 405004 826163 2924306 2551386 1956316 641388 3999405 611237 2299668 1498144 1642985 369202 6711116 1244920 1258068 1647625 2407101 798139 3664112 3603847 356946 2237550 350260 1724568 4847904 2030928 475576 613858 2067513 190583 379814 846421 520051 228225 1345464 908488 1317688 790728 Pseudouridine+Uridine 896688579 355510936 997459070 623440550 500971777 489037372 1044924320 1096758754 1020962597 995841896 738344702 616937744 1196839834 467126062 226760942 1219750200 521272552 418946426 1149933060 943283722 1069587993 637409880 468392083 683959403 1317679167 1246104659 1204104885 1180346798 701222873 532490450 451921704 592756581 719229351 755303697 628344361 333953563 810622866 1127611312 266786690 675573492 644784692 1277152879 407548068 757214365 428918022 438154625 1047679550 426054176 308975217 660354742 1013657589 813089919 538361638 299582013 239072717 429385366 777251164 481746225 299639094 341611522 687801284 471248963 615611795 945267661 213832337 847788753 596424526 989634419 519214026 843134948 320427672 893159471 453372381 647410162 880218163 618086436 504223818 55026 890695211 1055480333 357168303 1112868583 633823892 458149407 436096010 630902970 199556030 406119889 407693408 348609063 226371781 572847429 563844432 551975899 550150653 Hexanoylglutamine 1934649 4810422 10056254 3961849 9451306 91586513 14695410 2429176 9148801 6197561 3496098 5456686 7245904 3196242 1387219 5882442 5844107 2081954 7692553 8537105 9939905 6004928 5113953 4610453 17125489 2477841 5172145 6960346 8261236 2310363 6984631 1309038 18597307 9431144 1326267 1699267 2822560 6607236 1410072 10897755 4456895 5698496 2088070 6031923 6279193 1872570 18964759 3303778 1852353 7461065 16028990 12604255 4553202 1670765 3480544 2293030 4482627 4423192 1394022 3168520 9409706 2521360 2662315 13686088 2150877 7405381 13449909 6664902 7723147 6141090 4236248 10189704 7758376 6677992 10185416 32095517 9871329 5413478 33530070 7229458 3719666 22984668 5783234 3706792 10185241 11268049 1265887 2428932 4916949 2074739 1728501 6012299 5617941 6051854 6127091 2-Hydroxymyristic acid(FFA(14:0-OH) 6189 3825 4392 16030 10688 8747 16956 7456 10098 4145 5015 11742 5058 4764 8818 9125 17345 6661 11620 7847 9745 19509 9323 3372 30918 8575 5159 3957 36731 3468 18712 15812 7127 4453 4085 3315 4075 8793 4778 11213 16374 11164 15123 7695 14281 6987 20169 7283 7124 12465 14148 19151 16690 15909 13473 15982 4845 14625 4758 4210 9348 2930 8785 12125 18780 13449 26925 6020 3311 4801 16655 5254 21508 9949 6160 4586 29935 7873 4093 6079 4169 4910 4525 9398 13375 9470 6795 7913 11591 6242 9972 7055 5123 6398 9302 5,6-Dihydrouridine 99497352 29927582 91571871 64417509 45284290 44851036 77297574 48931301 85899967 40125680 94073392 61712563 104058658 39947509 22910428 107672810 39819869 41551615 96315367 74011337 89058354 47491741 39079958 62272718 102324499 101031440 88050755 96946435 57660750 57122052 40173588 57692777 64263967 62817795 90586182 31018439 69049955 86536231 21615481 59995376 54803641 98953792 34689632 64912619 38727955 45325117 88482719 44228027 25644991 52301435 80406872 34960940 43691498 27117008 20392141 33601088 74477204 35066884 31921168 39635456 60549749 38974774 22508684 79685507 20991393 68501251 53251504 81069621 47833023 68003506 25893109 66663227 35926100 57846248 87689121 53487892 45654098 41706122 56940969 87488713 30302223 78623268 62431572 45218073 35893337 53558091 17847352 33911384 33485209 29970781 21127843 45058979 49068866 47227419 50239064 Indolepropionylglycine 4222693 38477933 92734259 5185971 60888607 3751648 51186120 69397707 1328874 44268144 4541909 15012776 213555710 3317360 2303813 45462088 9545496 19527296 8149314 20390717 40559381 18447717 2560746 3821342 40913717 1696821 7477316 45947794 26627747 1897948 77621600 5048858 304238622 49521564 11174793 8664881 28769385 27319299 42921504 140569341 55952163 35452744 12404294 55876959 37808481 3647084 319614610 45282273 2730409 98220858 305674821 8581163 40941905 9071501 1328874 17863370 18046643 5407404 35132815 42349785 136517965 96570272 1374464 105295863 24216150 149167070 50921906 130621312 540403502 10067297 127367714 18424726 40361156 17513886 63019426 237621899 147697699 43467462 86351981 47550091 46024040 1237631223 120396389 186716714 306703842 60017660 2472900 50777422 1328874 12066826 16043996 65374551 61437985 61444332 61502481 Steroid-C21H34O3 disulfate 1 272470359 63333794 159977376 131969484 137011085 137971525 324974783 109346566 185032376 171702650 275977737 354501559 99321391 299845773 73176474 776166711 725771941 35171776 333203549 144304053 293153238 152018144 264202531 916184048 845135943 597206891 600902916 350023392 337955216 37456046 41994145 668282751 94024684 96277178 101203393 24321145 172708685 227542620 5027234 104590619 410986702 278650975 160844710 274828908 30337645 125459987 663017020 117042615 184063784 116108980 480733773 1325628274 109773031 160680392 86936764 298580029 290010166 329157487 12639297 96027343 284303367 79070677 93377969 263068616 14927692 207055696 67668817 136345799 26902395 269502119 12827388 234729081 72508933 223019524 143698121 38316343 36175430 37989586 155649529 96162776 46620411 157996410 63494291 11562994 34742364 96715107 23800958 54050841 86475593 47413176 9690201 171237462 159916777 172481545 155459931 Steroid-C21H34O3 disulfate 2 5920869 4351856 3786647 4144283 6940958 16171978 11313941 2653720 2208495 25638027 43013907 43771913 1339312 3600688 10069929 39682521 23570831 2121300 25718971 3603746 5687651 2544980 21492675 16272816 22626475 27378341 30380792 5403644 28639719 2740613 1027418 42387596 2126105 1605959 1184963 432605 5020479 5520342 86839 1082642 13189572 3982418 2794187 6046114 437677 2452738 12327018 5764671 17234985 2491687 9317025 25116509 1132459 15724720 13389578 8950464 11208214 11163442 331877 2291039 5587954 2316138 857949 2989801 299028 2118530 692187 1852429 314624 2317366 225056 2227456 1262024 2169630 1763359 1393666 831635 824847 3088424 2920040 484065 1705534 947846 195621 481386 1190061 601280 944807 2649231 1873217 320375 6867617 6451029 6499491 6051583 Steroid-C21H34O3 disulfate 3 2829086 1668390 2780424 1543147 184564 1814703 3065720 439431 1202394 1264472 2120674 2387586 2635923 811868 315237 9298367 5954895 228071 1362649 4459830 3997689 9171464 10983749 26183913 6635318 25490227 6136332 1068403 6078373 1284079 9225385 20378083 2595958 595807 600421 222888 909875 32014303 203509 953343 902509 8055679 798848 1751610 367099 382886 6596433 691906 2055299 1604563 8315786 78243304 2302088 1285071 2297026 2797830 1697543 7565315 342780 24549048 6084741 1011836 531723 1871610 133405 1795849 617291 1794118 670106 858351 339018 1212778 8682916 433915 485212 13562923 1175258 484597 2219264 1206253 169031 1208569 1158807 129816 306752 1201139 5375991 4053754 2537169 157764501 3507947 6362232 6126139 5773838 5804048 M2X-RT230MZ249 89011 27424 42817 5665 4268 8111 9867 9796 11879 41526 4891 9511 7247 3829 37618 149082 16325 5333 6811 67452 5743 14935 14112 15076 25443 6239 13681 44115 18640 11242 58845 20165 58457 59333 4426 4928 14206 8085 6289 20245 110736 14548 23343 23997 67654 7792 123585 27972 4197 9088 84363 19076 65608 9693 19413 12233 5129 17227 13976 111269 56127 9413 7174 50094 29184 12032 49632 24099 57288 162041 6555 100786 285448 75501 81645 39596 91043 8379 33424 14318 10021 129765 62108 7984 52762 15471 12759 29814 23732 6683 4983 4150 5642 5227 7489 N-Lactoyltyrosine 6202694 3279690 46290957 9305752 10896680 8525971 24817243 9167247 7600705 16878647 14464952 21813790 12164531 6731265 3024613 44968768 13267265 13292908 20012375 10582079 19334415 14082853 7133871 5131809 30143581 65082596 30818174 14999694 26078529 3064681 9517090 25321347 15244692 12293360 5058992 3688497 14590957 19644360 3125347 35467286 9797288 15723469 4401395 10983638 24355609 6695632 6493388 13538383 6588239 24497098 14384122 25017973 12330981 10100158 2669412 10190179 17487047 46454116 13780514 11926230 23988886 26378489 23558741 43015129 3139940 53597370 13778257 83018602 42933998 13272338 6995262 50661437 15032827 21309741 16112109 16208132 23175404 12348376 33255521 14882909 14358032 56268294 23055915 8838198 19876953 33437483 4847329 28060907 14597820 11449838 1810913 14645590 14245369 13943160 14061702 5-L-Glutamyl-taurine 1436672 2062191 1562481 1551141 1589312 1243274 2790787 1146599 3138533 3112530 569071 1297775 3678646 2058132 434343 3943680 1608024 1500431 2596613 2555829 2538728 934900 1770752 4046682 1974757 3895382 5438317 2022198 1878164 2087990 846568 3843940 2420540 1280094 3582723 895340 1675943 1540919 540360 1927683 2383076 2321722 1678825 1401663 1602727 1109333 2380491 1643707 1707080 2347526 1764899 1448676 2008916 1126102 2060047 1785095 2014485 894824 808611 1470621 2151042 1745380 617734 6141255 1433121 3248249 1277789 1213880 1747558 2925583 644036 3340300 2345889 3215863 1713246 3637705 2407396 1035421 659686 2444741 888129 2237122 1900697 564237 1496004 2336610 522483 2781470 2337472 956670 1146548 2057932 1759380 1849828 2169255 Ascorbic acid-2-sulfate 149588752 261180139 462303571 551237902 107308466 172105849 519519178 598872497 468530296 648011605 188343876 107964293 564816614 193797922 92653076 395440379 405999047 162574821 284526709 400656753 491488932 265390593 240139297 697120264 457346362 483159702 452059004 686051041 194591239 296872239 336134316 269691603 623749574 295012486 247970558 272536456 250445328 834250287 225109443 864673793 247251166 896117624 303692796 551857142 292651817 329451698 664119211 369790697 226907194 889655252 612519206 726781201 496245506 201829747 341954018 344280952 438512867 433912463 196309725 499937254 661871920 301622597 255433691 622472498 154448041 1253281396 352366782 703471505 1035163605 685703969 129841394 643133501 526990415 707477371 286976346 1506539668 977189075 275605704 676490758 506529497 176925370 1295280131 613367918 261182216 660795945 304107146 141073777 432867713 1049110829 307565981 219716744 499413753 493794622 504860980 483477985 5-Methyluridine 9511537 3781754 5340314 5540681 462357 10449388 19882762 5716774 7570139 10788286 11798692 1010402 15073447 4646092 1672480 9574334 151870 2294160 9386586 4340138 1607101 5082359 5286010 7853195 9905700 8663918 36834186 9702985 1862679 2339233 6051442 1048950 6350717 6404889 1562462 3380580 8368609 11173182 2831997 7369745 6571819 12793643 5557054 6534423 4428649 4640546 9740201 5797333 3068480 7665926 9233878 7087533 6722392 2514399 4237018 5500897 4777400 785026 2455799 4298597 10729112 4949076 4944090 8369776 2533973 6828196 4409633 12558208 5584971 7352259 3507987 9136099 4561922 6778643 6031501 4781247 5847062 4932548 12023888 8017228 3166454 12362417 6445897 3024893 5050111 5338220 3859784 4602509 6944187 4080792 2280168 5349624 5301772 5469471 5679345 2'-O-Methyluridine 6182528 2296868 5114107 7483992 5808222 13643814 24290511 8995789 5460442 11738372 14552800 4403389 10912547 2672414 931851 17048115 6947545 3806799 5106091 3481676 8351469 45997 3207223 8460822 4572310 3499443 1505632 7789372 5045475 2193723 5258072 2317863 6079583 3366219 1290863 1524120 4139889 11427620 1801174 4428577 7445666 8497500 4416825 3594101 4063050 1761577 7626481 3756127 2644072 7069314 6498757 7180323 3752193 2376211 1272929 6510088 4849027 7381087 2069199 3397175 8814303 5057672 2572270 7018949 2344687 2965736 1806173 6904013 2103048 3736110 2506674 3812892 6958082 3089568 5876630 4910320 2782862 3446340 6974497 5481916 1927023 355853 2310106 2103663 2431971 4165040 2878780 2864254 6435238 2908451 1137491 4164914 4283695 4538570 4348108 O-Sulfotyrosine 77301168 49239529 164996752 63732254 45899074 32190463 106782664 48066302 174348811 158630165 86209514 67715936 161451110 65057409 19667495 259291057 44783320 54634180 166593148 62095952 108784384 57964137 30598870 124051257 124569605 141883980 103873061 226179900 89584750 40769674 61441136 42549880 158030419 109470882 87309309 37324652 86021762 244297602 31447678 103631541 94251022 124124381 41864311 89684419 72232853 107241155 143826398 62872442 30530413 71344117 144334889 54791431 72437492 28213492 29974377 54279475 55548967 48925353 47751830 49698317 87527902 75246170 60795792 118906053 31267557 91794173 96085807 188397496 96730794 110259444 55460869 147577657 34455824 90413764 132963803 61559979 65971887 67652004 117946207 214391480 54694134 154482109 95986631 84907376 63413705 93365129 17572854 56484452 57552335 46276433 27755408 73781672 73569426 70413819 68466272 Homovanillic acid sulfate 8479577 19780777 31233157 10277844 29449997 1864388 11269997 80253550 25970558 80688212 6943834 27880767 11882682 4491196 15913444 67578196 7900182 41192270 15200258 93508863 16022202 11656618 1944693 5679987 45314926 15040456 66968215 14791861 17871523 7175209 5556093 18986697 16971010 15290302 39300968 4632234 7393448 11770306 3379341 48001879 8677781 59947403 3060188 29251475 5819096 7654117 39776645 11667556 4290846 106532128 35195208 6454097 18769632 1907945 1275217 4171901 11236772 3751362 10615272 8457286 36449286 8201262 36939857 135449475 2767284 219880045 37561506 30963944 78913830 16219419 12692693 79064923 8077969 17017081 103927876 46454079 45427486 11400454 28301653 41273689 27694144 132999046 86695971 56606535 32263319 24675267 5744746 19362745 43824838 7178998 7464543 25482371 25239995 25816345 23652482 N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine 415054 665303 45735 72271 81606 4572 139077 5715639 24173 110432 6129 4572 94010 302913 4572 163135 4572 754022 572120 3943035 51737 234028 4572 137263 61176 4572 5643 3060226 4572 66483 7951811 6871 525539 143445 557674 153849 60641 240487 182747 9621 87392 293909 18738 413830 298129 36343 10582670 4886776 4572 130392168 9485637 17578 11726579 4572 14450 4572 10742 707175 1294782 8916 68211585 855445 6303607 204811 48276 83802 714716183 2988942 136639 746923 1167973 45007041 906601 2409191 14623069 50704646 70735 1077206 115750 3047142 4572 277738 179472 4572 4572 2122351 232358 2416861 412930 965963 12765 10780008 9930733 9680818 10392171 3-Methoxy-4-Hydroxyphenylglycol sulfate 8060 202052 518948 248434 50488 107470 364240 1009540 1865604 82031 30863 290148 498782 8424 19863 1547942 122099 196660 409105 50347 2209189 1419722 5854 245704 133968 7506 598157 2061294 658290 20428 325726 7342 240283 194247 96195 5807 50035 508034 84692 211455 17953 7754 18953 85163 442397 916487 1611261 1914562 3450 246828 23349 221656 587135 3450 217616 45964 103508 32216 261613 1493585 1181685 268447 12045 495437 148529 229780 172006 384293 674826 630806 12538 32054161 696185 1537788 95968 1347351 208515 4519 448975 115938 119866 764571 712099 21042 7857 3379108 14578 101380 10285 162125 357045 321826 346123 396995 338928 Phenol glucuronide 49495497 12853870 38055020 34955816 23741480 506719327 373581 10135289 160931216 109403146 1052394 14270428 195808210 86252850 1518882 94841080 17097008 57937388 29095979 87699182 7865698 50143245 77921742 10512739 45445454 2831872 7054654 673308834 456433694 6475203 23912249 42270834 67353355 185683950 32855903 4754634 84290714 157151401 54375791 80996708 62786372 308050401 21752333 37794918 35194761 17096289 62752224 47281168 4739426 64015796 62938620 19612208 159443022 29526520 15793683 27803405 4235478 17454628 36177878 25242308 89540902 48512436 35560420 306924722 38666566 69363068 72180012 105645631 31818349 60881259 32372758 227285447 67486765 30623863 107203996 31390829 31377291 131338130 168672524 182239383 50653917 105346417 41590240 52297094 41614333 634093994 7628780 15374348 204129041 28761788 5136920 67621446 65812500 65034762 64697596 16-Hydroxyhexadecanoic acid 29176 4400 11494 86825 54240 15266 69934 4400 24127 29692 61298 47925 98281 4400 23153 105907 54414 4400 89220 87756 19318 79180 28385 64086 33694 72824 81302 70727 69216 15094 23484 118162 95630 13780 41615 4400 170855 60829 4400 4400 84553 101955 4400 34764 20364 4400 90795 4400 89914 53627 53027 133248 52301 29331 81868 38170 36597 57677 4400 42736 33167 4400 15948 18578 4400 29075 60917 33560 13542 114317 47507 41501 11840 70474 45111 21563 4400 18282 57949 111941 4400 126396 41088 59211 4400 41434 83714 4400 24567 26257 16357 45841 65768 52268 73449 Ferulic acid 4-O-sulfate 4703 17494 341561 7994 5700 2514 11174 50977 5187 10827 5054 1938486 6100 5818 13542 249352 18033 326405 9540 105208 213365 88521 2514 11488 73026 2514 10594 155016 8429 48500 101071 2514 10484 25883 10835 3248 4559 12457 7594 48441 26027 24176 6089 7536 8806 7933 37674 5755 7255 217439 77983 7144 67674 2514 2514 7102 8741 8661 16547 42817 44090 1577167 2722773 4619760 2514 346624 997281 986346 6021 1362239 143773 13835 259245 512877 11946 10353872 1656599 95421 333981 958193 4760 1347445 250849 9369 31863 97002 5615 77951 53584 2514 2514 299873 229605 288380 290996 Biotin sulfone 9464654 4012520 7590927 4916326 20720603 12183956 29796909 9496366 20914229 4425990 10292534 17077085 15720139 16774799 1593303 3773006 15009555 2046191 4372801 14273855 502857 16601060 7803984 3032812 30270751 6340915 2685215 60987767 5546684 7533726 1325361 167305 11136977 5499061 730601 1147433 755726 16175631 1529859 1415149 18085408 162474180 1867675 12309845 2752345 50021583 23905179 9849900 1208052 34498658 23655805 8343300 36567951 1116595 2313445 11355667 1684420 2807056 2928145 4853201 5398723 7375587 25292419 28188727 3011511 17257707 15003554 29135761 9443537 15456676 4903874 8913961 3151195 14973282 25125638 1601778 10023355 11870433 8718772 34459107 1965339 6132346 3623339 7181045 10479701 79080374 3605739 13022430 22664550 3270477 985761 11254367 9434663 10627284 9294095 3beta-Hydroxy-5-cholenoic acid taurine conjugate 3-O-sulfate 81190 665393 13258 178878 271437 5627367 28622 236243 124344 8457161 6644 3445774 311912 13097 46035 12003 25722 31471 8183 29616 80653 298324 2433596 5430 1890214 2139145 602104 7730 8072 964911 5098 4752758 181519 192377 39026 90034 3241 279916 6941 229424 5850 399405 93117 172572 18639 162955 659816 8547 2043659 193864 487356 148760 319050 2460766 9594 301414 42328 6340082 13125 294763 375050 9374 74041 8925 7646 378250 87148 57332 46132 216762 49127 206372 127854 475334 68953 131585 49784 7278 202289 65928 4112 219677 44660 3738 9360 191636 13040 67989 57710 66852 6792 875815 832660 817511 782486 Bromo-tryptophan 1424921 1747618 1994770 1921903 1168416 1478729 4796766 2100773 1970005 3667118 1180445 1985525 3803167 1830687 390065 4292509 2020342 324744 6575175 1578544 3939232 932470 108747 1353735 7892260 430955 1529431 3214717 2005928 383737 1578268 750956 1573119 2381870 328656 756823 2014770 4644871 487949 1854949 1754646 5599939 1351218 2218821 1384741 1312758 3425604 1278761 498720 2433015 3519909 1347414 3023165 1437538 1378142 1497056 1030915 3135767 629448 789208 4577360 1764407 700312 4563948 349041 3979802 1738110 3086446 1504949 2374781 444630 3351713 1807980 2625707 2146586 108747 1692259 1626762 3404034 1383697 606323 2243515 1787001 637820 1056240 1861483 485930 1095332 1127008 634128 505895 1886642 1684241 1821177 1741486 M2X-RT196MZ281 6818 15701 56210 19457 7443 7148 10910 363554 76063 23464 7275 10589 160965 4073 5566 25392990 6626 75169 83126 773105 15207 16612 164324 8836 9658 7629 14815259 49197 14653155 104045 206028 5832 8648 61252 7499675 4408 11462 36973 9728 10551 6915 15654 564312 19331 27357 8695 244839 12644 4405 124444 285802 10827 12530 274321 3764 228940 307997 34991 6645 12052 28724 29141 11525 247397 9254 16060 91135 123795 15188 310652 5711 195316 591498 156718 11601 148831 84123 331218 15562 69979 10880 20553 134350 6311 4153 83551 39078 23298 50294 216221 3848 14041 16042 24955 22900 p-Cresol glucuronide 43073095 27626625 4139250883 162725478 90410846 28114599 597183045 1017256938 46907456 8922172 28919604 1119581007 280330270 14377317 79991153 1611090188 21000782 835255881 141712544 378754456 844165968 146472079 123363311 16791408 445823440 84690261 121032536 1313510963 1313820768 18272035 1162242742 872481354 196770965 242421506 421645585 616027284 324498021 155044621 334262224 148491972 419054455 101014930 439350916 216556703 28437315 990068133 69957884 627072683 3421245 26054390 234363049 120959382 275553353 212918537 7589072 66937387 118532152 31365966 79040819 108073347 287287013 123005139 41615507 31166454 41880928 195481197 52586779 181647717 70179933 72244704 91891994 55890306 118777979 70403884 26883606 226395390 359836314 135544298 2061598047 437222357 413008977 691375103 149888381 133725664 55869686 59776167 285586755 15073423 8234890 96199114 32453885 293863378 285082658 285750931 278614563 N4-Acetylcytidine 44083354 21885927 57323068 44708054 25487880 36077015 81808038 44116378 64512934 66515822 47421416 44091096 83698513 34210182 9573248 83502574 33718039 22826082 74935617 41702419 32033432 45229646 23764351 49042808 73062331 43244247 27271465 83050863 46672580 25186895 35468267 18820698 49388999 51661741 18095955 17805671 55957206 83023989 17283799 52566096 92028 88740614 25360318 52453421 28483237 27440668 82757177 27109834 7974973 60930267 80521946 42104786 45823778 13482367 15252245 27818652 33129335 54089946 15570600 13872885 69936837 35253329 21843204 84626592 10382978 68481839 34102243 76809585 44631388 68012475 19836682 54537889 18623543 51376193 61022817 42046398 42419306 39468257 71798588 61548357 22302139 81131475 42731701 29049882 37398854 38611818 11840851 25126790 36101818 17883598 2753961 37948913 35344341 36631284 32746452 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone sulfate 4991 10919 340501 4990 137244 4990 25994 596397 4990 4990 4990 466320 98203 4990 72854 212657 62822 951502 16977 70437 4990 6987864 4990 4990 18973 4990 16785 405333 125978 110550 190196 4990 83729 100368 190526889 58213 18016 22022 13865 44021 58019 18618 4990 11273 304874 70771 39639347 12005 51488 766546 33617865 29175 35349 15407 4990 102686 4990 7083338 100768 124016 612505 2026844 2716464 6962824 7821 112655 375030 114786 11618 18930 96412 401167 14472 419601 217872 9428876 6990005 458575 100715 13240 4990 714565 280897 17532 39037 327756 58259 30822 4990 166766 23019 386569 368550 267597 283184 Orotidine 2823879 1282684 4394554 1726567 1445541 840711 2389608 1881431 4946953 2310665 1451624 2244618 3407668 1902836 830616 9287798 1649272 2566532 4997321 5120186 3007088 3203954 1582006 2163013 4148089 7811964 17841038 3877795 4913555 4288952 1389618 5907750 2214516 2163974 7512367 816017 3260585 3457507 718337 1361835 2176469 5228688 1353861 1938216 921335 1499407 3803028 1810448 743413 529557 3397165 1287660 1318006 740475 312663 1268175 2171256 176877 1266490 263869 717725 1267073 1782523 41210663 1492440 1891603 2854512 2567627 850608 2921817 519703 2500983 997227 1907712 2058306 918568 986048 848585 1456404 5046187 922045 2150098 1677806 1053476 727674 1954343 153514 1359824 666856 1513555 710989 2599081 3054088 2462736 2866165 Argininosuccinic acid 333234 901847 1208326 83904 73813 567228 3482803 1196316 2328744 1629932 61409 453277 1755645 1064527 61409 61409 1941322 1625684 413449 344645 1234858 1556499 179472 1198219 1059274 1040917 311152 734499 124920 61409 943309 61409 1823536 868797 801679 338037 873660 2633332 621140 2733710 1283084 2682605 336422 2011793 1180682 321432 2637168 5729206 178353 5744101 2737272 1199405 2832021 221049 61409 1265429 866460 360461 386681 3011496 1808384 2276331 841656 3492059 1115549 3541367 1259047 1330785 3359095 2035030 1065227 2325405 3157537 3515858 1925154 7728117 1082972 1071344 2491159 2401488 1315541 3064669 1398610 61409 2056917 2436527 914237 1992386 6556604 1339469 587784 1807049 1570431 1727032 1538234 Tetradecyl sulfate 4604 11708 11329 8362 14418 8056 4530 8431 11080 18708 7249 6690 5674 5515 4363 11883 10087 14656 9349 4483 13934 5972 9686 8606 15828 9611 18816 6036 8800 8970 16251 12579 45664 4280 19712 5243 17486 7572 8619 25655 21847 5667 18724 6891 16274 5743 12200 4355 13742 4704 7751 7312 18483 6864 12337 9598 21048 10040 32369 11468 30188 11517 11996 6898 11844 32066 10216 5737 13989 7752 11161 43742 21755 37789 4710 7502 10838 6397 4325 5289 7475 12469 23194 15030 29509 9610 3313 4087 16452 8988 28581 10797 8714 7998 11835 Ethylphenol glucuronide 5434390 469705 34137488 685097 5702839 394973 501077 2268308 1448076 664961 73524 58445098 13333288 729635 531454 48891141 24282 1844341 14186201 5941955 3174847 29691584 18767 115925 51788 192917 1265247 2476677 254009 217036 53273017 1850535 45977190 1733861 2674054 11806791 2381998 45344254 250790126 24258141 18146902 358833 463724 30735379 6254794 104259 6215041 2041052 39374 882280 58934079 790138 9220319 8917323 77350 237101 119528 1271018 2416180 465726 8808099 44323581 3734737 1960751 333473 31202258 1853415 3744005 11794191 28430879 3251423 3189157 15723222 9327691 2227181 5793698 152154786 2492229 59279956 30782874 1794630 248167873 50382074 1186729 33774373 11553037 2239606 1096211 173913 10087432 24288518 13733867 12757926 13012168 12454349 Enterolactone 51701 5358 30617418 164614 16665 11814 5691 2727 4045 2727 2727 1406630 169984 4595 248542 2225106 2727 3402 88712 4339 3853 4960 2727 2727 52136 65209 8491072 834875 974681 2727 4133 1547457 2938518 4636187 1530831 132920 1963693 1232548 1570743 8047444 3394 4985874 1437241 3592738 852785 244743 3031597 3852 752154 53598 6770543 158058 12485 4417 3412 125706 2727 446662 5128 38377 4009867 269645 2727 5306 1214416 1508337 401841 10612811 3938271 5248 385233 507614 8200 2727 11193 832341 4215320 149159 7503 2179279 1151142 15177972 8342 1296954 3324 2727 2866 2840 6730 3498 3412 1807691 1849664 1727813 1716720 M2X-RT272MZ297 228880 934242 225537 51988 92181 103173 65530 236902 254046 217435 92718 53614 354259 228620 2535296 43333633 8177 1894761 328540 928341 865581 22294 135449 16802 569474 664531 92953 277638 277021 20854 1684341 666405 355497 491076 1106527 84281 209279 274769 807331 238937 1203258 110199 20542 181055 262857 51971 106231 75696 63606 380466 201183 34675 170860 149975 11442 267043 101740 31315 148895 430488 1777743 47564 36666 242287 29124 314949 777989 21683 143372 12457 38620 667192 1746460 259801 163254 411883 16878 87163 3305512 176790 54444 1081879 242362 135228 189005 199061 39458 75466 109346 57121 304646 641908 734291 777044 692306 N-Acetylglucosamine sulfate 80469857 40301556 69268888 32027351 38073516 32506485 64026164 53343978 88120894 87315223 53638422 42047431 111531876 55559645 23936933 110480816 41803572 68424627 88098243 66036260 56244668 65691983 47301945 87879916 56135899 76261107 93773660 83125116 71621564 51726102 54969297 68344912 63957458 64392519 65287620 33650345 81470008 70447216 45302124 31907335 70046944 92255299 44539439 79006690 35523902 69684771 165441289 31598237 28950711 32963383 143670343 26098375 57013117 27651790 25771406 37116626 32754762 27428922 60623312 29599975 45403753 62216070 17327289 50705569 38397901 66172506 34130041 85970963 30905753 68773729 29027662 53253598 56532860 68328751 85105027 50027336 33133182 49902420 66384535 89936859 34191006 70711428 54307159 44387175 40189499 56636875 15441655 48530601 33147526 46352953 45269668 48500800 49685760 50297813 48412987 5-(3'-Methoxyphenyl)-gamma-valerolactone-4'-sulfate 3 4409 3848 1754763 12877 11657362 3848 813969 4054184 815274 2435916 1446180 764903 63440 163741 51666 493444 139500 958426 89147 5897 203575 153766 7412 3848 1853621 3848 1596992 641953 168629 203799 159986 3848 1392963 116462 1159698 3848 5677977 7162 35632 91127972 4797 8030697 3848 2046815 30745 41372 5242652 136611 136123 1548529 3688006 176993 859887 8033 3848 10423 37706 46596 3416043 31830 1696841 938227 48043 22776494 1234461 150185622 26075728 3646388 12203145 369539 1556275 12765182 1844080 349238 3185978 11145955 185398459 2643634 29747163 6131207 1151033 14783831 3525667 2175041 35223381 3548112 243036 8513823 2717559 156832 156258 5503773 4741434 5468218 4649277 Indoleacetyl glutamine 44557080 156270414 319593567 115387618 244144109 10621014 167605389 89678984 389030950 217894635 41381659 252032807 32220059 22096215 26677972 401063909 59574808 51204646 108695610 47872828 97992371 145341534 31238414 68689998 163769275 134443688 122353035 224922014 223238805 31113424 64068261 18397778 57428079 144108553 46920019 27957527 13166131 332238144 34243755 73368521 105715011 274974262 37049753 154684747 15501849 121311251 200247351 160932399 38555243 105380726 186587042 31299712 144802417 49643129 89251355 43048310 26175751 109739700 46705374 84392998 379663357 103912091 44235096 191407875 24739405 208419211 65452734 194763829 800428677 173738015 47385266 80133555 19033734 172716773 168608428 66387452 91788615 110346578 240336342 134003144 164324265 437446834 106645780 44991370 69190484 203304818 69101054 117908722 129848438 5183867 17324725 105891184 102108716 100323596 97348772 Indoxyl glucuronide 9178300 6809294 134816530 12046124 14285406 98580437 34101935 23128157 17840447 37137100 16455797 64032755 57524390 22187215 8124987 95720294 16875063 63811676 21868885 28509100 107258077 17029875 17575962 13697682 17605624 7349713 46007894 188801642 65252764 19720210 25951922 31271101 35319428 85501054 31118738 8195009 33576835 48894472 22428627 60027672 60757194 45585981 34747097 24096894 49845565 37560649 98206609 56532265 1777707 10265036 77642012 19322264 32887111 8062537 6339228 16445017 3362141 9639672 10243263 23492203 35909463 14132493 29732910 31691580 17026511 27292771 43737367 102345413 46989935 25526306 11296292 98953703 44988009 10637772 19846897 45574159 30994928 31828603 176343904 105716082 23740566 52873141 11827528 22248950 13992605 72753416 8526707 4063626 29996336 12990968 2161827 32977856 31371506 30635329 30016688 N-Acetylneuraminic acid 21018857 10426884 27962444 12806909 22762304 12512368 8707136 47897337 19111798 20217631 14442226 22644580 25972332 9567336 19309421 65616111 17214053 15972828 25170187 21324230 27215456 7228055 21459755 18703772 38881207 68415902 166001244 24294942 18701828 8350540 6317816 47985120 15247509 8925480 42660968 7659395 17995871 27230740 3572206 11826425 13997939 19514014 9904201 9312949 8544187 8246026 15611825 8860773 6203065 9239268 15099366 36162612 13429221 5404440 6245315 13600760 42322311 13623743 8962002 7106576 6297802 10963604 28520552 35987303 12244030 14696559 10699455 12467669 7031194 21357102 4930289 15672548 8260523 15832165 14278175 12511442 11059074 5259356 9367894 36035135 9027432 19785383 11944368 6759002 7877310 11668579 3639208 14010349 10617392 15705276 4559434 17869068 17936081 18298832 17629874 Octanoylglucuronide 1 166951 197985 2067551 209083 666346 1391262 923218 607603 822076 1837664 655998 542910 604539 1077221 10425 988665 78213 1321528 599194 2261333 2783435 829786 542768 594052 2032268 511264 245017 1376637 1706827 430605 26283 208471 1331854 619947 6782 76911 271290 1805329 235140 494260 273941 913687 176104 334129 883221 454032 35395 572863 212283 3967170 985732 794532 1421845 371770 66362 184480 682592 287822 336951 1037605 968573 1203148 2040435 3107664 348212 1481217 1629545 1759916 840687 5206740 285116 5290340 7629776 1608388 374278 6437809 2461346 279524 11224 638195 143530 1699638 729707 160280 215396 2886951 442833 628637 545048 1516415 545777 1472114 1305300 1339863 1309341 Octanoylglucuronide 2 2426 500619 1619398 444371 763155 9323373 17630162 8482 9325960 3720549 10407 1197455 54096 2047243 605405 1433400 6882131 1151358 16046 5118917 5728577 5455 4501179 12646 25058 1742224 2879209 948426 2825027 3230849 2449776 1286816 1101242 790273 549184 3404 639454 4730500 1220843 1090377 895891 3376442 1565338 8005 1126631 356812 2336210 562122 384032 4520064 2290238 7263611 1039450 451280 1004870 855952 6865084 2263813 645594 1567927 4130253 1818221 1824037 4718165 473868 3342592 3090817 6061566 1158464 7912556 2413413 2659500 2159632 1335334 30305 13096606 2023 4212305 11385800 20520 2096625 4689068 1592473 2300614 2662799 2375038 1481564 2496137 3404629 1865216 383568 2315980 2564449 2611200 2631724 Octanoylglucuronide 3 10531702 1094705 51768462 19421189 2454480 23310907 11772546 1989718 5396360 2928700 2026227 4915835 6658241 62144875 3577327 5723735 8480606 31492891 12918414 7644951 78949325 34848803 4579174 10838268 28921762 66646956 6248677 8113350 14001685 3037010 3074358 20813432 8859967 6724855 3191689 2347288 2476315 4158722 20159179 6068260 1990995 8537494 1697027 7218597 9106248 2776059 26888138 2596665 1593306 10255117 20059018 14314046 5007356 2490538 4172109 2213534 21304351 53633 1564514 1566102 5345901 5596068 4605750 17260248 2311506 9727279 253550175 32285074 6753998 17251544 986058 39908069 9794364 6062090 4163193 18905066 16175251 1929904 138433655 16511033 1935020 10134018 7675916 2339180 3285267 59973338 14675228 20328225 1901370 1185462 693548 12854398 11845814 11494667 12757189 Glycerophosphoinositol 552101 739577 1074560 324807 461400 589843 914864 928848 1087101 1890424 244626 642243 1506834 367784 219155 1161680 1095405 629609 1128095 854079 936836 24076 768988 1413303 582393 1798837 6921631 1255788 1285793 349093 304076 2197508 1333180 709458 1558397 85737 1044544 1425549 24076 1954275 897915 1152273 825147 1164047 1042682 476779 580573 534969 561707 1684722 643581 1033790 912981 701967 276850 921913 1366872 274263 626545 2283361 372630 561817 513433 3990804 868247 2777276 952497 1720088 1107249 2210266 322107 2130667 595145 1805148 1118110 1602194 610482 266754 914141 1726245 799946 1343137 782482 418695 1431692 877419 319536 577714 1104567 604615 378324 1064056 777512 934469 1110935 Indole carboxylic acid glucuronide 53175926 38071893 82498818 71242805 40112506 52098104 99572701 48477362 73494758 112354298 63945710 66958748 110982742 48271657 19222683 86094814 43090616 43946008 94286002 60663091 52474773 46185415 22187940 63986704 77000586 58587288 38736843 84637482 69476893 40217179 70110454 44642399 59192686 62046328 30757260 41637019 79063708 85378747 34238208 102920414 56593477 85135839 24481792 1640562113 41898620 31283108 123448676 212487368 9685953 142270642 138338950 34089468 62564975 50596692 15219898 29431692 27470595 44399826 20929363 119209207 104483175 45311761 38492970 127174777 14654270 82756061 35890955 113264919 136928571 120976345 51793096 155837581 39157224 106839118 162270858 68945015 62673401 53767880 134443999 104469750 43371363 246026021 80328807 43485689 67486175 44454264 16533856 42348618 66615429 26081903 13630949 60932265 59237213 59085359 58920598 M2X-RT398MZ363 12497550 23677 5863715 1792590 4131258 9770131 12845193 5279 4698317 7243765 9473993 2448343 48890 5827668 797233 12980385 12479050 59297 27519 9852010 16096740 214418 10961677 20243 368814 196631 18291205 2088375 1731733 1539567 80941 6398693 2139020 1218187 8485 1184131 4411338 5410420 2973 1296623 5507455 3352391 6316355 1490719 68895 2195664 70903 74534 3307995 13882 1797493 13973623 114130 32795 15918 6797256 5532 24400289 1681180 96238 4612499 7977816 23651 147197 1045204 10671 1423454 3061386 5577803 75089 1650881 160467 7087107 91655 2803242 2489180 5473648 4253851 3393141 1138678 1522216 1939886 2547764 1444719 3822564 27250 2467732 5492198 12769 193456 55288 4538702 4216845 4172279 4047211 4-Feruloylquinic acid 10312 4208 1905953 56138 242927 8617 8930092 24482211 22401 607239 4307 2806579 388803 773241 938127 17923 150612 638278 62539 262791 2189081 929484 4208 4588 4667981 15046 464022 704763 29485 9538 52138 4208 2826173 112515 182451 11383 9600520 16228 51301 14053557 14772 17285 4208 28695 74175 5039 41489 1113223 14777 23215 42101 18543 50498 15980 22899 7407 9650 47631 404030 137471 282202 588109 2811673 6666481 2437696 178665693 4285424 1197153 1334023 427153 8708 1372747 254124 225365 2987004 204239307 67858750 1916834 106868 2389557 258139 2072511 1091561 16446125 472451 509035 1228544 22496246 138181 4221 15320 3584242 3197532 1928823 3218168 Dehydroepiandrosterone sulfate 6089 68719 554888 7602 6538 46311 2723423 145525 568603 38773 32432 1009736 45691 451555 38824 62993 312060 460131 589682 5899 7659 581625 406062 388245 779712 917439 1266352 1281588 26245 5221 130527 10427 82170 11473 155169 4783 69312 56735 74267 4994 4903 1075098 108586 126136 18150 256604 624650 786157 71566 303961 349877 12784 513710 41944 243937 286681 83707 1185853 5226 284791 147678 65368 438717 825891 40901 153820 181662 217736 3515 349936 14798 11508 638061 452458 1253263 113011 37177 8821 297054 4994 27982 17733 1025368 96253 7408 954897 43744 33355 437840 729222 516505 228355 160610 200207 180355 Androsterone sulfate (2) 15069 3689 2681992 9735 129065 270997 466716 475749 4129362 961019 216207 856977 2685097 842282 216355 215732 1882429 9460 66303 176465 2207021 2362458 521219 2868991 2102025 699679 952984 1624675 126939 11599 3475 1048840 504321 350824 4111 77764 358863 1883521 3475 190409 385932 1965087 88271 777592 436449 677732 2558174 4923 62675 768328 2469871 1543276 1243537 128696 388017 4039 724622 1192052 112855 4669 1132198 484905 142524 210403 43886 279573 4365 11491 27694 628669 15443 68554 889233 265447 1344596 1379912 209762 123847 809421 441616 20380 96381 5267 31123 182061 123507 1351345 480457 987320 6246 222712 278499 263700 206386 149750 Androsterone sulfate (4) 11084901 5426480 41252595 2288977 268047 7781788 34454136 12198757 11489932 826459 6242046 2406132 79705458 57723575 1699077 53568450 21465937 543020 1191997 9154910 6468009 42972290 2459341 54957485 37909372 2082935 2977361 15252023 3118565 683043 37864310 4462423 20764226 20250207 15840635 2954765 11173628 67058913 2305701 10588633 2676720 190049821 10012909 9318001 12897196 6114587 31189662 2709336 3073831 10804594 29583086 22045168 124288033 119010 79826 2955116 18222379 30700770 3008311 22047705 55588695 11091762 6319498 29844745 2751416 66796424 6934966 15837465 5341426 19546554 1739414 3991978 12909656 7974879 12593176 28877492 22276072 4312391 12524191 796703 7109040 15871133 18236715 3275173 11852006 42890396 15868978 18984639 10863108 40208791 11510771 15095175 14719959 14601948 14114922 Enterolactone sulfate 2450763 3805510 101559129 5551855 660851 4560 176301 28633 163313 660298 892886 5201449 30772003 102017 1028325 19885242 189693 116318089 1024955 40810500 4769828 29717946 12875 45133 917428 582921 159893898 8881543 5979617 2803310 123391304 9802214 274811690 286375727 40679325 13479834 161775130 99391814 137233924 177426803 464893720 70991237 23730074 107940660 244362696 12561171 90158772 14159456 57667 28170684 204673784 9523744 4634684 2745095 4560 8555947 768760 24486483 3551427 196585104 164736383 111990347 1126518 3252137 171207622 121831821 32032929 328673304 448339111 16262727 143474275 10465380 83164294 2150846 401519 556390054 142492055 8994046 1006239259 43524794 11390564 852114199 536322092 34666181 72364185 907956 138613007 177256 359200 21637065 108460463 86861975 81358387 82588845 85613162 M2X-RT300MZ377 10228712 3885511 8151090 5641486 3709941 9003351 19420602 4179802 10062544 19177234 10071633 5776584 1841407 5604240 2705224 18795521 14224862 3601583 7157161 13787805 31320710 2935156 18585403 8263373 955780 2174423 40937002 3408258 5658866 4423189 3603397 11997045 4225904 1671051 5649967 918215 6281529 8716400 415757 2251999 9144556 8355809 3318742 1884524 1448288 2893810 2369273 3058065 3147842 9927558 3209232 10974230 5674454 2010151 4231897 9603241 25881168 31023102 1676914 2759423 5744505 6121701 3179814 6905601 849642 4373430 1845441 5117909 12572899 4018081 2367265 31409038 7763490 3839872 3538777 13155164 8406258 5127539 5635645 2701850 1351659 14721601 6785472 767105 2330194 2502829 2548081 3917173 7975778 5555313 964500 6523821 5999899 6188917 6290352 Sulfated Androgen(Partial annotated) 89839 349457 1105157 407973 270830 117657 236374 300510 1333539 511228 1173569 36624 838027 322878 4430 700461 1402891 56573 1072995 51789 896515 667483 411326 659802 1796219 2189594 261362 2102922 1469633 47386 347884 469055 654349 1027353 784532 163074 304021 1080082 38086 1179144 294913 1456858 251532 1103992 119035 276972 2497112 906162 122720 1497313 1960745 1042285 78211 90123 474677 433212 259402 383035 104305 338958 2278644 268136 726623 304152 91994 1085006 683169 2311514 185224 1149925 9932 1665469 385532 1049091 713637 614759 234035 370832 1577982 797319 161588 2581221 716115 45093 131172 758975 47580 230733 249942 139025 3877 518134 533418 525182 591948 16a-hydroxy DHEA 3-sulfate 171388 262329 761747 229141 149499 53225 840092 394709 564810 417816 762342 782012 807015 370719 32850 210403 208528 146451 665655 643880 236234 408366 625648 1612740 742393 304874 603181 492682 541932 145264 303259 467658 1592280 304894 228573 237335 429654 788173 44850 512656 242977 1842594 165267 662271 365921 2180 3665255 439231 50554 933241 2949540 260654 454285 167455 234466 74574 294814 163939 152914 194055 1214596 525845 230055 415909 190893 795952 470363 479953 352972 776385 177387 613627 235848 389123 2126978 2615503 589176 165109 3080635 356526 265351 726281 1250934 160259 390864 737369 940114 164645 706433 565476 168537 677877 784780 537318 527461 Deoxycholic acid 245981 10881 1658880 5098 36991 1168358 113383 5712 239472 5738779 510618 75148 160032 97398 239020 658005 246162 193808 134498 78496 3718449 89921 383935 66551 6344 26819 1431387 99505 400695 3545 2883 502547 38430 403938 53198 10388 112319 307282 13383 308099 40609 299450 11692 643297 657488 206743 4179 72481 192727 12701 97994 81526 28496 273799 76229 16760 737139 612779 17652 72110 84077 24330 15838 181703 12957 134388 132678 42684 35955 138066 7348 77702 139697 41884 163668 4717 31296 277423 499619 5635 65977 23876 186569 93995 195090 28489 73316 112906 102279 4749 3820 268512 221107 216202 200385 Pregnenolone sulfate 4067 2881 219509 2823 2823 38072 274277 331224 19280 5384 55764 60698 97895 518541 2823 7256 182381 14930 5834 13651 94655 9098 4393 117937 52728 3560 219733 5789 64306 27203 83063 288577 67435 9236 74929 2823 11201 79159 2823 2823 2823 270199 44599 46756 2823 20283 79915 8806 6685 77792 69171 339588 109704 6826 17407 45920 538856 714331 2823 61265 57327 40206 28081 208049 2823 2823 2823 15785 2823 4780 2823 2823 5109 3605 25727 2823 26765 3180 2823 4928 2823 10291 4165 2823 6971 3968 325327 5118 92261 6458721 4790 121748 121469 105874 128366 5beta-Pregnanediol sulfate 173888 6762 9649 5269 207091 3978 7710 23361 232587 623004 1679276 863343 537197 540360 262504 1371474 35395 8319 8242 334514 989883 6285 696216 560646 750428 348004 1017325 196645 4618 96524 37247 652681 3548 13023 218656 5940 305266 140228 3052 135469 311141 461144 217723 344689 66116 3457 16433 84049 143087 92306 119192 1885189 540342 145192 135323 12951 685453 3052 3176 247310 21231 3052 150254 6423 6680 175186 5237 29651 33723 17020 15788 17801 255640 167943 97654 222192 5444 44562 107161 74606 58619 670923 53199 317417 81641 7316 601917 537230 4602 3325 71377 16064 11476 14519 14334 Urolithin A-3-O-glucuronide 7107744 95514 2932273 8035 6719397 4411 22184 15934065 20188 11975 4411 41168 10564 32910 473596 5336712 9654 4160309 4411 24853 61449 11880 10154 17483 2252212 28915 189511 16982 1543708 4411 18717422 151066 21573180 10792 5982819 266742 47441410 4411 4822 40083 8773352 28204 26384289 50335 21469 505791 42798 45191 100322 56770 2025068 16098 33549 180582 89756 12741 11131 12773 2406228 9780691 62089 8267 56583 4121953 24532 19176 4411 13617 460709 52309 47694 72394 308714 128609 10992976 94096597 43735 9905170 22345 22640 63440 10588872 37190120 5140 56916 8836 7293001 4411 194458 4411 4672 3361657 3093844 3028266 2973156 Ursocholic acid 272366 465197 1319847 642708 95890 12757 26104 932177 50074 403275 4723670 145654 10342 103278 3706 674826 210987 336409 9444 14336 12908200 1248145 10180 70414 12487 11913 3514823 5944638 39207 12399 1931802 65802 2181595 5347054 139097 4242 4602 5616791 365272 3483 4416 159620163 8810 4656827 2344607 1176745 31364 911856 1148705 5367747 6213893 887300 11067852 358524 1856365 5980 10516 675494 4952950 13232 839922 601727 4582823 526446 700130 10609207 9887928 4440422 5468 500523 14171 2064493 2919254 4357929 2240399 3396622 16083 2518363 4607910 1207833 444263 1663292 3448800 4166828 3770856 2846843 2085530 7755 14637023 5055 253306 3249877 3014524 2888310 2988577 Equol O-glucuronide 23409128 9390029 65654767 798683 183609101 9631 35351 6784 285524 42848 808760 10659434 1308239 53418 20304 20228 56898 2091299 59801 3950724 10700 5902384 33124 70951 36823 33021 187628 840331 56931 857805 36811206 53305 1423257 45502756 37467 15686000 83576 39733268 275612081 7766 33685204 323265 1045453 6505913 183899042 201996 46672694 32056 4088 1082303 150075851 142199 703251 5926774 16977 17142 5723 1519017 45989 278347 6583788 274755476 28580 28715274 156844 168791847 347951 13609789 71525415 5155118 16953717 1882737 363570495 2127677 171694 58566 69773829 477819 1254320 10548438 225274 153191967 48876070 1411276 12870693 290679 64999981 282263 179351 760143 29993275 16949895 17063111 16888019 17122751 M2X-RT413MZ424(containing nitrate) 11621409 5871307 4183327 1539477 6588873 8585099 18329050 8657493 16202281 10585307 7747472 1272789 38968 2589826 1148867 1021099 21136488 2347556 4220489 41107853 22664424 79465 14187365 2659388 8820 13863 8539115 1717564 804653 7086571 1069214 674186 5326707 3333029 1684744 5591581 16075709 9878070 2457476 1964193 6839784 4480409 19042017 5378403 3577786 7226321 7851 3646 4364511 8855430 2382152 13054464 4662791 1649015 1171003 9321831 7128766 42784645 4563280 7692208 3271487 11107306 8380269 5813892 1944681 5742343 5181112 1707606 2408 5104 7186090 2037997 27073915 4314381 10515825 3180354 10791310 29618033 3607478 3922799 5647229 2130272 1834767 9115395 10981291 1809918 9358679 6084969 15178891 5150 2681282 5489520 5555432 5800864 6051683 Estrone glucuronide 223830 1541862 3389304 89976 706615 60045 6412960 1877611 3275826 3989600 4713135 5506431 1009858 6641127 437189 220600 21402730 1195031 1593535 637161 7062342 4624123 9478960 8790472 459113 227002 437226 3264627 4453861 4184600 1119289 24273124 3036823 1016959 4595809 9476 3791450 5874583 345532 1918152 3191212 17524376 3699317 1469596 437215 1038254 3877924 698675 2828920 5305740 3413470 10309537 5227673 1385482 80961 2782937 16118495 22615114 484976 2263876 3119189 2689107 2121289 5369780 538759 9070366 619214 2624105 1775052 2927694 290492 3045638 2480863 2631971 2364932 5233716 2477788 1684945 4782520 2318052 475555 2133437 2359584 658476 1886044 2072294 985990 3388109 9323500 1858542 539415 5361307 5356693 5052026 4754686 Naringenin 5-O-glucuronide 217788 563762 8978634 19166 11871 8983 154183 35838 4723897 22449 10922 922486 147705 95574 72535 2375706 3012187 67018 8983 149620 5174022 14626 29829 30833 46875 8983 46819900 2150506 644077 247471 555859 1722471 272376 351669 3925231 1109627 15502 518381 1499811 81356 125721 10473 50334 495966 1282133 482633 58383 789272 228828 1825211 1249776 13982 166735 58548 8983 62325 22682 8983 58197 1379338 4353285 1974098 2139505 20173070 118480 1549482 16505 24155 21379 30595 267246 2187448 60648 2121490 935148 29392 545097 14417 1645966 191325 136151 183967 154674 200910 1003231 66680 5132856 417788 32795665 31709 8983 1178994 1052245 899979 961559 Glycoursodeoxycholic acid 1534514 411671 21425793 313600 2091062 963990 58691 3134975 4133906 54913 15862421 7690068 289100 8670318 7793 68710875 179088575 20763773 408819 3970901 1929536 751981 202164257 50851 15270 98290 135392775 1815037 10332296 12689540 1017579 9005162 2274649 3588232 5928191 391689 9000753 5187934 161464 1396387 1292918 1295894 164753 1462084 2485305 2797420 277374 4770524 501299398 1386960 271102 774233 2901659 62698636 63850 2523912 886428 716664350 6121417 1540693 514376 3879298 725087 3043034 278341 5866811 187758 202615 1306724 149080 144099 1825397 1103211 273534 1280925 3366945 174209 3045660 2778604 72273 458244 1792986 3236080 172121 809431 3991013 1089483 819970 7363899 492616 743900 12025880 11262644 11155392 11092901 Deoxycholic acid glycine conjugate 2015452 4436412 17029748 870920 2381418 4228156 1667518 1996963 2467679 5018388 26104479 29836287 376620 501350 962973 128372339 3388724 646766 28781325 3752023 1279349 450824 192670662 205847 651021 445392 49440594 2141887 20669374 10816586 520418 33025274 699252 854718 2874405 165658 766269 1432645 39986 2412294 176110 3775251 28769 975464 778791 420383 1848790 1225640 102474664 1846058 1570056 316608 905868 27674815 4103494 720276 1733017 265981437 533795 572374 975895 940977 359230 1329446 190896 1714813 1012426 1750164 1008245 656741 97368 3123646 563220 485038 2318088 1294010 405669 397135 1554094 1266745 238341 559941 627224 301978 497031 1750345 372308 1462461 389559 131252 61407 8425955 8079098 7975396 8380235 Androstenediol disulfate (2) 821799 1017547 3535856 217228 478785 899485 4164452 2391613 2941380 1961305 1584258 2551380 5142027 4326066 578374 3664280 4198837 321162 800508 308742 1739351 4459094 637198 9893987 8299551 1671715 1037863 5035129 842371 170581 2057238 4549265 5523277 2159472 644696 277503 3105416 7130353 146505 1213420 1355291 13159022 1280124 4176997 748396 1812430 11949575 1682580 207011 4079490 9415175 5553717 4684333 291292 1850502 816957 3726741 4698257 589038 2457038 13651572 1999319 679939 4201633 454538 3081332 1233714 4241984 577052 6709817 249930 3259549 2067184 4122516 6401397 4099551 2976474 1272073 6934381 2760632 523486 1627722 3588155 196145 1249877 3364624 1577548 1761584 3521791 3077704 974432 2519372 2181105 2136479 2117645 Glycitein O-glucuronide (2) 3355 3355 3355 3355 4409 9941 3355 189046 3355 3355 782213 18638 3355 3355 78567520 22490 3355 5854 3355 10304 3355 100552 16572686 3355 3355 3355 3355 3355 3355 195329 3355 35963801 3355 100547321 19790 25909 3355 3355 3355 5807 3355 9175 3355 3355 6060 3355 31012 3355 3355 22753 3355 3355 15189 3355 6779 3355 18695 3355 3355 928243 3355 9578 3355 3355 3355 21174 3355 3355 3355 3355 4270 10600 11162 3355 3355 39873860 171337 3355 3355 3355 3355 3355 12741 432029 3809 3355 3355 255889 3355 563064 3355 1428982 1425983 1244632 1437335 Testosterone glucuronide 6026304 8600145 12058898 7095301 1969990 2456583 12451002 5204279 21750426 7341438 4056154 7352989 15108830 11338982 1866834 12376803 10539847 4574060 13262295 8776097 11880509 15410596 5367101 29236701 24740774 4696115 9953842 25570066 4117910 3671050 6422592 7684091 15593720 9111531 5380502 2930147 11959436 14459842 2289823 8546056 7844579 36624343 5367443 20003461 2764869 7965365 52012109 8055136 1280186 21384365 42812883 17679811 20871470 1357967 3956427 4291580 12344727 11594295 3995360 10883451 25372583 8465848 4679997 27603637 2068534 16808811 12177675 25846187 3437222 29395496 1830505 19109410 10053515 13265563 20139764 12989778 16414729 5951233 41125397 13526566 5019267 10565561 20570615 2222648 6666362 11779837 4853970 6676641 15143747 7557390 4199195 10280015 9757271 9458466 9458870 Androgen C19H28O2 glucuronide (1) 7507094 5091232 12331515 6464905 2795615 2561287 11356228 8652192 20926386 13307803 3885929 5206817 25804094 8407831 3626765 12654192 19957895 2662176 17836546 5582100 19809279 36316768 7847625 39833896 29110106 5782561 11571585 16570959 8002394 4036583 17890657 6900549 36557465 12525248 3451505 3086975 9234404 19956257 3078558 10274398 8246908 28165472 6525251 17803895 3735065 7683428 49864059 4589423 3350437 16734890 41952180 57530354 16010151 2051416 2218168 4585401 19296140 4847034 4585922 9501702 47684104 14063651 4920766 31977717 3525783 14761249 9215133 35530430 4841290 46057240 2513643 47535205 15832967 19171605 27135800 25543528 23532150 9343835 59682588 19376446 5092954 12479319 17246725 3447373 10626712 19127244 5040964 11770663 15674060 6135495 9051981 12562190 11909667 11561620 11758337 Androgen C19H28O2 glucuronide (2) 1490772 1504672 5636930 1377694 1202891 789981 5930442 2215924 3839151 3194089 1336403 1497172 4984354 1679489 1047596 3227554 2086143 962531 7086422 601027 3908245 5083963 4288668 6123950 4324329 2289254 2334328 4104750 1316752 555361 4735785 1549168 5486535 2931826 1051175 1366212 2044587 4778960 849056 1971470 1920199 4041751 1681839 3063820 1166036 2012195 8512859 2135904 565184 3512306 7337620 12422343 2754942 817004 940359 1854544 3754872 1518360 2001759 3197780 13321733 3955015 1269439 8447437 733875 2679251 2880532 7693165 1942230 6464552 779641 6892736 3599688 4804930 6643132 6418809 5702966 1875520 9442435 4818501 1566744 4326270 8725800 612709 2002195 3729210 1155346 1919908 2531513 2633419 1953060 2946865 2911737 2592928 2882535 Androgen C19H30O2 O-glucuronide (1) 438863 504501 1233306 384128 135672 12876 898690 383087 1163148 846339 114305 725579 1445203 531968 89254 547431 872149 308992 1095027 402396 624439 1385315 100535 2891777 2593571 495852 383676 3172315 344890 337181 617769 46710 1343174 649667 189276 155831 470097 1137855 181837 687796 460745 2244947 389115 1781771 193244 698850 4295031 796937 20624 1696073 3610530 1726678 1214322 110945 511964 218502 631633 137677 288150 652540 2240867 897555 399631 2605897 149928 999630 704512 1475587 216300 2591735 9946 2171647 578844 1649892 1477626 1050142 978561 384673 3010422 1301098 281541 659310 1492951 105029 423053 13761 290132 291252 1453119 444702 371612 768182 713503 709929 681215 Androgen C19H30O2 O-glucuronide (2) 1248135 2464601 4342538 1879921 282819 931260 4507630 1264692 10024408 1957859 464703 1598336 188266 3237890 281115 3447042 3294823 16104 10567 2215483 3986243 8087515 3099322 11977000 5146843 792750 3585537 11493879 1127118 1361984 20598 2726434 7085231 3065822 710405 1910466 2173280 5533316 1327048 4167531 24560 12485586 12713 26085 736513 3175938 21748660 3398 408852 4332407 17365823 26703610 8371276 544489 1379047 29765 15999 7120694 12046 14371 9628769 14080 2598416 16588800 655614 7235193 6621472 8364701 1335131 18421315 1011330 15670044 9047894 7069894 8536639 4513855 7635164 2927592 26148858 6778464 2687811 89660 5259378 1004326 3576839 4870371 2047702 2068768 6899877 11586 2026105 4268912 4075653 3964048 3966040 Androgen C19H30O2 O-glucuronide (3) 361531 1772832 10098321 2571677 1480625 587831 4312776 1429990 4754527 4372798 178342 9095354 9132381 905884 386168 17788 7390119 7125138 5075707 1434494 1594171 3075674 856307 18930119 8489442 3174630 3564843 54746934 3332577 3280120 401831 1090253 7962329 4733741 3119935 1473813 332608 9562474 218421 5134557 242685 5891072 484064 500607 916249 6759729 91452219 10123538 53780 15449286 69335462 8678940 4940435 1008056 5742159 210559 8847827 745782 3439052 6162195 9006901 13730350 4083104 41330609 1587479 6755994 434786 12599326 2621839 1394245 593299 6803028 4757164 912043 8659911 14903590 464615 164892 31763555 22928128 2394934 4013387 5142431 499180 2044322 2023336 2367638 908340 19132309 158442 4478447 7161500 6609157 6730354 6542298 Androsterone O-glucuronide 1032524 966267 4995080 2200357 566074 306023 2574453 1336813 4983216 2238583 81820 3582635 5547175 1681580 183219 50337 2958159 2547902 2315961 1532285 2012423 2176724 281999 11052107 6874672 1498086 1135889 18341292 1080956 1240715 3260278 402504 5303507 2879931 976128 785997 1969555 4736969 881988 2490604 2362862 6337602 1717671 7614579 745908 2756764 39209280 4137766 76294 6912683 29773490 4030832 5008496 415645 1880993 829744 3072668 104602 1443011 2272503 6832289 3642198 1379044 18427101 700470 4282695 3305489 6213577 1244883 9956196 440169 6409271 2095447 6275271 7114611 5572492 3888613 1994058 11294461 7993944 1398228 3117343 3642581 427054 1311929 2918386 1268993 1287038 5658336 1976397 2209741 3169321 3019633 3070541 2953425 Androgen C19H30O2 O-glucuronide (4) 94219564 169023535 378787686 149201313 44096372 31750019 263726100 156980357 512669191 131714936 40781844 68794666 718568812 167714346 41012464 324457799 137259458 64658485 389199706 95166734 288565944 472251655 145075578 723788478 502117242 84642514 167763113 457587095 113405242 75694982 291256154 119772793 703186072 305981546 91140806 106623204 264475030 364429662 106339200 358186412 148291531 747869617 136754941 455547419 124511585 180120852 1283529057 109997809 34846121 412292506 1131326955 654423115 531617601 28178635 59700223 103409761 287331158 206026798 162485238 342455052 1372120098 268615468 163438526 761804980 81612463 422916109 340179196 1195361690 169858307 1112666576 63796289 606657299 381752263 364443746 544483829 621265812 637668754 191864563 1771584609 576096165 150042793 403165267 846514406 108280840 309092206 518067678 147323786 246895154 389446572 199838275 241954539 278926769 264803698 261055565 260234072 Androgen C19H30O2 O-glucuronide (5) 6511087 4215753 15406866 11906790 3567209 2853264 7904236 5281196 19359891 2638903 6540630 11797887 14027156 2719116 1856192 10754235 8745361 2996512 9721562 5028179 10423164 6483760 4065968 26911914 14940970 5136820 3440087 17005786 3037194 5429537 10681280 8494949 11572199 3774063 2292942 564510 4743903 5297954 1406268 3515127 4494488 24217895 757645 11844028 2209593 7643390 70505640 7666205 1550589 20129701 54505350 13874315 13176835 2346405 4604766 1419386 9334103 7609039 4382462 8519911 20242757 1321720 321135 28335550 1021896 13338250 13446229 29472604 2565441 15709672 1355994 22723544 13926981 13598177 10647172 17460302 3123882 3901293 13055277 9989510 4247363 12198231 16255625 471160 2096475 7896725 5431110 5381225 10903622 13057265 4752104 9132058 8175452 8297108 9250626 Ursodeoxycholic acid 3-sulfate 1093205 1745661 2475662 863888 191004 939151 14453 1212518 2536276 573254 581982 2101360 2229466 313704 174508 2324383 5170224 21511458 866927 149828 55110373 212741 19951088 1591264 832665 1637641 7758209 1142183 5016568 1240975 1957186 10980724 466330 1475152 202358 373753 1113030 1431598 122647 1825049 1017757 864387 2242423 1974576 2830652 2317104 1617202 1314308 6845255 332001 1840614 928941 1591901 9113840 490573 512363 20658 3651985 131430 2032759 1853977 847530 4611255 1751251 1085961 941839 402359 42136 3452871 170731 650229 335419 2093138 185376 1265028 60072 1645439 2750081 17392876 384909 3069116 5738367 1446308 61385 230013 642645 305827 223227 2133842 1546026 1382016 3279928 2453608 1965549 1863752 Chenodeoxycholic acid 3-sulfate 7315813 1869002 16572284 1559173 113831 308780 36663 3893597 14100 542508 1854299 2016628 8673506 4639357 168087 9584135 13929 568207 568541 572972 5760288 42247 19357546 11529 5751881 195736 20777955 3303928 23108797 84606 4412838 37944760 5261827 83593156 1826578 1056792 3976974 11512846 138585 7083517 2315701 13388293 5722714 3628311 3435497 6574225 4608423 10253314 1764988 5459363 5160959 947950 5538525 8832988 3953 5637398 449997 33512562 794998 6929823 5531170 1335500 17054783 2711357 3151330 47839604 1117684 709977 16974048 1449400 2280818 4340466 4398949 774284 6903451 2894709 4530063 259053 81322421 3550612 14840417 22012537 11282890 2032696 10378030 3234366 124394 295663 2483161 4860902 3859320 7341900 6614704 7194776 6395146 Deoxycholic acid 3-sulfate 7315813 1869002 16572284 1559173 113831 308780 36663 3893597 15876 542508 1854299 2016628 8673506 4639357 29182 9584135 13929 568207 568541 572972 5760288 42247 19357546 11529 5751881 195736 20777955 3303928 23108797 84606 4412838 37944760 5261827 83593156 1826578 1056792 3976974 11512846 138585 7083517 2315701 13388293 5722714 3628311 3435497 6574225 4608423 10253314 1764988 5459363 5160959 947950 5538525 8832988 3953 5637398 449997 33512562 794998 6929823 5531170 1335500 17054783 2711357 3151330 47839604 1117684 709977 16974048 1449400 2280818 4340466 4398949 774284 6903451 2894709 4530063 259053 81322421 3550612 14840417 22012537 11282890 2032696 10378030 3234366 124394 295663 2483161 4860902 3859320 7341900 6614704 7194776 6395146 Pregnanediol disulfate 3943 12499 37595 8667 3943 87660 10092 7016 19822 62710 5263 20878 62311 10518 3943 20612534 6416 28309 6101 46556493 1601405 429386 3943 3943 3943 3943 1130411 18639 3943 8266 13982 8707 8878 10676 6023 3943 27269 1128109 3943 59916 5988570 3943 3943 167791 3943 3943 159537 3943 3943 3943 119452 10434 3943 3943 3943 5493 143242 47882 3943 7972 598137 39151 10538 3943 12398 9440 37159 29793 2018197 3943 3943 3943 14199 10015 6989 130939 10533 5859 148885 34587 3943 10703 7200 3943 3943 3943 4542 5166 297727 3943 3943 578644 589285 436589 488264 Androgen C19H28O3 O-glucuronide (1) 1561187 1675496 2964628 2215335 258527 979694 2111098 1326429 4194033 3408141 1542005 894537 9799366 2348621 55613 6017303 2774080 637728 2591177 1107982 2855104 5424657 2262587 12357739 5878254 2620348 2783066 6371580 2083701 1319364 3047231 1779463 7896575 5713752 1253974 1371730 2645025 5166788 1242705 7498101 2813091 13236827 1225297 3602448 1763290 1614640 11284786 1345874 1535716 9348083 12401923 9983661 5139675 1521942 1158033 1985398 2555254 5759940 1878003 2201418 11653251 4317796 2750062 5531836 1438814 7699576 2315677 19007261 2276835 9884733 792206 5459810 3501628 5634393 5060560 7352307 7024693 2931075 14769220 7482797 1243422 5064185 5050968 1650259 4828886 5484151 1623705 2020351 9592112 2171144 2669501 3640206 3463694 3415520 3451365 Androgen C19H28O3 O-glucuronide (2) 2699238 5374219 7555194 4060276 1417085 1044708 6584129 2425250 14786107 2434696 1853223 182134 2376550 6026864 1344324 1777796 5171444 2877137 13140972 4154014 4122916 5384911 2780334 14200600 11266771 394041 3961926 17799095 870934 2852280 2149283 3390007 4064916 2632400 3780672 1568308 2377413 3128236 790321 2765175 1716864 25009905 2885401 8025436 1018644 4414788 28592703 8741166 401733 9396621 20081207 8512488 11898358 687815 5440691 1593676 4356950 1829363 1346503 1183324 4919086 2912835 1546829 18227381 714670 8214695 12180335 6031781 1725483 25205251 796816 17817020 4952866 13163008 21096150 3176130 4131173 2112565 12157619 4002510 4705163 4366949 12831040 702425 2492177 6833645 1394957 2076579 2755107 2671211 814536 4539024 4258040 4778917 4315102 Androgen C19H28O3 O-glucuronide (3) 11114138 15246047 44723745 15086779 29017652 9418136 111331300 85893647 45019177 44353444 23336704 26497455 19775220 22032232 9251184 20758009 25733639 16480312 41280608 13370049 55366945 8243526 9508120 6410023 3479985 3398927 32018920 21992415 19865523 7318389 17168266 10417533 24701145 18232923 18218889 4494059 35282979 14480456 3686532 8465587 29811608 18027158 13632433 12806461 15871980 15728929 16679456 22322842 5227375 56712061 23383268 8219009 10838563 10791729 3419181 17132139 96972421 12148968 11257851 8073063 60352775 13267515 4659933 39237763 6522123 26990281 7608498 16169071 18178593 27386591 9439122 17095078 28560398 25940665 55394144 47007956 51912503 22355865 48436006 16045413 21059140 85963109 81908274 8939460 14125794 14857436 10048078 18939286 12056398 17324329 9420464 21363690 20415339 20198153 20105318 Androgen C19H28O3 O-glucuronide (4) 16227753 18516615 34201007 10328235 14288770 4904556 27582872 38686274 28114899 28367275 6238009 10118143 57206307 7305634 2723774 20041345 21486729 18916156 27590620 37079723 20811478 16816503 11674399 16926432 16449406 5700438 27921139 65359898 45962216 5403349 79984783 22517809 63322220 100276212 22063542 29337679 27332307 79542044 17546438 28788426 45221603 53367116 41877689 34712271 34213592 12914744 52710312 19000812 3332494 67010435 107583169 23015924 33082578 14917097 5601450 14081536 30683234 17908632 10500554 61776983 199064005 21936426 13542985 54607370 6222336 85766704 7703224 48601664 43962472 52095011 14681157 28052155 25613416 31526271 54791207 46906154 99769878 18399079 184562031 57538810 41493497 202320029 78526635 9571172 40689560 36934739 14638792 13306870 33145492 30902679 24171603 32053722 29280960 29524542 30010472 Sulfolithocholylglycine 2242421 61434 254150 125488 7372 4387080 29039 410646 100336 1010360 10515175 254919 1589406 106809 7620 1038826 3429600 677431 734223 333346 48920 22262 26078737 10742 8882 8029 27615470 6443 635625 1507467 346889 1261824 63445 799723 18076 89747 76958 5397 66997 800470 46478 59711 462886 162764 6228 288233 645761 868911 47435230 419949 558275 56038 7374 5160318 163785 11967 449401 18436287 53225 4836 581490 9360 347581 195647 59544 2008126 4836 4836 2956429 29412 78398 18420 8915 4836 49679 30932 5699 16085 2300227 34387 1653404 1549386 10022 9372 324916 4836 4836 4836 4836 199579 408089 1171716 1038146 1015224 975783 Glycodeoxycholate-3-sulfate 1222597 8148 16980 6317 5772 129362 24485 9142 20277 72031 793480 180811 8804 5970 4851 112071 29379 10809 11473 164845 366765 91730 117139 25323 1072060 7111 848052 6492 828886 18530 478656 417534 380219 2949233 80621 102449 123748 824956 44211 508173 3726 1123984 4271 116133 10018 541992 368875 8592 16049 12551 322891 3726 117871 139470 7996 475661 5962 298057 89168 7832 16911 106969 1016128 210330 194504 3242821 100209 3726 4270 53181 5293 13706 177572 21434 724870 96150 5607 5120 12135 254263 4949 11213 445492 147649 10123 181241 3726 3726 13555 6195 422591 5452 9173 8275 7054 Aldosterone 18-glucuronide 660067 66259 7420 11511 277584 628895 838764 852222 28780 305600 54922 37420 801029 553082 596091 12684 134534 22509 13149 38399 920637 735508 20588 7831 1313918 634818 933650 691340 6219 61722 8943 16697 14107 406407 27401 199422 5197 216791 4483 6600 6164 46796 621608 5992 174033 9217 2649241 4973 10531 10527 117274 1864575 15992 175697 369663 148703 387225 287009 26018 126568 113444 5037 20211 156023 173754 10252 7075 52947 93213 7576 4632 12557 39805 1009600 20109 1060444 6565 32262 11168 45822 247119 32110 572338 4656 43043 880436 23594 308761 39949 5599 135829 793522 707817 785989 743618 Glycodeoxycholate 3-glucuronide 42636281 129994435 34315108 11290226 6568306 11481076 5940937 6012951 6333062 67069013 73483328 67180663 7443289 3586343 15278085 485650016 6767419 1596208 154668415 29402590 4678051 4386799 136047647 870848 20926703 4792530 59828846 6558417 160474774 48329088 5543578 258541211 9102665 14162814 4631345 1715895 3089797 9386968 875364 3928513 1463867 20960689 743525 5596897 2619541 4852235 9455875 6672676 112668425 16751095 7317750 3333548 6904000 157874186 8850019 11040659 2577077 653861117 3405835 6245558 6500913 5685937 4097457 9181456 1878915 19454211 7243867 5386883 6851831 3770451 2857351 25150474 5186489 2281851 9165452 8047816 5627656 1124868 34124707 3102722 5496357 4391969 6487500 1902939 2568300 12358832 1655810 2683938 1067314 4036277 1921807 31051783 29568149 29046219 29168037 3'-Sialyllactose 8912497 5600921 3491358 3642598 6998009 6919941 6519617 2721418 1552542 4864036 7528318 7103608 2625165 3479154 8218690 21810835 7145286 3244795 8190663 13372057 5752997 423317 10669250 5861381 8414679 24135103 155819670 4147444 5039235 3212729 422368 40593693 1249184 605455 37369405 1339000 5076843 4038575 312132 1462514 6027584 1982260 3844691 1301038 1478360 1590854 1641151 895336 5691094 1472367 1577159 5569437 1208404 3804074 1277046 4863410 12353547 1712083 1042463 865410 310565 1500261 1723835 7735837 2778176 3345801 1278872 1751111 1300198 4033864 673799 1620629 735421 3608511 1714560 1495232 775849 336794 1253882 6174297 2006902 2335842 1809732 1338663 1376177 1646705 283957 1617857 2484442 1916943 592128 4126036 3623810 4332381 3896844 3-Sialyl-N-acetyllactosamine 3133667 393475 1490794 1114345 998033 1077559 1607267 718838 1051862 2239909 3001795 1586096 2055599 699261 876649 9983805 1613917 1293865 4044391 3359031 3006062 464329 2137247 819595 3800823 5452036 22865463 2239301 2860685 477031 468292 7781274 1197829 731019 9765449 497291 1845787 3023922 388516 953515 1308170 1180063 643643 671316 421109 582047 1070354 332687 750147 338865 1230887 593045 539432 949827 280684 883092 1694247 436812 664542 144877 821900 574463 114984 2798174 496421 1240018 578395 1459480 735483 1303356 579394 588282 615674 990938 1335814 715266 473587 434304 1246698 3504023 303840 1633576 1100174 723663 495633 645590 170516 829273 539292 501745 242670 1028308 949043 929502 819378 Pyruvic acid 10243120 3258984 10175925 10268892 6148221 16916810 16516564 32119202 3013796 9422714 13657863 7359183 16985321 3625943 4081063 11151429 19616118 7043171 7848556 3895699 23946568 15728561 16532938 8112635 4784229 13215788 63988358 34239949 34271533 2701231 26093331 9231509 27398503 40535666 7994738 26479111 23216537 27384243 25973375 18337395 17892751 23485763 20930235 28364245 9646267 13134524 16315127 15629423 20765468 30231856 21770193 29038136 15726226 18822792 9412889 23703053 12656630 40747013 20566592 48527218 42040301 22902358 24512880 12955913 10594014 19597624 24660434 52197031 45325379 5138708 16267201 15641179 25435368 7160193 11966969 22065467 26164174 27421932 43602437 14870345 19651538 45647659 37038545 27834871 30251311 26619518 11415779 19964016 26739142 25243577 17401468 17961942 16749744 17669549 18241649 L-Alanine 8294876 4074528 32830700 4605783 9750607 8190952 19023486 1088627 4684966 9241969 29637650 13586596 12463403 6018657 2867121 25479404 5617803 5558628 10094543 6511755 11416992 31273707 21652530 5646360 13573783 85003795 48312928 17004302 6789138 2472265 4787010 29003835 6846078 7890867 9943265 4737321 3994491 17209845 3651693 9277672 4135518 5443630 4208527 9955245 8589317 3588009 2428735 3295544 4828109 14422969 9788153 22305267 8910074 2275745 2845969 13462722 16204949 37368476 29106617 21866742 13705382 14719435 11471980 8432217 2404373 6911677 10959247 15969803 13672699 7035712 3445768 5935876 12582262 8705982 9735807 8645334 9150520 5671721 7345947 21438343 4647567 18344713 57010 10232448 16122481 21546407 1681796 16819338 8841374 16153160 1569539 7572309 9226285 11821268 11786211 Sulfate 3033191757 1280192826 2092269247 1828099227 3017938940 1713477166 1156604017 1152423083 1784310828 887604431 4165991043 2661011020 1508860752 1903893287 987815760 3476362181 1369327640 2596820194 1917691682 1572706534 1021626200 1176107008 1628594641 605400631 1918487113 2471071324 2273243713 1275085127 2205154139 2205087924 1754107450 1575994226 1448451029 1827279515 2910428797 1908924763 1659872165 725856795 2718968843 785617006 1561817482 1255874271 1660006086 994652247 1864867140 2849129276 1338169750 1622702801 1035689977 521392536 1091194406 615316641 1049756247 1023074973 1195445815 1369682848 1532204047 595809628 2646717939 615786656 425146467 1881718312 1941637333 1106793925 2403576907 568712383 2273227696 518131899 392639406 824203809 2682707195 868678600 1161555014 841376614 1797635790 539237089 1422943621 1172722891 605672143 1775681787 1738293322 268095824 909475374 2597559111 754185539 1387986867 1906285051 1737266391 550710627 1723596566 2147752640 1515152228 1464121629 1526104394 1469359669 Phosphate 405072073 393454406 1115710704 896381302 296592048 364845 2624036 634870036 1508727923 1375022058 4736965 507855908 1161858351 405150399 2238109 1575193040 690842334 669007920 2265817363 1349911351 1576035115 1615610234 995131347 869397348 1435282280 2526256082 194722651 1455751142 686138263 506006860 884054231 1438425864 983551873 935200624 294548113 811514653 438985820 2314162908 152857025 1331368539 471344586 859870102 721116870 1456033025 1061730667 232668220 1530431769 734057932 235592566 689617086 1615990562 1083885243 1079487731 179134326 353800815 415452512 673418488 716144425 738764053 508869082 991757549 34106227 527344476 214025327 483982544 687302023 957659459 658247405 745925109 948348545 583752007 1136791003 59303895 880186730 1483526549 471496524 530360738 1219494150 1243165352 2417026965 794443455 610597070 1134702073 1210061024 899179250 472524354 713337255 739927143 431063256 153721062 170119308 916755876 912884866 940461209 918754259 1-Methylguanosine 593390573 411950178 792226023 383574516 264358450 713986397 471699258 564797562 749981057 65365959 521052222 623659593 310071611 848539684 961233880 704196981 508772009 279223114 886139016 328723667 657387546 597412106 1170359330 453330402 171043706 771532438 343354006 767466170 399863333 137475234 674444911 300438753 771881872 608227100 145362075 351660708 679808752 1055754568 303154082 764676516 307544924 1146793018 378702122 762016793 463658233 532025990 1326212515 427730756 342382905 708933968 1168981681 537383350 759656069 476663834 484725297 385462924 285750371 538858002 297506673 503840344 1012770863 589693459 429487011 1009551046 230121579 903296581 538053986 235362437 658377635 1015686167 319648249 1049774324 481346835 910151217 808958228 800038823 753884270 609509494 1039634596 960157178 378233684 1493142875 805383997 422046015 543784925 587588335 302204474 677196101 700002042 495133208 355521912 620536993 550934227 532316950 539190601 2-Furoylglycine 13424398 17014423 166944572 8560380 53794179 4998689 11179277 120636705 26218459 89495195 36064408 44446179 12577509 18630340 24498331 10794685 5304224 296056819 54730972 29456856 32243026 119102995 260165548 26310759 100809237 42326434 17971634 139250133 168960730 3970864 128810745 18017525 51771530 66137217 53088220 5462414 42203045 29108047 27684574 217307522 7347566 12193631 4315673 41153317 96580750 53503204 51184458 43373193 7445057 127667443 65582226 11268773 218479604 3969056 17700653 11538489 23315578 27043577 148651118 199941187 74680695 533997380 3133370991 917839687 24287602 296549681 145273987 318108056 49010492 324216276 41670978 400454725 284570920 317227117 101728051 4180976310 2410023032 62804926 164266236 44562091 18946454 371659654 169073616 18057265 26915857 186441122 72406648 202528538 25956314 11333174 29573338 232115016 207004861 203663674 193670600 2-Methylguanosine 322345082 142190639 227948662 170858937 94108129 376743985 389757458 212405398 263615694 145675664 318898465 267965024 149155103 459831766 708703875 589416933 305292784 46298850 377522407 183723060 438901210 156814250 514660142 238572702 51973214 456967582 95216148 317259100 123136455 32260675 192608510 116025430 322322112 233227294 30441060 148935805 293586176 447106721 111854186 248870599 151036936 494763366 222585425 339684453 177418102 221404620 436831593 158615634 107759880 271722369 371631933 309652878 309565326 159196469 165684712 194711856 179825335 219513019 93177826 144965622 391436743 223606486 166918387 329209158 84140349 371426080 170562768 70557093 232357928 477511144 92599701 371370545 169965713 456934383 343827706 186226178 213605162 271971332 464163046 336202005 126026639 553895607 330958564 149042449 240581033 211134432 112881901 284220164 347365578 199122633 113024079 287277494 260756187 259928442 257862379 4-Acetamidobutanoic acid 446078550 315143735 717881705 423465222 385281542 939492518 527480902 459732937 624124077 568518057 694025401 629183343 589834305 516345266 1442990621 422620341 375521145 531167533 499419894 573342102 1057501534 817961325 588222510 441456383 269783423 536579734 740452671 600253967 560850994 468849984 409561706 1096105089 498802025 446189191 472729414 250796128 506137591 599171149 307043178 503766949 522697777 718400473 465186175 452149034 348259010 380749794 425447077 436253742 395311124 551943275 474778124 1491648185 451114044 253929550 296403528 499316041 347108446 395185452 229942101 392276427 604904171 427471285 306401897 1251100381 182564736 784017104 489700306 721610731 681544783 692365760 291934557 809363890 410152175 385401972 606460014 595608130 513571908 443421633 734303149 719755532 349230809 1501300898 581805873 361358867 381054288 520115975 236000610 363927759 454283439 303988836 219040171 568585608 542516396 520513937 524969968 5'-Methylthioadenosine 233837456 280076056 481078524 217431575 198643634 769572200 614318738 298227591 360796048 492318062 393639016 222621263 450870619 426288410 461574913 296040934 620178604 109512612 386028729 369463016 532654931 261412389 343865399 368855197 152358715 355553230 243926295 323098543 230235452 54365382 486421048 544651514 449953960 322700920 106517215 252030468 843241066 412469092 223464637 262234467 251751640 313421476 285047004 257231689 296582721 342654517 404421285 298948659 621799373 358589390 354046635 343137439 283490360 588850717 229897480 491762775 390508142 405588346 119238625 805525718 230976594 452423530 297492569 265443889 115592906 235348859 208939016 407065794 450963365 338772592 209092027 323457837 625692551 317061585 377390996 205735954 109801375 194502104 175663017 385475738 206063968 376073775 368815854 189870433 230478836 240523492 94878068 191366006 294039099 280040934 393340281 222704695 208173667 220389787 222492191 5-Hydroxyindoleacetic acid 51038954 14489632 40541503 58304015 26530793 21971114 50322928 81734115 88991754 81907099 53418613 47899679 92895348 6077528 124699750 57562765 27534414 13474256 86396271 27094951 1738741 83195620 150103525 61980246 26377480 42438533 74972838 52432828 49417694 44140530 45257541 27327107 52615486 52758789 25330811 30678702 47753527 69747832 27529609 18171584 25071799 40398315 30863882 25897897 59808727 68814680 54151406 22775744 40166112 39931274 49098026 28214899 42364042 23201361 41387520 32336345 25818713 61522230 66764619 11616523 21531922 25662500 25642863 34368946 31144678 20276726 35963249 28141270 32479994 104952699 15930940 71980053 53499975 72760171 53887560 23314514 15518352 47270628 30911147 56286923 19726866 47991495 26832131 19497981 14084844 37950284 18679742 66920839 48091676 31730858 14637544 33043326 29692527 26967076 26408101 7-Methylguanine 1948995525 1920347123 2945992304 1906786950 1405338502 2266647538 2573217968 2238825185 2931275955 6672468178 2235148082 1896217036 2088663151 3637404366 1321247621 2602223006 2411885586 1227705225 3545392117 2585008177 2202513648 2559787645 4108186310 1982591284 664103863 3026064061 740832287 2684090395 3591838885 768053652 2982180046 1427546682 3510246969 2862765862 432119380 1406498284 3177840938 2551315229 1265805241 1917547364 2264947554 3148621519 1935772817 2510464791 1795176342 2220350850 4925395055 2175336907 1845099029 2849206724 3773390854 1052683355 3230471869 2240145526 1865285992 2072586476 1817480542 2306727678 1078326705 2061636421 1472733334 2315423635 1694984123 3008815438 762668683 3342330768 2635501736 5578146232 3384291124 2621452927 1298208637 3562157379 2213495857 2284910315 3268313536 2840990629 2299442853 2579003409 2718927683 3504002777 1499845077 4951929806 3069241323 1413795362 2134622420 2566660839 1145015956 2389937622 2931344706 1527333317 1282261295 2257905750 2236582576 2347028679 2316815974 Acetylcarnosine 429996304 225144049 657568750 308643031 163757020 60701311 466726078 153175397 353365642 365298104 213643909 383681433 76933088 539727356 469219085 191705431 276971644 64240879 531688768 234008660 90148175 200912838 514009686 464621483 56818830 304157957 138951694 746187346 107274320 117073359 265095525 209754389 451552383 230491597 184347712 225205025 222923087 490638949 153319318 465227057 299713722 761396161 214923117 356628272 160158626 155903085 765205270 175693353 90453414 727793442 637384912 166982536 604638799 96166717 316628936 162626922 258191748 262351565 136817459 256997574 540849714 297849218 186293527 939549503 179085694 951825466 312760426 501132945 307247402 778411081 99899187 701308147 265426213 931680562 502423614 402563055 284443735 258800702 840188092 507037900 166810832 268634051 429818258 151394959 177571527 788137230 88923203 192275568 269126868 218975044 215164286 330255192 281429348 278107187 345112932 Creatinine 23477698444 15152639969 24611031195 19926482486 11676801094 10656773601 25180591273 11318872255 29511240769 26756356651 18661843663 20139426600 12731063122 29948639947 26594213877 23388119894 21611704737 10870219791 29748105027 21196214348 18889358437 15248496775 32248195165 18730204499 6192323739 27768254720 15079227616 32004679629 19661828491 12403238271 22186615273 14605306561 24268370018 20382580753 17164360034 15961424025 18907527695 27550905932 11724460890 21399693397 22679309667 33812661704 15611761451 24522303921 12996014416 16647273907 35205057871 14994236057 10007798904 25395662012 30740781546 14498760539 23629640022 11262992720 16447487856 11842040294 15448848817 17615990694 14224796306 18622106795 21966268702 19407511727 8606280829 34169664858 10190598563 28332444846 18177197547 28515724752 20303253104 28309293010 12487935854 35446176408 17013940907 26725658250 28167102982 24825093990 17530999148 16916923409 27953862379 25923137870 14114657822 31063248978 23031887236 16873853357 13941581893 23566098111 9705285536 21782830401 17791485173 15651995505 14427227091 20686830362 20816334710 20714523841 21808313984 Cyclic AMP 63302717 43850884 126545331 24561730 27915163 74513758 122069142 109129031 94376019 169814196 49769394 76165397 38590318 110959880 97773274 104307396 99906346 44274969 122185937 102588746 116464330 49445715 214115405 79915798 10980351 138710353 46162944 109001314 70383194 27890735 124681899 28989868 161266132 120418784 25141675 56319562 67856299 200847706 35728201 112811064 109134474 152262612 59084590 93488263 84180769 67183854 104387165 86408948 34576052 95086271 123329744 81940220 102207471 42802526 41476594 35101484 59041153 76390146 43744711 67175723 115707984 67569402 47072194 128145453 23395846 135165041 76152070 135711469 94006059 124485617 43481420 117723803 74591411 98031235 63678791 86506500 65974070 125622149 118251482 92775719 39865559 200575084 109430277 57662771 74470598 60201162 55453028 109019497 99825161 54606127 44850134 92179938 86338868 84169003 79219564 Cytidine 14344451 10993698 34984665 19518053 14891623 20598851 25007726 18952604 21073029 21283887 17165722 1230177 28169338 29306901 6247170 15120916 20604075 12593454 22884148 26516387 28106433 19549207 23824258 17227181 5799520 27271359 17560870 23294234 16362939 9511370 13071218 376759 19995511 23024419 12118609 11267934 22660794 20614343 10145274 20880727 22887714 29175454 12277245 23856717 20915158 11814539 26004628 15221940 17506026 26530171 25252491 15640039 26971748 17804235 8539139 19523340 21546744 11905743 9578471 28296185 27731531 16386076 10124239 49564980 10937401 23749548 15763880 26637027 16347760 21869035 11251814 29388789 44990195 24783333 30891125 23163076 13376964 17934762 23656979 27251311 14421121 26432122 19156460 14448989 17493167 22812878 6536836 11001397 28842583 15339853 15981222 16553421 13194306 13472843 15484380 Daidzein 482072 13270836 197520632 1070760 10619144 19323 22845 8399002 115393551 78086200 36536536 10030117 19956 97121 131874 17996 3925747 86650179 33705 16857037 8023432 38868398 517601 17996 25736 73878644 88694206 38192678 11775980 65844 6840207 90264 3663356 34998320 806268 214783 16311162 14992280 11230294 20539237 2569019 2020825 495391 314291907 15549576 14204000 35282746 3001323 323840 5573907 25999391 17996 2359165 17996 19569 107191 1083816 789089 939360 1397718 4975775 2413459 16300299 6035026 221374 8269744 1347393 89473153 33309257 1663518 285156 50400057 53870567 34443281 87921927 137181 1857792 1040916 5776218 523009 41011125 71081707 13273758 26467976 110526396 9784909 30776351 290425290 11975921 882245 421473 20066258 17185807 17339857 17554959 Guanidinosuccinic acid 31929713 12003998 40349416 35100724 7492922 2764357 19574509 19978146 23977235 9243624 18729145 15553811 4494540 14328980 9087949 7570970 7822756 54786958 17670814 45365208 18756193 13577623 26983590 13744502 2749768 38468962 35452726 25282184 15214488 19096534 39965309 15220711 15541446 10915379 36628139 6357483 21105127 13407136 16769416 20465255 27326402 42282645 16388403 15686682 20195294 10252981 29871766 15378715 2346418 20614444 32889543 15046169 19781686 13190923 7226320 20604434 31190741 14128276 21146036 19028294 13194056 19868789 9265149 28423755 11487567 13068990 14140952 14460349 20002727 28722101 16382588 16370882 25426635 17328233 12845818 30466294 45379259 18004099 12466072 58516072 9127302 35837595 21623105 27704165 17342971 19474513 15814588 38821310 18833603 32206723 11668390 20348661 19388803 20099661 21400938 Guanidoacetic acid 41629107 112360064 89974949 11851386 11348536 8574316 33026120 76194331 187746146 23518010 73994539 245268799 24234865 61830957 181190020 203848904 53189606 18652980 48190214 39976032 83023002 18087836 168893188 51343379 4724587 210125799 61478164 396123283 87995276 9881429 184795984 9605609 336453229 179253218 15510533 217989209 37190608 717000219 166004164 171125915 61605812 119525138 128203697 119361844 199280955 74309200 155393780 148370868 38581366 144788059 223050274 74318050 151950491 47356921 16791720 33382459 29351919 55363534 256524828 228202894 262863630 382644994 79816095 193299087 127842619 121318625 113674026 201816264 235257643 237269015 112132694 235152957 210271598 259638204 44666101 121763616 329638851 80706693 143779025 481907043 62461568 311997288 101594244 159938492 188226941 221660701 78928801 308816172 270916204 294961397 71966194 134712953 137837668 130544783 143364681 Guanosine 25671376 7550519 14811493 6544248 7526846 33385200 43252264 15422680 16118154 4664913 23628190 12383962 6148983 24875076 26939772 26374048 30053692 10041510 25838216 31293720 230245625 17436872 37990218 20871606 7178833 28812275 13308828 13018244 12575717 2814940 8358232 1143879 18512373 15759067 4301040 8706611 37319014 28317116 7623037 23426647 14609673 32073959 21591108 15150928 8016739 8359419 24416410 9882910 7198706 23957783 25112033 14796709 25364870 9091114 16046893 9229305 15685358 16475390 8334213 11023869 17165244 9852317 16303721 29780373 5673463 13544332 12677913 8356063 16540216 21168847 8656271 14416692 12347877 33869360 16864256 15956278 23821878 22768370 19037226 19500274 13003827 66308456 33316410 15725741 23402577 16848552 7003518 19929493 13656048 15886318 8453300 20164723 18263980 18075622 18265045 Hypoxanthine 3923973119 1571777229 1558698816 853866427 430532945 1044583178 2734078367 977468527 2116749306 4311604093 2188207128 529584805 1511019022 2584858661 608009161 14723166131 3027931930 1025068124 3684955454 1940434992 3976778690 1111907970 3342806491 1017534139 568924817 2703174810 1072514367 2034971370 880201121 442152479 1154320513 247394866 2360731175 1584992232 258622872 1556859471 2096543523 1215820571 801019622 1302844539 1874397666 3488769597 2596360059 1620749593 761605485 1361206384 2610358206 1280101087 816390123 2429731986 2134501111 1223784561 1694914293 916597684 3458531871 2046929277 1230299158 1108639601 989430610 965177940 3303530390 1400871643 1386064799 5311723208 776169327 2749234807 763898270 1306524526 2899883676 4174267422 673203211 1201290350 987530205 6203811640 5398764820 1245271672 2134312989 2304758910 2606616140 1270407210 595712026 13224764758 5829316407 1049083250 1639946287 965174136 926583058 3306503338 3762742529 1670498089 745996360 1782640176 1895876909 1758107910 1869671838 Indole-3-carboxaldehyde 25076637 5656642 18955294 7336880 17197829 20206470 28516823 27464358 12976845 19730837 29924972 22693278 11116196 10201211 6558171 13305974 15688382 7146305 5450977 13046456 27201985 31993001 20258912 21133149 5023831 20784196 5072183 2925101 20924419 10750652 7902221 8246836 18146878 4747652 12722243 3795577 31861597 4654819 6456014 2766591 15711359 11245632 23097211 3452056 5812819 7956553 4613130 13079254 24262672 12203241 5568476 30158598 10629035 11654283 5300852 12731851 56682258 12054253 3803693 26453000 13652690 13902753 14312459 20833315 4240805 13147157 2936691 19415109 11094302 3247361 8787464 30409155 20162136 5976580 13183250 9731921 4250124 15009898 12296160 1792545 28788928 61748453 8867331 6694612 11731644 17220586 5390703 6048275 30694200 19563596 12629021 20329707 15907374 16094561 18907829 Indole-3-methyl acetate 2472302 868728 6545739 3694954 5487837 1808201 3541696 1507479 5164497 7454959 1829614 2579035 1300898 2067647 8475182 10450329 9252326 1179650 2311871 1593481 5465370 1557686 3396559 764392 655008 8852532 757945 5498804 3024662 936776 6725881 7205469 4040886 2787724 1030078 1995032 11886830 11217713 6939431 1115738 1954781 3521059 1408239 2743143 1702254 1243197 5670565 4001191 19462274 4300521 4852174 2461019 5341919 54427985 779091 1145618 1772718 2331966 887170 57570746 15144074 3567923 4626581 4827379 315932 5650499 1471392 6051058 19072985 2927841 1790572 5644429 79713183 2428283 2149464 3765458 1225823 1985894 5223780 3793283 2116188 11703128 2407582 999712 1722840 7538436 1316764 2418048 18898609 4631093 66191488 3284748 3332170 4087040 4364975 Inosine 23975881 2771131 16481134 2740709 2711016 26006539 24746937 17366346 6410845 2045800 28191781 10695225 4958061 25503199 14696155 61276057 35998880 7682767 18394559 6872385 18804905 11340188 42794843 11569222 7658793 39000703 13169128 2404633 9366006 1323378 3884388 552027 12491749 9257380 1397780 6205807 44098471 20642139 3566510 12626344 12202313 25236196 12906044 2070107 4340160 11425454 4257795 3596137 5424542 15640370 8156043 8471872 12169285 9433577 13035253 9953957 16104062 18435404 5464387 6799630 8170916 4019550 8026170 1472793348 4204901 4594174 6402174 1494337 6247762 3557188 3920548 2463798 8241484 31266964 8200674 3910598 15088588 11603679 4250344 4635662 5969911 71697080 26273530 7217523 15369018 8488482 9323296 17958958 9504330 8077114 4574801 16792286 13250984 15814147 13590355 Kynurenic acid 1425208627 824908378 1722727514 752213458 485204697 317539931 1224983669 631834926 1142348630 2294882632 1345203979 1027173954 1255983585 1551999771 3320850876 2055935103 591281654 380092035 2054080689 1854593062 1602340796 1280706653 777066323 785437737 665072762 3845054462 1069770655 1369287994 887519827 789239906 1332705153 1551614889 2236261129 1071373469 864178049 695293223 907156738 2520777096 454855072 1449166355 1373455190 1835242698 560783901 1876320745 803173602 405124439 1763498975 511233523 316257472 1388902545 1504851007 211331946 1333813285 210393214 686072818 986905979 940817767 774866386 633843166 1205165233 2183068421 1451305585 681329769 2090232772 486645745 2110326313 1001228804 2171156662 1450256088 2690042543 440034182 3006334578 1036538377 1714423387 1493619912 1179845002 1365576311 954960358 1705452794 2120707386 327967779 3314120923 2041335338 778610288 1381782460 1754939045 644555920 1286695774 1478876815 1342810536 793086768 1255845842 1365882834 1172062341 1261553126 L-Arginine 30823446 18143037 75784535 10451754 56518823 38155124 33518278 40980012 36024704 62707728 85440856 31860331 63002572 12172507 56205213 117872576 41761012 23537891 23431684 27276609 62961802 43775356 22720581 19971031 6093937 59389379 220163268 33504938 56424647 5807038 14260932 39333868 29695253 25915040 25702275 14957426 9431715 77321801 6356713 19268449 2820808 22608893 21901676 18889406 28388819 13144155 23349556 46383646 19519756 12346695 26696410 35300586 21936321 7434570 8740160 26727098 31147386 27876299 32152241 16970535 13697141 16843310 14871798 45301411 11129188 17168365 79022093 18856304 7752417 27806481 5620871 35297829 12090775 23174323 32744836 15485759 18297196 18561176 18756917 125364719 12466460 27414341 18437566 15716241 9254569 46047128 10997032 22962929 10671062 16028638 8160445 36655990 36819586 34030477 37397811 L-Cystine 15063445 10888416 12173417 8794752 14391086 6657717 15869602 2115109 5965880 11545474 102656327 7946555 15509984 7250081 34732028 22913861 12786952 9651068 9215134 11106117 31611067 7183995 16056220 12734890 398173686 61271507 28162253 12504231 18038958 7022637 11009637 10981752 13776361 10793112 6059173 5948097 15566222 17583948 9360038 5529607 2753767 8656322 11576588 7946730 11157507 13212945 10627641 12176157 3380334 6365651 9878000 3106977 8434647 6045571 5517984 11583321 6919694 10104729 15651548 4582568 4413673 9582386 2485566 9281102 6113735 5336585 7900595 7932502 2705365 4853767 7901766 7163353 7443771 4158611 13267891 4651914 4423401 13879811 5403278 8767860 9812488 1406296 5028232 5861351 4770433 8342091 4951587 7404824 4229367 15476614 12024105 10629467 10224426 11426856 11388899 L-Glutamine 177293789 107698321 175118331 65744765 112123423 217270952 224971157 106642539 88951147 135730390 271710441 106107894 362056429 87453584 314954724 461749582 250812343 69617831 192732938 119799867 147738771 120223260 109653904 120330159 77368649 679788598 1029435735 120665095 111913812 49822271 125058992 72328463 106491808 131612360 91598905 120876299 107438630 173568949 59023972 61196928 82717487 141347202 74895958 91638796 110157803 91945741 130939511 97326562 167036366 168738507 130790431 73068246 140164015 97296477 65556336 125814359 157662168 507581164 119244109 133600572 120925675 117784062 76115375 124473723 67346212 112085556 83615799 119702456 106588752 89452850 76022410 163891871 121300156 110524520 103878078 118027606 78944390 90507740 111825062 100876167 74951985 130847862 104881679 74981460 114136918 148001682 77465232 125114968 106291520 176824850 73804521 110279946 110174967 113453191 116082137 L-Histidine 1807482027 878355271 2155618678 2034030199 586272465 635398832 1334364731 363940577 786385315 947205463 3002059889 3078431947 2261555555 1093385161 4822113335 5064256933 1577839075 97526099 2399885103 1512624521 2876194354 1251383397 2302376951 530848248 126714269 6868147651 3785761966 2697116017 621583796 149919404 526503363 2532532919 773955818 1209974565 291481932 643763215 676137843 1935388291 113556869 1467632507 684670515 2273833834 397124877 896767234 877335091 371380536 1739441533 751423378 530606949 980505770 1806242797 1157411610 1570738367 652818236 297703221 929020224 532630663 2188558286 1019304480 609673425 1410746296 747156117 465937780 1406807650 492951511 981482763 1150448025 1873651181 959141963 1075767350 297852468 1168323631 616923832 1199501961 758409237 1318100109 298928588 349014095 1033818100 633908819 312972921 870423907 872525480 588985436 685457677 1839277270 750205945 4405566437 434344446 944739258 191086080 1301205315 1273511869 1233962338 1305948189 L-Phenylalanine 5212222577 3623982090 9651987290 2285723435 3856106052 10750102415 13906117461 4885319261 3292179888 5649045818 8252354168 7243262636 9090110651 5507981350 8911025794 6736629838 10038231311 1810768778 7243104312 5238872917 10045460730 7305935427 6420031870 5146511719 1452787171 10274222983 9726324128 3013414940 3888009347 2522641571 3887428688 4587351876 3699337550 4153354587 1739045317 2442300926 3451888400 7207103304 1176621632 3316709761 4029725969 5839848108 4186030905 5208994016 2939373896 3957797705 6136589698 2722485910 3027302262 7781642817 7007686441 7024385547 6351223107 5043988269 4313297881 8557189603 9319455850 9993265638 2360085104 3739905342 7494414508 4341575241 3892980413 6582288427 2223214292 7366955054 2180486653 8325935237 5570690075 4207289685 1192555584 3324448226 3640457716 5253955940 3030797155 3408729270 2621874734 3214361622 7678867958 3215554799 2737105324 2611768006 3898910418 2429177503 5641355492 6125738335 1680246087 5294534840 4214808956 5800816224 2150261845 6189519007 5726658089 5496605327 5472332516 L-Threonine 130429751 115668227 145379280 103219093 98233976 67186809 137917822 63449010 332341181 295682833 135730813 72562782 82097240 116559512 70804155 181529319 162212976 96623386 314784577 108673160 71108802 95511006 171693855 75651600 53016964 177892004 115132087 66850694 143417757 67111096 77625366 32098334 381958136 214704998 81837503 132498474 722540797 338153765 152110757 187915822 25961252 221454527 84702724 105051769 251626912 254012399 180789782 91515945 59806050 176996567 210239208 49313123 145466176 74132227 142327176 35121508 48292294 56547774 168295859 174472769 168359188 227207179 37523098 191729845 61975958 194450924 102596797 207212650 232635841 212135177 233211505 81405759 61124405 903921210 250248136 103158543 145558664 304450294 238291215 252536601 228663263 267664828 432783731 136618001 135599781 48804674 84680697 83953112 212346979 121495364 110024601 121568634 121292643 125246168 124117249 L-Tryptophan 4294856779 3918988193 4720537875 1913205878 2267673515 5619860354 17078711900 2329817548 2318301239 3580418637 9292035563 5957999949 6726595234 5406901256 7357283721 4172061397 9305358995 608605076 7169393304 4153098086 7191321260 4917010272 4083689803 3625985486 1649494076 6429526382 7371795147 2220291570 1717163858 1546321531 2901795052 2246923459 2098966753 2675146944 970350275 1633457276 2227317442 4897297774 749213499 1863639971 2204352055 4038216491 2211425047 3203397719 1959393239 2278492987 3895945174 1247977566 3303104268 4208231688 4755655079 4745748966 4634073076 2958367015 3005203930 5471915547 3549726111 6021950816 1373368582 1575808632 5243743727 2913969874 2069303771 3812982434 828146335 3760265198 1418232279 3056752860 2339967567 2837523321 830914384 6450748271 2435306991 4733893588 2106280717 849103985 1016255497 2293215895 3120177304 1219326187 1773653089 1428523618 2409267689 1570023325 3093567578 3417204072 1106434227 3687613089 2638526163 4271329932 1423034148 4392501840 3756534188 3960781527 3781788275 L-Tyrosine 2860860225 2635084117 5975547761 789500734 2139287339 4072635201 14423680353 2238774752 2019370607 2816933816 6287752274 3059703598 3979414060 4134306698 1895137587 3368384494 6583701264 892105985 4380674304 2330445955 2859057735 4663097215 3089542254 3109268315 936698239 3729299201 5864164980 3214780205 2035900091 1002329302 2296046006 1114379836 1795979749 2518413082 829127030 1527543091 2471566347 3729246740 652335041 1850215719 1913817536 3394647253 1965187936 3218834503 2275570374 2448433828 3353697620 1914169899 3192995444 5075795262 3708536489 2359024471 4416112544 3865792429 2364244048 3773628167 2742962906 5863181387 1432254164 2324027073 7364910885 3042686170 2612278670 4503813091 992083253 5890296005 1828519421 10529870509 2706726898 3385979308 797458464 7543220941 3093003335 4129604768 1837717270 1792853847 1503071744 2508111972 4334454118 2181514620 1706574298 2003952983 2343175674 1431743732 3328169260 4159002018 1081383601 3379648808 2425378546 4033141232 1297432780 3517301830 3254072978 3281702515 3221006907 Leu-Hyp 262723976 123999861 299343757 135965924 77980636 649756964 372068639 239513446 277542038 694543158 222026746 501485485 595808401 906061689 609959726 192340547 250576149 68338797 537185672 219160289 1305426366 130554893 638626000 501548948 31028593 517225936 154308246 289292445 181152691 30872374 227248750 235214875 500306615 560043614 26399845 133931305 205759790 966484417 91877327 229573027 189483518 464888888 209496133 243016674 259646249 252816366 741265070 162289679 217170716 440750085 609372278 355496258 264435088 121541505 145897625 595744711 139668240 892620260 171738522 448779868 508392489 229103039 172357077 231274927 47705709 207637423 213426631 728332471 338441740 415698803 108718072 466962754 239570225 298506239 217857504 437047696 189117827 377229840 627802099 299723600 72880654 239272288 120578441 178556253 236405254 893401518 79878476 222175086 207736546 187830465 102322920 350304246 320884909 309638105 305349782 N-Acetyl-L-phenylalanine 20618100 10844956 293844625 14838449 39877588 32565415 28971725 33157942 10692033 18516749 74732656 64140554 177465492 6891322 24966605 27397822 26565742 79901987 12188640 18658733 130174 98930573 22248650 12723663 17459554 114486156 63156639 51636294 66317604 9561523 36148404 103157700 37885385 35258451 59570877 172506 12121594 27504282 55065434 40059392 33530403 28685128 24087278 42088048 52027946 23873845 8725646 38249241 16998972 20824452 24596770 34015865 42101666 18157686 5167265 22159970 80023602 45703113 19783007 20890228 90412201 23010906 19519516 45160147 11048645 39902945 8929754 64925635 248035710 17018548 19452404 39238208 23460787 12933932 14694758 33968559 33387250 34537614 164289616 51864214 64242579 359184891 51622915 15865572 28602588 41018331 16486496 17569094 35905910 63791309 7882859 51161381 44207170 43464145 40835267 N-Acetyl-S-allylcysteine 27048 269342 12862376 693871 11490268 28826 18335 34627885 219233 33723 1612423 50288024 32868 27520 26826 171791 17143 8526011 23919 231585 773811 9394556 5794099 21717 11169 204362 14204 8775643 414158 11169 13441088 11169 7090619 2379141 35967 59486 31893 7696371 50288 5751287 16997 305604 15017 2750555 79493120 1556598 37914200 3269271 130745 10681778 37200117 98265 43125032 11169 225034 1615073 117764 7885069 4709579 21775679 12708589 18660533 6668482 338854 30262596 79354078 58285 15529023 7800986 44266 11826820 4876714 9566371 3344794 1722537 401449 16427875 2775494 23490093 6934472 25251890 1382531 611509 8444374 14389643 36904638 4453696 69647820 5049892 22705 2711511 8442767 7233047 7255112 7328980 N-Acetylasparagine 195333914 41254618 187918512 103410786 106083706 100631915 86771912 27019940 77325849 170115788 196360981 39241272 58276734 60951732 93353435 168049132 102178460 47506588 143286744 123467437 68567044 143416300 70494850 48903832 53375655 126536347 123760361 103126137 82687128 120140670 44161411 72131055 42063482 59332982 225278105 34837249 54737752 108154211 21897741 117408888 85828207 66307030 55448897 63449141 83870473 47541482 108116456 75198803 40197328 75721738 89628197 29559105 62251166 39426942 38805856 32706149 74956911 57375798 55869471 38613007 59685911 59328397 27704004 64264026 43509113 83697372 59698123 48941149 89199549 70576510 36474235 96211030 29766574 68106576 76949175 27818602 41486781 43827008 64612364 61356614 47192158 49235786 54452087 49200261 35620062 50787916 30391563 76869827 25755122 67254004 16347222 67128418 62477851 60499063 64155584 N-Acetylaspartylglutamic acid 29696140 15450730 13405900 23601902 13106430 37910147 28817642 15484266 35271329 40924003 33507463 29323864 20825392 37615811 16185695 38419186 30285407 11501696 22055474 22950065 23041259 15820491 39157693 22780955 6322861 28853700 20159044 21770463 11273842 15437987 39866521 4715100 35974035 27819661 11385159 23606115 31353905 71813781 12400675 22302073 21385672 25633300 27250722 33395629 16771231 25130073 45395261 10962930 16569929 33073631 47854054 22683882 46525505 10024995 26449142 19202122 19494715 24472690 17380583 36676746 40323100 27883619 27087652 22476638 27526008 22347555 23737980 39891268 21339950 30320328 20039650 42521288 33855071 17445077 29068250 38652917 30764421 31179929 26435783 64589922 14931055 27757921 29543297 17832086 24403609 25478336 23471723 37919561 38734188 37786823 20113518 28848351 25850391 25969956 25936801 N-Acetylglutamine 77582950 97910912 152493119 53905200 79740863 57283778 72332951 36256725 68982305 242587956 82682251 38330526 113057471 53989716 102558799 262257013 103363696 58738321 138155976 58294644 88021478 110272580 167784807 78323434 71929569 179172722 220908744 141069081 120010023 24373124 87123378 13684998 102544163 166823067 24092535 112635733 47921341 178571280 86976547 204104895 99029988 98432862 54746198 132201172 237378058 119876821 76969091 101386764 139428857 96845545 110069796 73567192 116746688 132966301 58495495 84040814 126238539 446702051 130643739 84122267 156667897 189417324 67797813 86099293 123940021 161077345 71367485 76450268 115188801 68092101 96156391 91009013 51084919 91417854 114804491 37482683 98163781 100362137 136314565 81467647 54975634 136750809 84602841 43326841 63031001 65891451 111576121 223413072 44452724 154399213 40394113 101292520 89167938 89302486 94714680 N-Acetylhistidine 50581993 46474252 97026009 33526230 26736819 16643629 25455707 16265885 73959540 103247067 36102967 54954701 32558044 41666734 45502496 86022032 39012334 23615058 52833084 43136661 60327129 34669441 109535936 20755332 19788381 70083283 43258412 65372402 68805193 17426544 57430284 31304313 59823812 91267153 14729838 54933246 26267181 104046920 25562346 65722079 48889252 56190626 25353702 61878315 59084386 41000627 50673665 45700488 31426881 51538019 62928093 32532924 58118921 47552379 28971926 25280579 28875031 84440161 42888286 64140737 111188814 68036463 20472002 59724576 29581441 70034196 34504181 43327443 74534831 71388969 33135689 115800887 30064275 80005948 56102280 32069198 33066892 40346972 80846652 55046605 28976036 86067460 57429987 16583016 28410620 38654318 36356193 81399978 52404450 65851489 20994846 51174187 45490522 46873659 49405145 N-Acetyltryptophan 28654125 11935000 186510402 18987198 49670472 1162146467 46143986 12585019 15408089 61868203 1711471861 15776618 234330010 14322372 29884727 808951012 30905070 31284694 24594715 64323505 102680041 83034655 17914088 16857876 15852713 99848577 56403908 13436065 32120670 9560919 23645148 43171381 29991910 25175116 55124875 9275595 20043895 32563004 5424822 15970879 35820125 24890657 20713573 43265996 23815773 10722012 7908364 23640779 16380716 23119796 11539721 46157703 27072149 17168206 6083312 24081195 41481842 42019928 6631060 15939374 48751095 20011981 15495955 34638428 8408572 15678133 8209775 28659854 59594870 12659745 6837888 63890372 10671379 17074056 12251752 16297881 12089730 20626284 47933304 17895350 26389278 22747058 16050960 10786396 14996029 13308431 10656945 15415168 37608262 35923941 4007646 91145712 83185470 84552654 80459138 N-Acetyltyrosine 26302705 11939196 302706024 14511580 53575864 18300556 16941694 25506295 15990560 25961390 85740223 16602761 66573719 11287657 14607242 48458540 21588180 56053992 26435493 18184785 42622080 181475870 14730987 16931878 30425366 135045059 59342078 16517038 67454834 10546452 24422595 126468918 30077871 22622120 52916787 13247977 16574012 26899381 6640842 31670734 39449757 30057972 12626132 46210530 139821607 15197514 8398322 46263104 44531368 32031216 16670968 28630437 27871000 29591411 8347429 21312015 47764875 55739840 14264815 29455417 62165342 37312387 22950523 41511739 14735238 45036919 14334294 76009625 66969982 12634847 8358021 92719656 19280888 19446835 12391861 9463611 29236364 23678358 63064166 18132118 30914470 75021164 22878923 8586242 15060952 21497755 24547742 19096262 32079499 66784456 5100329 34610565 36941926 33634844 35529829 N-Acetylvaline 129422430 35124995 117026313 33087650 26376939 55757901 90765045 34099286 57127072 170012573 59810187 82981822 60951307 70365191 168648184 237263003 112002327 31289283 103578983 65132411 113907832 68795558 118064920 63171472 14354827 318187007 43739611 155069243 257620177 35492079 151261350 38948281 88672025 156969808 19945910 44634024 58081363 293958301 42508520 74269337 120689793 169921729 62000765 89613067 89728295 41439179 99735068 64980219 24772408 107101295 133484985 85208595 95190333 48550487 69249120 53487963 64166519 95402731 82391723 86661473 164307998 138299380 71040298 83044172 41123409 91711245 67886864 91006781 109219258 111842338 41113188 174143073 134897324 107587670 73222535 167783645 228719355 63176046 144072307 140542694 40186098 95384492 69367152 43082764 79735633 115591732 32258559 105619193 107735032 125426007 37598584 102688757 94353890 91630413 85715509 N-Butyrylglycine 69743389 8762253 60114591 15709369 10202168 30804432 23151918 36010477 24369138 43982984 41257284 22486917 30101764 18123067 46101920 126094754 48763404 53406742 17071965 32604056 96036651 52056655 49884372 24669192 12014382 354526527 16838913 133672756 146872732 62257033 70611748 11833660 75192231 68241820 28457253 13702577 21471039 185061868 25449643 17548700 59845130 39545610 22557151 53617891 63014191 18563843 53433254 77376142 2191650 52332702 69402125 36231223 33876681 9854641 34266551 17592059 36736176 14074794 77126007 27070795 52770755 34437637 22395219 60284942 23621673 36187044 53837508 44229143 57082120 43608752 32504041 126114103 131096924 53725994 20463941 348456448 62003163 58652929 38424229 217518619 60350186 57074319 21376995 99022187 98945953 94967157 32649731 43188233 65910168 77988071 42305976 64069449 57451116 54836676 56979407 N-Hexosyl tryptophan 9271748 13172226 219327949 2074580 73455055 119711275 754203427 173579455 5336174 10199355 48973664 14762170 84114357 8367142 24087094 42268567 193579468 5501560 10217608 11667872 12661967 134509546 10054288 13604588 3664723 28482695 368985956 11365357 5349821 2251983 10467899 52570843 5244183 11679321 5199413 2307134 7742709 12015028 4421073 7652095 2939385 9741154 15180072 6928558 7409971 7913839 14959990 22440171 5156929 16632477 16944742 256310800 23923592 1065496 3092956 157356038 188079379 72335509 4938224 9305903 10931624 14999836 87609462 31023703 2109720 10992035 6372800 12187820 17408053 7681602 1730415 22309058 4756480 18626544 4951781 5024196 5920528 3288478 12294211 5987692 18102092 9866356 9490172 3915984 7643985 15003064 1249314 8997713 2369405 24060613 829270 13178402 11823211 12193406 12762907 N1-Methyl-2-pyridone-5-carboxamide 7339748139 9258201753 5098983228 1590221424 5011674043 2849602965 1375984485 4492561286 2856234912 3787073929 7358944187 11734453974 10271881516 7395071930 1660232024 13945566580 1816351402 3771543067 10937208101 7983361834 2509509939 3991464177 6694461455 7371067017 5111777050 5990778586 4481526976 4906565254 1763518938 4072450484 5064842478 4387768137 4256106282 6827362511 1235592898 8198375477 6054027493 2871307438 4540987037 3551067241 5975863057 3977593211 1801082359 7136664970 3172316607 2616584809 1882341728 3395935675 1644904391 3704094846 4116898151 1711585263 5451200713 4779915155 5822337262 10171033846 8569482567 932404186 4051612290 4742982237 10943316196 7605459770 5242084840 8474176743 2311822846 6371190654 2702866569 8452284843 5474857015 8946472198 3362365006 1722093794 3792031668 6814470923 3799208534 12805778285 5113311161 5416279386 7994937030 8784648145 2104344278 9442781314 4339901677 4748625475 6295324390 5440330318 2768634502 6119031724 8098346876 2458947109 1907778282 5734578413 5464318830 5373497871 5105285918 N2,N2-Dimethylguanosine 1056269402 699576386 1508881268 960905665 631040263 773774607 1640615991 956071679 1045194784 103931593 1023475334 981834211 474554638 1454256496 1409996201 1326216667 1064798924 578806991 1459260988 1244673188 1587316016 1652687090 1482442680 869505480 290545359 1675296765 965336438 1195820498 1144834695 541378210 1027617830 946095575 1146341933 1014888223 505622539 509172495 1272948204 1589008196 479889060 1088100640 1075842895 1672968844 665851504 1360177168 730298321 803626669 1909609071 665993833 483540714 1055966336 1664958875 809348192 995436498 524368532 572603114 680127159 908656477 1221120716 458818238 643418345 1487574630 842586688 611463281 1517090665 387035192 1251602115 899558079 1452124524 1348060031 1518555704 500353647 1469476695 769400333 1308766088 1314637752 1406027841 1028512688 1000480480 1836282163 1446025966 626525779 2699124706 1261538229 685990739 876953549 813571897 468466479 824559283 926365886 609229018 474815490 965671237 1021794197 905099870 967098541 Palmitoylethanolamide 945933 1245195 1399856 897378 924881 1199242 1095424 1409493 1200137 5098691 988087 1148548 927451 1415974 899825 1127570 1000066 1390200 898364 1395782 937245 1311841 988174 1179527 892153 987559 1055397 946239 1253404 985025 1056000 764099 1203839 939721 947548 872369 1155186 970752 1172074 1239105 2279477 1326637 959071 1215160 970429 1109640 1101830 977579 1077674 850719 1352217 1015205 1168266 1040265 866964 1111141 893027 969415 889325 1270830 897905 1291918 801676 1149941 1356243 811857 1066296 1826333 1322381 981742 908914 892261 1032483 961606 878442 1074747 1204082 820133 1134897 1238699 1024787 1070878 1145661 878529 1138214 840490 2239707 1303999 1163722 1352316 1160769 1406464 1529200 1316026 1130430 Pantothenic acid 557521703 648070313 840406012 1246707917 520331079 464258164 895688044 923271786 459473021 758589464 718577617 1317995864 1302388892 1284314635 632247670 1358208104 472303415 289885410 1128487216 1144683880 2865880212 342716200 1364886292 751307407 189381432 977892535 849799938 704486869 391909392 257599479 1357396206 963274586 1108562722 917481828 152017616 687681785 604103982 1101529646 612940605 870770911 1007183352 1130060302 926335984 928342334 805439604 549089899 401647341 346281720 399345363 867518391 620265014 683552007 609189152 818491364 666582769 1249710928 1216680132 1327861238 616897026 1310679576 1514221598 768501075 734907070 2024783745 380689227 1181528663 277071352 563340887 1566483210 546931028 713759506 148379296 321898016 573197403 451876067 2363422133 894728871 1016770068 1288780762 494557223 520933488 4463247245 1248927573 1197921865 1104434698 358810631 486040976 706725129 938334089 1254051781 401269822 980970273 884453510 903968752 850561351 Phe-Hyp 196325343 132495929 176949211 89551148 168788855 361066728 402845840 208781926 221705140 431759507 163346785 329479431 228220733 587619927 350545380 216644996 545607247 49028398 375279847 195589805 811235650 235439435 435967858 356058615 28101680 445030136 114832242 242237181 226428347 22397152 165243891 135288135 353665499 389051226 20033353 105597046 140390051 481068492 71901969 264857321 143132711 298807403 169976797 191702236 175404233 204548919 607892287 122389795 132381114 238073499 467019241 230389880 209005869 93874894 102037300 344311935 100119040 737172485 112041856 208090457 349973907 156633652 103677999 98345394 25625991 211924079 153886504 435534073 441849764 353176455 82779343 258160847 155863000 267266976 207814630 77944114 164311359 264871270 530829844 258380469 57504134 233781914 118875710 149756810 201505653 406178975 74334243 163214628 163210690 125689743 64282940 268365809 229996156 235544938 221917114 Phe-Pro 186104626 82718679 78893743 36919196 36327213 160913424 247451431 68574455 208537093 181807920 69262050 216450297 29645869 242454128 178107780 135367717 114675779 36318136 278071108 123856717 187977793 17083923 241562660 118440307 25963913 136119245 157065857 210852936 33024768 17737168 124462173 54679120 173627805 219729501 16933678 56888365 68551719 412891410 43635649 127413758 67522040 388071220 214701354 153846054 116060069 30411992 289101134 67750868 54990445 315525557 247084652 262527260 332529304 31760068 72887027 109717288 88886442 78531152 57081254 130629622 270202032 185074121 163296274 356440049 66474657 179663857 134383044 398422280 188198698 304924371 46374202 403278802 128301057 268083633 168542895 231017049 167901515 135361672 181371533 202343619 65235581 146896142 184582217 90421454 101142161 307952123 24638215 74127586 140020837 144872996 60505238 164256629 147930401 153044586 144042039 Phenylacetylglutamine 8529920435 3988700578 41877226478 6160188106 14180954759 7226449254 18366790700 31820189400 11148806429 6774689619 12001236853 6231968761 8586057756 2327180422 18536557197 2677697826 14188022079 25978698729 8528135980 8381351523 7802703590 25484236459 18129891461 9517987621 5928175832 34427377371 16796046394 36062812166 27652164837 7705507617 27219004016 20439914473 15488536316 20663393320 8455683129 9496456440 12672583119 17872506918 16114601818 12436525816 21283737769 22817490894 22994900162 15229137554 12156874385 26842871588 17884958517 28986680970 2855616565 8081522395 21156284700 8182181307 20365240236 9090788657 4083408000 13428303630 6173355575 7886509625 10119512781 11103259586 26996719049 8302616835 6818069340 16664461610 5386528012 19533906952 8834964357 15347247393 20180869916 9140008745 10471743677 16912281310 20032028367 6482466556 9400171923 18551593139 19375918428 16231770327 42687437785 20184183897 29295747404 38317103512 21146907457 11108759651 15326468880 21479262045 15222584763 5877424913 17568816155 14226258873 6854057424 13888952266 11655568487 13206828519 11302599463 Pyroglutamic acid 419670378 592118778 584945023 602903120 506760117 502293314 573811944 549994230 881838498 871352841 417380112 69016645 471784474 618905436 82359603 444491495 364821019 795523648 530587707 460524210 401151910 766807963 694688708 703322651 331142492 306987310 607456168 590234188 630754621 460437299 776181931 26578758 760925011 662985513 600619045 444525616 845387935 761930495 499096770 830377574 743882413 712810823 478338245 735254583 546134884 734330958 628366392 628989477 459540098 645603201 715819093 109000580 731699793 429704372 365570776 559721508 448335462 234980278 606394532 487635627 529744347 887245528 489854170 793768086 610043575 450411999 562961588 581861070 556003371 546114688 552070893 522986764 631303905 554252740 600171347 732491485 570663803 582157764 579533416 563215890 563934355 492900476 617975918 487442305 572192460 365023110 660926574 574782484 488500979 682263668 418713069 391507673 403841112 389706963 316796585 Quinolinic acid 11396949 27326834 24373743 30496308 24700412 23574341 28640504 30621410 26027730 61159043 35533934 204699 31100740 21173864 2622169 9745051 9616194 53346207 35374734 34734785 20965428 66566140 20600002 25558965 27505118 20889889 20819735 21612153 54877987 58597037 25062208 284651 32416458 39319520 27687822 23094152 63512629 20386056 23115678 31847363 42874809 27894765 23229998 43143197 21867847 32394552 21799811 37388970 17565111 30382639 22088912 1206430 18945898 25072711 25863037 18021261 23513319 2970995 26933822 15619496 32697601 29012536 20283840 21034138 36800751 18590723 17790019 40195683 23813751 29937405 24279464 15037211 16718554 28205509 28798583 27071290 16274815 23138629 33616632 29907351 22514412 33954814 23153604 19875593 22882423 8852707 18375920 21032429 35881843 23430139 17928410 24649242 27414391 19915594 21399238 S-Adenosylhomocysteine 33071175 13724999 68819223 26196961 22182880 35015653 48683386 15743564 33364484 32068352 37605669 18430743 19014940 36678947 34613278 23116283 49880443 18401586 41750161 91129540 43074446 41066668 30024772 21182233 2149253 69738180 31100804 39386542 53573892 15147741 25174635 30382181 33415208 30858293 24621978 9084800 48289724 26524048 7341065 83275949 30434393 55562413 15391867 31964425 26154443 12645962 63129382 81481883 14964254 51259025 49006800 11934225 31885282 18267233 9930135 19278785 30485231 52842451 5312321 12696379 30255063 13218027 11030044 50976598 3088936 61758619 26736482 69176071 26071236 39690223 7622757 58868844 18446947 29888899 43809469 41805502 20200455 26510350 50763841 43233966 19896932 64071143 40980044 12113001 14937450 34590431 3483622 9073205 17464399 7836892 9428063 30997206 31841236 30305192 32125804 Tryptophan 2-C-mannoside 900982726 459631030 1098415191 882892936 585006990 623726718 744810881 748118190 840577415 1663058307 836354857 631683157 436692764 1021304147 1284129267 755154684 637142727 568976000 929132930 842815670 1121362346 776071141 1284164005 810137836 276774319 1250643578 697797137 1142939607 896419948 368001371 625036799 397658415 917923802 956419534 446005399 328323627 1007711229 1318433758 295877427 833314168 951000981 1328180390 450552701 885012064 493566046 567796055 1270284719 606518186 232381471 841902890 1222211199 581411177 855028360 411393599 331510286 408097770 657840715 689098984 256098682 378347363 989597159 662833433 441442072 1184680884 223896008 913163588 551079340 1380457762 789739075 1019687929 305084377 906803702 526459004 873652771 867925855 956269165 742439540 681596459 1200710316 1132459867 432337102 1493324585 892514715 466411891 600964207 635750619 252418980 577201121 638739613 355200683 273190844 813754619 733636770 725639058 737932805 Urocanic acid 245476874 130695042 228268913 76182469 40827408 134183662 353523620 45735491 357961721 478561873 169787563 19415629 128315542 381227464 73499721 643578273 140874298 82473 106658758 162391281 285000721 78566314 862748641 108115121 51289334 319676429 87529038 409354028 216570826 48156866 608022059 16189320 574083266 439594719 23730523 250675789 187485 1019428 110637966 323299519 137657806 205848114 160730945 277471281 381852590 121706227 503408075 177843881 148918432 292399248 507626903 46279454 386725100 221390431 360869419 202929458 56137062 205169444 129701188 180856108 338050380 232734819 131293934 316193478 127265840 281304271 279552679 153441885 232232137 812263805 237436252 464159047 306832346 303753682 548592205 425267335 385525624 305005219 509199497 628377402 94876304 425465816 350405825 210359730 176286168 273377708 110776 237147647 267549059 123265529 145730994 226175845 194728470 191595526 242456732 Urolithin A 2072717 13156 2293172 8677 1982994 8677 8677 183445605 8677 137002 546391 8677 8677 8677 61115 8677 8677 1423079 8677 295176 425780 448205 8677 25633 456390 1149042 60854 20457 227882 8677 669470 8677 2700136 28316 1009936 8677 2469087 8677 329442 8677 4359359 8677 12191030 8677 8677 55074 8677 8677 8677 8677 370920 8677 8677 8677 8677 8677 8677 8677 239876 8677 8677 8677 8677 123650 8677 8677 8677 8677 8677 8677 8677 8677 8677 8677 2553742 1185153 8677 806241 252638 13443 59602 1069029 3081669 8677 36293 8677 1036178 10439 8677 8677 8677 2223767 1932367 1675667 1584551 Xanthosine 70913608 28813987 91124283 49778003 20478384 60945214 79771397 59262012 75697133 36179775 100277893 65506324 43269993 64804054 201340960 206320702 66647886 23919466 85689811 77126778 13457315 48485078 151891090 53576098 20212207 97617387 64854660 78010103 56278631 16055351 62861535 41672736 97544749 61984732 14039316 24497778 63194860 76662206 22272746 75889162 59718959 109882437 46416680 81621201 43932251 57187537 95100562 44372667 23436745 119662405 98043609 166484765 66456334 28848182 75159794 35431698 77939812 82292441 26836922 28615607 77417829 41926695 33170126 706538371 15767631 139109015 54447390 89173585 72316631 100002460 20195264 137476916 41167495 148354418 153439291 63757049 56724608 76177542 98888321 78997616 36116695 384568217 121069336 34398958 58061568 65443900 27696279 58760814 65551174 29578973 20550873 65896817 57200512 56172633 61650297 Xanthurenic acid 303922157 144140930 262708677 85073450 45338703 47622118 109205104 69613646 233138420 253246996 136469211 198444900 137596162 196921163 456353847 377572126 118559216 60901233 310723496 204416645 326480741 132462055 130604216 76494405 46232102 741412444 35522512 269075034 48563380 74443307 307592649 137630293 172604166 135300391 52410594 66882395 103455171 400075796 24205949 939014477 168299466 275038774 81921964 293916039 114934191 43870979 191424232 91173573 19846822 254220725 203032310 42536404 204196656 10731362 140777888 79597095 51727984 51066448 177698315 229239896 351352218 210397588 157456774 288485331 116586135 502048229 162657373 286593384 263480495 401053429 64018597 711618625 195251414 227961994 304532823 240119030 392119713 127530077 293605813 352286547 43392610 519010580 334920878 232056967 274758016 522440977 103749925 166742512 327103395 284778363 80450595 213485694 195399315 189446578 195140432 gamma-Glu-Phe 230399471 93909960 558786673 50436497 229363636 786848588 719795624 276029703 101396569 191190270 449916679 216519932 255507789 190269598 287364605 240492320 333063523 52254587 171661432 163185092 93939009 328366369 169666598 340145110 109737297 725119969 164775647 192681708 193184538 110251533 74794407 130691759 105774594 71612330 101434073 76316167 119253137 223855632 60502087 76567865 148901661 259345302 214118682 246271451 193719629 41378468 35530600 142296265 103580624 273429976 75155928 473704616 166392013 115825141 176850727 377482899 367689353 980850132 72785310 132088389 128432660 166554530 71465261 366882158 60643215 85419492 61018604 164165106 159790824 54072298 53854543 73207665 122524206 59874329 82567667 172125538 71923649 60291417 78455037 24289265 95453390 178541373 22623225 79354818 128042516 183922103 67736191 51219966 146815966 148074580 52578399 207469620 200637434 193358037 190132176 3-Hydroxyhippuric acid 266904978 43323127 1389959047 117514881 1305672641 6276002682 103477955 1863303261 144556680 411344052 131551808 237406244 188994706 91950290 362677116 229709741 32579300 248915032 247833066 2942200989 145060728 99584079 70470463 117680086 493805031 85722976 1908451870 497284339 143369535 35964376 170944680 37856322 203720220 205664060 179917779 80522454 137022830 439795065 84358338 1519164814 114735341 335541090 80499858 165649287 94915720 106553798 474449819 202613708 9401068 524228815 384486424 63646553 191555823 30579852 72824232 481092998 47833562 22623751 135087604 547802620 393478483 124378342 136905160 1011784067 43431171 12809009402 524991451 688165899 13108154039 166807851 210431816 1933531331 907167338 227340204 838180648 147125381 236881026 130476728 361235111 580916979 142919144 936476849 453136390 152103705 180861472 3503826591 197781145 301972755 281077809 27966021 30581529 290616182 279234575 284284593 266958538 4-Pyridoxic acid 1657311551 1196598746 3582912906 6794886377 1387911346 4089979690 1642611432 1468282275 1745373609 1528384584 3607308789 16095520660 1644923467 1768351051 1374934498 508660332 425514361 302610599 1663962083 1892744993 33759806385 15804944838 5613625791 5144365349 19185431752 8065856076 3170821925 1695133384 257960495 1268182488 575930133 615886133 1075142703 730639062 829999464 1339178844 867052794 768117050 598130840 1185834588 2749145677 4853305850 1299257851 1192191511 618177519 791200405 1493035815 668307393 3169695565 791914957 1332728328 1491553167 1064463091 819648283 2627605004 5264443501 27066422259 61494866396 375897724 292692997 1093309069 349233614 710238930 3976420033 404554876 566715032 3142053552 1030559553 761717737 1580058486 540512938 1290099156 663697555 1499457134 705206027 2895959010 405367269 606491262 1328902040 2110610797 544912903 2944414884 965181449 526251312 547796625 686328329 338283903 493428269 700396123 892263846 286889683 4173164795 4038339291 4032959783 3961047152 Ascorbic acid 12494959 15489666 77803136 633609787 12979046 13741921 23497474 29491253 32894850 52420839 167341431 18433092 31524438 14863147 7770178 165494194 1830478511 14639611 19136838 35039806 16548246 21882346 234838484 32323720 1995806648 27046667 33873571 65507918 17373007 15893543 24566401 52487983 44769657 197230595 60709606 265774531 15562357 469852370 19409364 331518424 18865419 40455396 23137707 488885303 44654817 36958551 83576990 21135618 16472500 56536456 61047913 22000641 33675196 21900503 14559648 20412967 20181403 9834092107 14152888 22285324 31434997 21179000 14467063 65451048 8707682 218341861 42520206 68137535 148165221 44631700 7799215 41938522 44518027 42952755 19828352 1123804210 2625300762 10215265 44962866 153102445 19757028 108319573 42021201 16938377 60410489 18351026 12481188 260590574 40163231 20491647 16176995 365096407 359558825 336530879 298528733 Hippuric acid 651277840 30274350736 19487745251 2063804570 12932508683 39004040739 23679204513 6994271827 3078947245 47831569958 914302263 2622152800 3495649943 1978724982 2948672872 29963795850 1313246353 66153745746 3801667389 9775423351 3008496215 6860257287 941980267 1411925200 5077239812 364344853 2770657268 24305480640 12821754217 426999129 16121149926 10515521919 20155811068 20704921903 5804370870 2384000535 9453676112 12852739829 5030533087 69471335989 17866437980 48095073514 6170612989 28582228359 12113970058 2916338385 22826274202 21721310807 316930888 30696982531 30703591262 6420155692 14348334459 3365395030 960587354 3554843537 5139349280 2607754344 10796987656 37272535985 80580994253 19112368981 8470415821 63872107968 2876345653 162003046600 21742308216 76923891186 129281158525 5840063128 23366586536 15688542755 4788662771 5078054222 19560156786 31287451219 100263146868 5086068093 64389425695 17493975143 32082210636 185265516341 97921390999 39041736499 55142227012 17046074146 11895407704 4345482460 12441429754 6698579756 12699892012 25071328356 24270072135 24615180658 23908223151 Imidazolelactic acid 109777334 34470548 78978255 128360331 19251221 35670098 62171437 55062878 219397032 43718857 96231908 29316839 213237450 41065278 11913219 220458086 88287905 31763587 94666776 116222875 234623189 175343117 92584760 88339378 161265786 595861302 232145510 201068429 98878699 23075760 66036580 54380812 117991287 82957296 25691101 54064512 70262739 149709770 28886392 148404509 77301681 220968510 86838453 116263299 49829618 29375958 105162251 43204060 28728037 81700597 114060502 122683604 47914395 38139086 24186285 74683005 104562798 42832072 72248093 116888411 97883669 99940111 81200558 171987378 42450897 74007992 96313107 145642048 101926907 100716638 27035699 171282538 50566087 89257551 55426651 104134740 50703207 55759897 72826685 165884595 37595108 277417208 75683562 71900242 62675168 238268581 22240657 158153447 60865697 77746946 20454804 80855019 79128438 93564223 90947916 Indolelactic acid 202711722 28058619 297463836 113410792 202676535 235280387 486454895 142041399 164612024 256552673 677369427 380716898 109536271 149299386 80721530 779812184 238551991 156450524 174931030 190110807 236337126 65462118 129510403 111631740 96881111 664984915 94983025 51559730 577715732 167365463 104607248 55403141 94640702 24783246 78587639 18942528 170287179 112653137 14748616 40576448 53151426 88198202 113233044 27728292 76683741 36335633 27438706 103575063 115190088 72797203 44817239 412036879 33587938 54087927 21614344 69694227 270525346 260399078 37643672 37159590 44039954 43737706 66969535 248725129 8673376 168109128 29332536 199212802 147699591 18112624 37514953 342591060 96786531 29259857 50977709 111590804 45913477 100848223 68436064 30087327 142881802 95176875 30345574 127408152 195030260 107507428 62230279 72046822 114430661 36627911 9113433 118693196 122632494 118726358 117907902 N-Acetyl-L-aspartic acid 103940654 88498719 126571396 72345451 66321376 108165131 146112599 128142183 83656550 146734786 65442827 60187200 317624797 58937992 44926789 139387084 99645143 59840210 128893849 66268755 135251933 107528734 91738992 172063286 175933021 110260294 88593718 129500070 107207368 55039537 116500521 69054455 138813531 125572846 22524445 75155088 142147151 181595445 66185838 112785275 108763340 168881511 81100808 128224125 101147671 91577094 163974061 118176182 44206678 174409639 164309132 113411313 172848668 59197606 75173116 131074367 60482774 144729183 104690693 119720833 150304390 229951537 59187094 195630486 116880984 166274819 80969947 134461280 122816066 143601586 61657370 168449338 168313863 144692299 77499756 236583497 246672247 96188645 119335461 148234945 82853775 194552092 105132516 85080938 130543489 104578150 92283269 163191662 139899004 157345746 93361184 121662699 124335939 128000377 124718648 N-Acetylglutamic acid 99330531 62982728 94001899 50080766 43259032 38368725 71595041 75223865 116102837 169960133 58298098 45805494 155889511 58189934 32187222 133657628 85910796 48304157 114298307 62816813 95780766 55581961 43632831 92404979 115442548 119312190 81746170 114681842 82475813 52408960 75303159 43035540 95617894 100053553 60027376 42150665 87230996 136844378 32329899 101874727 91775076 123558319 51904419 72226224 73922044 52967058 99985813 80449129 37338166 106828812 101733590 63260951 85481111 43974893 41935913 76454618 50000283 83925268 62095134 82165649 101481371 109775567 50512000 177485824 117853004 149692352 75842102 106579988 72951583 105302026 56278531 148492816 80247999 110480611 84485483 116696389 84070377 55946414 88568105 88373949 54718150 145811831 79886084 48179861 79523544 102135210 37501896 92861961 71028821 72729646 41571794 81731570 80102124 81554683 80132682 N-Acetylthreonine 316926395 74278948 319415260 111170424 95442689 126176348 356286703 166979050 212080483 415844430 312422535 155860959 288415593 124665966 79472097 753080992 209900771 121269333 505504566 384006309 400093460 159966079 252499269 462450290 437813991 1640301146 361519674 300399241 187054032 174403552 137079704 207312519 138655874 197586611 227588963 136934851 183812963 442034230 79162776 123453971 271733694 462381815 160192262 184618355 121341497 110082541 258433995 106748489 75810651 158782915 287620728 248206542 134004367 86348700 115835389 155229674 235897222 131746156 144133538 190056019 219712272 177261477 115436036 227551846 89092952 156190109 164510067 299865022 151053331 154814694 76238998 240248089 144801458 131233852 184060394 174331415 183126144 102359117 184647145 268523126 64720113 184968415 129344694 116577836 95445246 184057417 44724934 246997073 102598997 162060460 33566364 170287158 186358540 183808802 176070345 N-alpha-Acetyl-L-citrulline 8294533 17506138 9371570 2311269 53636263 49854198 2917426 1064231 12382769 10619637 20347664 4554915 10020221 46703661 37931499 28989155 73337074 4700126 29479298 32486975 11591670 132941546 38481935 1895954 257315339 43368850 792294809 12077249 6181366 10149710 3473372 362527791 9190395 13349422 84141321 11434325 1149424 35904113 2832095 18530121 3922834 4044542 1696150 8342344 21027816 4003742 5480177 10045319 34434824 5454102 5284163 84464868 3761200 8434101 13423227 67502874 156140377 137648076 4079804 6272821 4658537 4155311 1049985 2573736 3293827 17042417 6713411 3219076 7196649 7748221 3516943 20129195 1418478 4270001 11716098 350520 3791359 3106492 5880987 8183985 4385280 17774113 5768520 1574418 2443219 3835998 1873456 4744289 1792387 1622754 529560 21050689 20668237 21398995 20671902 Phenylpropionylglycine 1590552 711675 55391786 4350803 5269410 3000174 7211839 9883044 2971015 2724172 5581213 10199517 8061650 2371361 1337671 16808670 7171550 17444476 3848975 4738482 17302734 5133552 1601346 1989015 8359299 5495509 11521051 23556473 23193239 967384 8337447 21910165 5709021 5114962 3431328 1613498 2165786 7249736 2641010 10359430 4168529 7154153 5507969 8155095 4345500 6258469 3156806 7105994 838359 4288177 8944942 4959800 8992479 2068605 878402 4199433 3834150 5852217 5472784 2392566 27465385 4104844 4253039 11864081 1347068 14853154 4082723 29022786 19157915 6322034 5821164 10198952 12818150 3517400 4464653 320753 7192181 8331321 62040550 20902337 14778873 42205429 13210834 4153049 7500626 17659254 2554438 3311034 5251542 7510760 1212438 7246697 7137098 7335909 6994507 Taurine 221587829 20783876 49507407 44791373 69373636 51228976 55002367 72240335 228839708 24598902 108521906 23363324 56435926 82167244 5195256 681914158 94358074 74701109 145046542 135716214 317377262 93760302 276081675 100677946 192407152 492a57190 228314150 114474150 156396322 37797130 33879422 338227394 35538500 147150189 92137912 18861276 44141826 257224278 19722329 14574881 122654706 91718998 144706822 140531039 61555136 40773795 79477193 36390731 21091547 37682873 83883652 127787971 75446209 24967680 39554272 101163220 28669008 116529341 55249113 145275600 87440292 134266919 20417279 119955100 24771688 202534432 65960685 10935891 44489190 157958739 4869023 78313144 75265754 132207153 34708950 73499934 63715949 30613940 82123466 24071117 15546602 122786194 56906108 22840080 22128571 114541901 19093633 83670582 20835606 136566188 45850738 85755034 85063782 82506274 84523173 Tiglylglycine 72872573 17291444 62247798 37096256 11060974 18423521 120046376 57758197 55192607 96018445 47513647 52848982 113524660 32262985 7842924 547329885 45946596 57404910 46191746 33575562 259886877 45144912 38849297 61829517 340226855 292604335 11975287 253210631 86793348 82986187 150214201 14155923 78376931 116293620 23026718 22258802 53856586 307414161 41681565 49924475 61511942 113452652 32918780 65707645 92965956 27864004 187773884 99456747 4265527 111436187 200233938 22956267 56701089 19099570 50782132 22490624 31020294 16579254 132752674 77185784 151315447 90945572 83731660 145068930 21804810 110953697 120613650 152078748 89592597 90886921 34986338 364992626 252882624 110667965 45472340 531268034 287692810 47467928 130490763 227026238 41457642 118685849 45344410 116888156 95529293 197996553 22373941 76630966 91881813 80366444 34069438 83732011 81314333 80146782 79119115 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB alpha-Aminobutyric acid HMDB0000452 3-Hydroxybutyric acid HMDB0000011 Glyceric acid HMDB0000139 Hydroquinone HMDB0002434 Fumaric acid HMDB0000134 Levulinic acid HMDB0000720 Acetylglycine HMDB0000532 Succinic acid HMDB0000254 2-Hydroxy-3-methylbutyric acid+3-Hydroxy-3-methylbutyric acid HMDB0000407+HMDB0000754 4-Deoxythreonic acid HMDB0002453 M2X-RT177MZ123 NA 2-Hydroxyethanesulfonate HMDB0003903 1,2,3-Trihydroxybenzene HMDB0013674 M2X-RT32MZ129 NA 3-Methyl-2-oxovaleric acid HMDB0000491 4-Methyl-2-oxovaleric acid HMDB0000695 Glutaric acid HMDB0000661 Ureidopropionic acid HMDB0000026 L-Aspartic acid HMDB0000191 Malic acid HMDB0000156 2,3-Dihydroxy-isovalerate HMDB0012141 Threonic acid HMDB0000943 Oxoglutaric acid HMDB0000208 Adipic acid HMDB0000448 L-Glutamic acid HMDB0000148 2-Hydroxyglutaric acid HMDB0000694 Mevalonic acid HMDB0000227 Tartaric acid HMDB0000956 D-Ribose HMDB0000283 M2X-RT58MZ150 NA Xanthine HMDB0000292 Ribitol HMDB0000508 Allantoin HMDB0000462 M2X-RT30MZ157 NA Pelargonic acid(FFA(9:0) HMDB0000847 Isovalerylglycine HMDB0000678 Oxoadipic acid HMDB0000225 Pimelic acid HMDB0000857 3-Hydroxymethylglutaric acid HMDB0000355 Acesulfame HMDB0033585 1,5-Anhydrosorbitol HMDB0002712 Methionine sulfoxide HMDB0002005 Ribonic acid+Xylonate HMDB0000867+HMDB0060256 1-Methylxanthine HMDB0010738 7-Methylxanthine HMDB0001991 M2X-RT56MZ165 NA Desaminotyrosine HMDB0002199 4-Hydroxyphenyl-2-propionic acid HMDB0041683 M2X-RT367MZ165 NA M2X-RT386MZ165 NA N-Acetyltaurine HMDB0240253 Uric acid HMDB0000289 Pyridoxine HMDB0000239 3-Methylhistidine HMDB0000479 Glycerol 3-phosphate HMDB0000126 Hydantoin-5-propionic acid NA N-Acetylleucine HMDB0011756 Hexanoylglycine HMDB0000701 Phenol sulphate HMDB0060015 Aconitic acid HMDB0000072 Suberic acid(FFA(8:0-DC) HMDB0000893 N5-Acetylornithine HMDB0240589 Alliin HMDB0301759 N-Formyl-L-methionine HMDB0001015 Gluconolactone HMDB0000150 4-Hydroxyphenylpyruvic acid HMDB0000707 M2X-RT67MZ179 NA Glucose+myo-Inositol HMDB0000122+HMDB0000211 Paraxanthine HMDB0001860 Methionine sulfone HMDB0062174 8-Hydroxy-7-methylguanine HMDB0006037 7-Methyluric acid HMDB0011107 Hydroxyphenyllactic acid HMDB0000755 Mannitol+Sorbitol HMDB0000765+HMDB0000247 M2X-RT161MZ183 NA Hepteneoylglycine HMDB0094728 Undecanoic acid(FFA(11:0) HMDB0000947 Azelaic acid(FFA(9:0-DC) HMDB0000784 N-Alpha-acetyllysine HMDB0000446 2-Aminophenol sulphate HMDB0061116 Pyrocatechol sulfate HMDB0059724 M2X-RT36MZ189 NA N-Acetyl-methionine HMDB0011745 Citric acid HMDB0000094 Quinic acid HMDB0003072 Methyhuppuric acid (1) NA Methyhuppuric acid (2) NA Methyhuppuric acid (3) NA Glucuronic acid HMDB0000127 2-Aminohippuric acid HMDB0245019 Gluconic acid HMDB0000625 1,3-Dimethyluric acid HMDB0001857 M2X-RT72MZ195 NA Vanillylmandelic acid HMDB0000291 5-Acetylamino-6-amino-3-methyluracil HMDB0004400 M2X-RT54MZ197 NA 4-ethylphenyl sulfate HMDB0062551 Sebacic acid(FFA(10:0-DC) HMDB0000792 O-Methoxycatechol-O-sulphate HMDB0060013 4-Methylcatechol 1-sulfate HMDB0240459 gamma-Glu-Gly HMDB0011667 Panthenol HMDB0004231 Pyrogallol-1-O-sulphate HMDB0060016 2-Methylcitric acid HMDB0000379 2,4-Di-tert-butylphenol HMDB0013816 4-(2-Aminophenyl)-2,4-dioxobutanoic acid HMDB0000978 M2X-RT168MZ206 NA M2X-RT82MZ208 NA Glucaric acid HMDB0000663 Vanilpyruvic acid HMDB0011714 Nicotinamide ribotide HMDB0000229 Vanillactic acid HMDB0000913 3-indoxyl sulfate HMDB0000682 Deoxyribose 5-phosphate HMDB0001031 4-Acetylphenol sulfate isomer NA 4-Acetylphenol sulfate CHEBI133226 Tyramine-O-sulfate HMDB0006409 M2X-RT35MZ217 NA M2X-RT214MZ217 NA M2X-RT250MZ217 NA Methylpyrogallol sulfate HMDB0240694 5alpha-Androstan-3beta,17alpha-diol disulfate HMDB0240625 5alpha-Androstan-3alpha,17alpha-diol disulfate HMDB0094682 Deoxyuridine HMDB0000012 Ribose 5-phosphate HMDB0001548 Thymol Sulfate HMDB0062720 Dodecanedioic acid(FFA(12:0-DC) HMDB0000623 Dopamine 3-O-sulfate HMDB0006275 N-Lactoylphenylalanine HMDB0062175 5alpha-Pregnan-3beta,20alpha-diol disulfate HMDB0094650 Anserine HMDB0000194 M2X-RT172MZ240 NA Pseudouridine+Uridine HMDB0000767+HMDB0000296 Hexanoylglutamine HMDB0242182 2-Hydroxymyristic acid(FFA(14:0-OH) HMDB0002261 5,6-Dihydrouridine HMDB0000497 Indolepropionylglycine HMDB0253470 Steroid-C21H34O3 disulfate 1 NA Steroid-C21H34O3 disulfate 2 NA Steroid-C21H34O3 disulfate 3 NA M2X-RT230MZ249 NA N-Lactoyltyrosine HMDB0062177 5-L-Glutamyl-taurine HMDB0004195 Ascorbic acid-2-sulfate HMDB0060649 5-Methyluridine HMDB0000884 2'-O-Methyluridine HMDB0240328 O-Sulfotyrosine HMDB0155722 Homovanillic acid sulfate HMDB0011719 N-acetyl-S-(N-allylthiocarbamoyl)-L-cysteine HMDB0060011 3-Methoxy-4-Hydroxyphenylglycol sulfate HMDB0003332 Phenol glucuronide HMDB0060014 16-Hydroxyhexadecanoic acid HMDB0006294 Ferulic acid 4-O-sulfate HMDB0029200 Biotin sulfone HMDB0004818 3beta-Hydroxy-5-cholenoic acid taurine conjugate 3-O-sulfate IPT-NM023 Bromo-tryptophan HMDB0242168 M2X-RT196MZ281 NA p-Cresol glucuronide HMDB0011686 N4-Acetylcytidine HMDB0005923 5-(3',5'-Dihydroxyphenyl)-gamma-valerolactone sulfate HMDB0240474 Orotidine HMDB0000788 Argininosuccinic acid HMDB0000052 Tetradecyl sulfate HMDB0014607 Ethylphenol glucuronide HMDB0240654 Enterolactone HMDB0006101 M2X-RT272MZ297 NA N-Acetylglucosamine sulfate HMDB0000814 5-(3'-Methoxyphenyl)-gamma-valerolactone-4'-sulfate 3 HMDB0127769 Indoleacetyl glutamine HMDB0013240 Indoxyl glucuronide HMDB0010319 N-Acetylneuraminic acid HMDB0000230 Octanoylglucuronide 1 HMDB0010347 Octanoylglucuronide 2 HMDB0010347 Octanoylglucuronide 3 HMDB0010347 Glycerophosphoinositol HMDB0011649 Indole carboxylic acid glucuronide HMDB0013189 M2X-RT398MZ363 NA 4-Feruloylquinic acid HMDB0240453 Dehydroepiandrosterone sulfate HMDB0001032 Androsterone sulfate (2) NA Androsterone sulfate (4) NA Enterolactone sulfate HMDB0240506 M2X-RT300MZ377 NA Sulfated Androgen(Partial annotated) NA 16a-hydroxy DHEA 3-sulfate HMDB0062544 Deoxycholic acid HMDB0000626 Pregnenolone sulfate HMDB0000774 5beta-Pregnanediol sulfate NA Urolithin A-3-O-glucuronide HMDB0029222 Ursocholic acid HMDB0000917 Equol O-glucuronide HMDB0041731 M2X-RT413MZ424(containing nitrate) NA Estrone glucuronide HMDB0004483 Naringenin 5-O-glucuronide HMDB0041760 Glycoursodeoxycholic acid HMDB0000708 Deoxycholic acid glycine conjugate HMDB0000631 Androstenediol disulfate (2) NA Glycitein O-glucuronide (2) NA Testosterone glucuronide HMDB0003193 Androgen C19H28O2 glucuronide (1) NA Androgen C19H28O2 glucuronide (2) NA Androgen C19H30O2 O-glucuronide (1) NA Androgen C19H30O2 O-glucuronide (2) NA Androgen C19H30O2 O-glucuronide (3) NA Androsterone O-glucuronide HMDB0002829 Androgen C19H30O2 O-glucuronide (4) NA Androgen C19H30O2 O-glucuronide (5) NA Ursodeoxycholic acid 3-sulfate HMDB0002642 Chenodeoxycholic acid 3-sulfate HMDB0002586 Deoxycholic acid 3-sulfate NA Pregnanediol disulfate IPT-NM027 Androgen C19H28O3 O-glucuronide (1) NA Androgen C19H28O3 O-glucuronide (2) NA Androgen C19H28O3 O-glucuronide (3) NA Androgen C19H28O3 O-glucuronide (4) NA Sulfolithocholylglycine HMDB0002639 Glycodeoxycholate-3-sulfate NA Aldosterone 18-glucuronide HMDB0010345 Glycodeoxycholate 3-glucuronide IPT-NM047 3'-Sialyllactose HMDB0000825 3-Sialyl-N-acetyllactosamine HMDB0006581 Pyruvic acid HMDB0000243 L-Alanine HMDB0000161 Sulfate HMDB0001448 Phosphate HMDB0001429 1-Methylguanosine HMDB0001563 2-Furoylglycine HMDB0000439 2-Methylguanosine HMDB0005862 4-Acetamidobutanoic acid HMDB0003681 5'-Methylthioadenosine HMDB0001173 5-Hydroxyindoleacetic acid HMDB0000763 7-Methylguanine HMDB0000897 Acetylcarnosine HMDB0012881 Creatinine HMDB0000562 Cyclic AMP HMDB0000058 Cytidine HMDB0000089 Daidzein HMDB0003312 Guanidinosuccinic acid HMDB0003157 Guanidoacetic acid HMDB0000128 Guanosine HMDB0000133 Hypoxanthine HMDB0000157 Indole-3-carboxaldehyde HMDB0029737 Indole-3-methyl acetate HMDB0029738 Inosine HMDB0000195 Kynurenic acid HMDB0000715 L-Arginine HMDB0000517 L-Cystine HMDB0000192 L-Glutamine HMDB0000641 L-Histidine HMDB0000177 L-Phenylalanine HMDB0000159 L-Threonine HMDB0000167 L-Tryptophan HMDB0000929 L-Tyrosine HMDB0000158 Leu-Hyp HMDB0028930 N-Acetyl-L-phenylalanine HMDB0000512 N-Acetyl-S-allylcysteine HMDB0240543 N-Acetylasparagine HMDB0006028 N-Acetylaspartylglutamic acid HMDB0001067 N-Acetylglutamine HMDB0006029 N-Acetylhistidine HMDB0032055 N-Acetyltryptophan HMDB0013713 N-Acetyltyrosine HMDB0000866 N-Acetylvaline HMDB0011757 N-Butyrylglycine HMDB0000808 N-Hexosyl tryptophan IPT-NM018 N1-Methyl-2-pyridone-5-carboxamide HMDB0004193 N2,N2-Dimethylguanosine HMDB0004824 Palmitoylethanolamide HMDB0002100 Pantothenic acid HMDB0000210 Phe-Hyp HMDB0029113 Phe-Pro HMDB0011177 Phenylacetylglutamine HMDB0006344 Pyroglutamic acid HMDB0000267 Quinolinic acid HMDB0000232 S-Adenosylhomocysteine HMDB0000939 Tryptophan 2-C-mannoside HMDB0240296 Urocanic acid HMDB0000301 Urolithin A HMDB0013695 Xanthosine HMDB0000299 Xanthurenic acid HMDB0000881 gamma-Glu-Phe HMDB0000594 3-Hydroxyhippuric acid HMDB0006116 4-Pyridoxic acid HMDB0000017 Ascorbic acid HMDB0000044 Hippuric acid HMDB0000714 Imidazolelactic acid HMDB0002320 Indolelactic acid HMDB0000671 N-Acetyl-L-aspartic acid HMDB0000812 N-Acetylglutamic acid HMDB0001138 N-Acetylthreonine HMDB0062557 N-alpha-Acetyl-L-citrulline HMDB0000856 Phenylpropionylglycine HMDB0000860 Taurine HMDB0000251 Tiglylglycine HMDB0000959 METABOLITES_END #END