#METABOLOMICS WORKBENCH jravilap_20220802_112810 DATATRACK_ID:3380 STUDY_ID:ST002246 ANALYSIS_ID:AN003668 PROJECT_ID:PR001434 VERSION 1 CREATED_ON August 9, 2022, 8:09 am #PROJECT PR:PROJECT_TITLE Longitudinal fecal metabolomic profiles from mothers and their infants in the PR:PROJECT_TITLE EDIA study PR:PROJECT_TYPE Metabolomic profiling of human fecal samples PR:PROJECT_SUMMARY In a cohort consisting of 32 mother-infant dyads, we profiled the fecal PR:PROJECT_SUMMARY metabolome at birth and at 3 and 6 months of infant age. Metagenomes from the PR:PROJECT_SUMMARY same samples were also generated. PR:INSTITUTE Broad Institute of MIT and Harvard PR:LAST_NAME Xavier PR:FIRST_NAME Ramnik PR:ADDRESS 415 Main Street PR:EMAIL rxavier@broadinstitute.org PR:PHONE 6177147080 PR:FUNDING_SOURCE National Institutes of Health (P30 DK043351), Juvenile Diabetes Research PR:FUNDING_SOURCE Foundation (grant 2-SRA-2016-492 247-S-B) PR:CONTRIBUTORS Tommi Vatanen, Karolina S. Jabbar, Terhi Ruohtula, Jarno Honkanen, Julian PR:CONTRIBUTORS Avila-Pacheco, Heli Siljander, Martin Stražar, Sami Oikarinen, Heikki Hyöty, PR:CONTRIBUTORS Jorma Ilonen, Caroline M. Mitchell, Moran Yassour, Suvi M. Virtanen, Clary B. PR:CONTRIBUTORS Clish, Damian R. Plichta, Hera Vlamakis, Mikael Knip, Ramnik J. Xavier #STUDY ST:STUDY_TITLE Longitudinal fecal metabolomic profiles from mothers and their infants in the ST:STUDY_TITLE EDIA study ST:STUDY_SUMMARY In a cohort consisting of 32 mother-infant dyads, we profiled the fecal ST:STUDY_SUMMARY metabolome at birth and at 3 and 6 months of infant age. Metagenomes from the ST:STUDY_SUMMARY same samples were also generated. ST:INSTITUTE Broad Institute of MIT and Harvard ST:LAST_NAME Xavier ST:FIRST_NAME Ramnik ST:ADDRESS 415 Main Street ST:EMAIL rxavier@broadinstitute.org ST:PHONE 617717084 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 M0038 300099 mother.child:Child RAW_FILE_NAME=0001_XAV_EDIA_HP-300099_realiquot.raw; RAW_FILE_NAME=0001_XAV_EDIA_CP-300099.raw; RAW_FILE_NAME=0001_XAV_EDIA_CN-300099.raw; RAW_FILE_NAME=0001_XAV_EDIA_HN_300099.raw SUBJECT_SAMPLE_FACTORS M0038 300186 mother.child:Child RAW_FILE_NAME=0002_XAV_EDIA_HP-300186_realiquot.raw; RAW_FILE_NAME=0002_XAV_EDIA_CP-300186.raw; RAW_FILE_NAME=0002_XAV_EDIA_CN-300186.raw; RAW_FILE_NAME=0002_XAV_EDIA_HN_300186.raw SUBJECT_SAMPLE_FACTORS M0038 300097 mother.child:Child RAW_FILE_NAME=0003_XAV_EDIA_HP-300097_realiquot.raw; RAW_FILE_NAME=0003_XAV_EDIA_CP-300097.raw; 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RAW_FILE_NAME=0133re_XAV_EDIA_CP-301271.raw; RAW_FILE_NAME=0133_XAV_EDIA_CN-301271.raw; RAW_FILE_NAME=0133_XAV_EDIA_HN_301271.raw SUBJECT_SAMPLE_FACTORS M0261 301068 mother.child:Mother RAW_FILE_NAME=0134_XAV_EDIA_HP-301068.raw; RAW_FILE_NAME=0134re_XAV_EDIA_CP-301068.raw; RAW_FILE_NAME=0134_XAV_EDIA_CN-301068.raw; RAW_FILE_NAME=0134_XAV_EDIA_HN_301068.raw SUBJECT_SAMPLE_FACTORS M0261 300381 mother.child:Mother RAW_FILE_NAME=0135_XAV_EDIA_HP-300381.raw; RAW_FILE_NAME=0135re_XAV_EDIA_CP-300381.raw; RAW_FILE_NAME=0135_XAV_EDIA_CN-300381.raw; RAW_FILE_NAME=0135_XAV_EDIA_HN_300381.raw SUBJECT_SAMPLE_FACTORS M0261 301065 mother.child:Child RAW_FILE_NAME=0136_XAV_EDIA_HP-301065.raw; RAW_FILE_NAME=0136re_XAV_EDIA_CP-301065.raw; RAW_FILE_NAME=0136_XAV_EDIA_CN-301065.raw; RAW_FILE_NAME=0136_XAV_EDIA_HN_301065.raw SUBJECT_SAMPLE_FACTORS M0261 300379 mother.child:Child RAW_FILE_NAME=0137_XAV_EDIA_HP-300379.raw; RAW_FILE_NAME=0137re_XAV_EDIA_CP-300379.raw; RAW_FILE_NAME=0137_XAV_EDIA_CN-300379.raw; RAW_FILE_NAME=0137_XAV_EDIA_HN_300379.raw SUBJECT_SAMPLE_FACTORS M0261 300378 mother.child:Child RAW_FILE_NAME=0138_XAV_EDIA_HP-300378.raw; RAW_FILE_NAME=0138re_XAV_EDIA_CP-300378.raw; RAW_FILE_NAME=0138_XAV_EDIA_CN-300378.raw; RAW_FILE_NAME=0138_XAV_EDIA_HN_300378.raw SUBJECT_SAMPLE_FACTORS M0059 300122 mother.child:Child RAW_FILE_NAME=0139_XAV_EDIA_HP-300122.raw; RAW_FILE_NAME=0139re_XAV_EDIA_CP-300122.raw; RAW_FILE_NAME=0139_XAV_EDIA_CN-300122.raw; RAW_FILE_NAME=0139_XAV_EDIA_HN_300122.raw SUBJECT_SAMPLE_FACTORS M0059 300126 mother.child:Mother RAW_FILE_NAME=0140_XAV_EDIA_HP-300126.raw; RAW_FILE_NAME=0140re_XAV_EDIA_CP-300126.raw; RAW_FILE_NAME=0140_XAV_EDIA_CN-300126.raw; RAW_FILE_NAME=0140_XAV_EDIA_HN_300126.raw SUBJECT_SAMPLE_FACTORS M0059 300220 mother.child:Child RAW_FILE_NAME=0141_XAV_EDIA_HP-300220.raw; RAW_FILE_NAME=0141re_XAV_EDIA_CP-300220.raw; RAW_FILE_NAME=0141_XAV_EDIA_CN-300220.raw; RAW_FILE_NAME=0141_XAV_EDIA_HN_300220.raw SUBJECT_SAMPLE_FACTORS M0059 300123 mother.child:Child RAW_FILE_NAME=0142_XAV_EDIA_HP-300123.raw; RAW_FILE_NAME=0142re_XAV_EDIA_CP-300123.raw; RAW_FILE_NAME=0142_XAV_EDIA_CN-300123.raw; RAW_FILE_NAME=0142_XAV_EDIA_HN_300123.raw SUBJECT_SAMPLE_FACTORS M0059 300127 mother.child:Mother RAW_FILE_NAME=0143_XAV_EDIA_HP-300127.raw; RAW_FILE_NAME=0143re_XAV_EDIA_CP-300127.raw; RAW_FILE_NAME=0143_XAV_EDIA_CN-300127.raw; RAW_FILE_NAME=0143_XAV_EDIA_HN_300127.raw SUBJECT_SAMPLE_FACTORS M0059 300125 mother.child:Child RAW_FILE_NAME=0144_XAV_EDIA_HP-300125.raw; RAW_FILE_NAME=0144re_XAV_EDIA_CP-300125.raw; RAW_FILE_NAME=0144_XAV_EDIA_CN-300125.raw; RAW_FILE_NAME=0144_XAV_EDIA_HN_300125.raw SUBJECT_SAMPLE_FACTORS M0808 301695 mother.child:Child RAW_FILE_NAME=0145_XAV_EDIA_HP-301695_realiquot.raw; RAW_FILE_NAME=0145re_XAV_EDIA_CP-301695.raw; RAW_FILE_NAME=0145_XAV_EDIA_CN-301695.raw; RAW_FILE_NAME=0145_XAV_EDIA_HN_301695.raw SUBJECT_SAMPLE_FACTORS M0808 301696 mother.child:Child RAW_FILE_NAME=0146_XAV_EDIA_HP-301696.raw; RAW_FILE_NAME=0146re_XAV_EDIA_CP-301696.raw; RAW_FILE_NAME=0146_XAV_EDIA_CN-301696.raw; RAW_FILE_NAME=0146_XAV_EDIA_HN_301696.raw SUBJECT_SAMPLE_FACTORS M0808 301699 mother.child:Mother RAW_FILE_NAME=0147_XAV_EDIA_HP-301699.raw; RAW_FILE_NAME=0147re_XAV_EDIA_CP-301699.raw; RAW_FILE_NAME=0147_XAV_EDIA_CN-301699.raw; RAW_FILE_NAME=0147_XAV_EDIA_HN_301699.raw SUBJECT_SAMPLE_FACTORS M0808 301698 mother.child:Child RAW_FILE_NAME=0148_XAV_EDIA_HP-301698.raw; RAW_FILE_NAME=0148re_XAV_EDIA_CP-301698.raw; RAW_FILE_NAME=0148_XAV_EDIA_CN-301698.raw; RAW_FILE_NAME=0148_XAV_EDIA_HN_301698.raw SUBJECT_SAMPLE_FACTORS M0808 301432 mother.child:Mother RAW_FILE_NAME=0149_XAV_EDIA_HP-301432.raw; RAW_FILE_NAME=0149re_XAV_EDIA_CP-301432.raw; RAW_FILE_NAME=0149_XAV_EDIA_CN-301432.raw; RAW_FILE_NAME=0149_XAV_EDIA_HN_301432.raw SUBJECT_SAMPLE_FACTORS M0808 301936 mother.child:Child RAW_FILE_NAME=0150_XAV_EDIA_HP-301936.raw; RAW_FILE_NAME=0150re_XAV_EDIA_CP-301936.raw; RAW_FILE_NAME=0150_XAV_EDIA_CN-301936.raw; RAW_FILE_NAME=0150_XAV_EDIA_HN_301936.raw SUBJECT_SAMPLE_FACTORS M0450 301265 mother.child:Mother RAW_FILE_NAME=0151_XAV_EDIA_HP-301265.raw; RAW_FILE_NAME=0151re_XAV_EDIA_CP-301265.raw; RAW_FILE_NAME=0151_XAV_EDIA_CN-301265.raw; RAW_FILE_NAME=0151_XAV_EDIA_HN_301265.raw SUBJECT_SAMPLE_FACTORS M0450 301562 mother.child:Child RAW_FILE_NAME=0152_XAV_EDIA_HP-301562.raw; RAW_FILE_NAME=0152re_XAV_EDIA_CP-301562.raw; RAW_FILE_NAME=0152_XAV_EDIA_CN-301562.raw; RAW_FILE_NAME=0152_XAV_EDIA_HN_301562.raw SUBJECT_SAMPLE_FACTORS M0450 301266 mother.child:Mother RAW_FILE_NAME=0153_XAV_EDIA_HP-301266.raw; RAW_FILE_NAME=0153re_XAV_EDIA_CP-301266.raw; RAW_FILE_NAME=0153_XAV_EDIA_CN-301266.raw; RAW_FILE_NAME=0153_XAV_EDIA_HN_301266.raw SUBJECT_SAMPLE_FACTORS M0450 301264 mother.child:Child RAW_FILE_NAME=0154_XAV_EDIA_HP-301264.raw; RAW_FILE_NAME=0154re_XAV_EDIA_CP-301264.raw; RAW_FILE_NAME=0154_XAV_EDIA_CN-301264.raw; RAW_FILE_NAME=0154_XAV_EDIA_HN_301264.raw SUBJECT_SAMPLE_FACTORS M0450 301262 mother.child:Child RAW_FILE_NAME=0155_XAV_EDIA_HP-301262.raw; RAW_FILE_NAME=0155re_XAV_EDIA_CP-301262.raw; RAW_FILE_NAME=0155_XAV_EDIA_CN-301262.raw; RAW_FILE_NAME=0155_XAV_EDIA_HN_301262.raw SUBJECT_SAMPLE_FACTORS M0450 301261 mother.child:Child RAW_FILE_NAME=0156_XAV_EDIA_HP-301261.raw; RAW_FILE_NAME=0156re_XAV_EDIA_CP-301261.raw; RAW_FILE_NAME=0156_XAV_EDIA_CN-301261.raw; RAW_FILE_NAME=0156_XAV_EDIA_HN_301261.raw SUBJECT_SAMPLE_FACTORS M0740 301679 mother.child:Child RAW_FILE_NAME=0157_XAV_EDIA_HP-301679.raw; RAW_FILE_NAME=0157re_XAV_EDIA_CP-301679.raw; RAW_FILE_NAME=0157_XAV_EDIA_CN-301679.raw; RAW_FILE_NAME=0157_XAV_EDIA_HN_301679.raw SUBJECT_SAMPLE_FACTORS M0740 301404 mother.child:Mother RAW_FILE_NAME=0158_XAV_EDIA_HP-301404.raw; RAW_FILE_NAME=0158re_XAV_EDIA_CP-301404.raw; RAW_FILE_NAME=0158_XAV_EDIA_CN-301404.raw; RAW_FILE_NAME=0158_XAV_EDIA_HN_301404.raw SUBJECT_SAMPLE_FACTORS M0740 301401 mother.child:Child RAW_FILE_NAME=0159_XAV_EDIA_HP-301401.raw; RAW_FILE_NAME=0159re_XAV_EDIA_CP-301401.raw; RAW_FILE_NAME=0159_XAV_EDIA_CN-301401.raw; RAW_FILE_NAME=0159_XAV_EDIA_HN_301401.raw SUBJECT_SAMPLE_FACTORS M0740 301400 mother.child:Child RAW_FILE_NAME=0160_XAV_EDIA_HP-301400.raw; RAW_FILE_NAME=0160re_XAV_EDIA_CP-301400.raw; RAW_FILE_NAME=0160_XAV_EDIA_CN-301400.raw; RAW_FILE_NAME=0160_XAV_EDIA_HN_301400.raw SUBJECT_SAMPLE_FACTORS M0740 301403 mother.child:Child RAW_FILE_NAME=0161_XAV_EDIA_HP-301403.raw; RAW_FILE_NAME=0161re_XAV_EDIA_CP-301403.raw; RAW_FILE_NAME=0161_XAV_EDIA_CN-301403.raw; RAW_FILE_NAME=0161_XAV_EDIA_HN_301403.raw SUBJECT_SAMPLE_FACTORS M0740 301405 mother.child:Mother RAW_FILE_NAME=0162_XAV_EDIA_HP-301405.raw; RAW_FILE_NAME=0162re_XAV_EDIA_CP-301405.raw; RAW_FILE_NAME=0162_XAV_EDIA_CN-301405.raw; RAW_FILE_NAME=0162_XAV_EDIA_HN_301405.raw SUBJECT_SAMPLE_FACTORS M0369 301054 mother.child:Child RAW_FILE_NAME=0163_XAV_EDIA_HP-301054.raw; RAW_FILE_NAME=0163re_XAV_EDIA_CP-301054.raw; RAW_FILE_NAME=0163_XAV_EDIA_CN-301054.raw; RAW_FILE_NAME=0163_XAV_EDIA_HN_301054.raw SUBJECT_SAMPLE_FACTORS M0369 300396 mother.child:Mother RAW_FILE_NAME=0164_XAV_EDIA_HP-300396.raw; RAW_FILE_NAME=0164re_XAV_EDIA_CP-300396.raw; RAW_FILE_NAME=0164_XAV_EDIA_CN-300396.raw; RAW_FILE_NAME=0164_XAV_EDIA_HN_300396.raw SUBJECT_SAMPLE_FACTORS M0369 301056 mother.child:Child RAW_FILE_NAME=0165_XAV_EDIA_HP-301056.raw; RAW_FILE_NAME=0165re_XAV_EDIA_CP-301056.raw; RAW_FILE_NAME=0165_XAV_EDIA_CN-301056.raw; RAW_FILE_NAME=0165_XAV_EDIA_HN_301056.raw SUBJECT_SAMPLE_FACTORS M0369 301052 mother.child:Mother RAW_FILE_NAME=0166_XAV_EDIA_HP-301052.raw; RAW_FILE_NAME=0166re_XAV_EDIA_CP-301052.raw; RAW_FILE_NAME=0166_XAV_EDIA_CN-301052.raw; RAW_FILE_NAME=0166_XAV_EDIA_HN_301052.raw SUBJECT_SAMPLE_FACTORS M0369 301239 mother.child:Child RAW_FILE_NAME=0167_XAV_EDIA_HP-301239.raw; RAW_FILE_NAME=0167re_XAV_EDIA_CP-301239.raw; RAW_FILE_NAME=0167_XAV_EDIA_CN-301239.raw; RAW_FILE_NAME=0167_XAV_EDIA_HN_301239.raw SUBJECT_SAMPLE_FACTORS M0369 301053 mother.child:Child RAW_FILE_NAME=0168_XAV_EDIA_HP-301053.raw; RAW_FILE_NAME=0168re_XAV_EDIA_CP-301053.raw; RAW_FILE_NAME=0168_XAV_EDIA_CN-301053.raw; RAW_FILE_NAME=0168_XAV_EDIA_HN_301053.raw SUBJECT_SAMPLE_FACTORS M0744 301564 mother.child:Mother RAW_FILE_NAME=0169_XAV_EDIA_HP-301564.raw; RAW_FILE_NAME=0169re_XAV_EDIA_CP-301564.raw; RAW_FILE_NAME=0169_XAV_EDIA_CN-301564.raw; RAW_FILE_NAME=0169_XAV_EDIA_HN_301564.raw SUBJECT_SAMPLE_FACTORS M0744 301565 mother.child:Child RAW_FILE_NAME=0170_XAV_EDIA_HP-301565.raw; RAW_FILE_NAME=0170re_XAV_EDIA_CP-301565.raw; RAW_FILE_NAME=0170_XAV_EDIA_CN-301565.raw; RAW_FILE_NAME=0170_XAV_EDIA_HN_301565.raw SUBJECT_SAMPLE_FACTORS M0744 301566 mother.child:Child RAW_FILE_NAME=0171_XAV_EDIA_HP-301566.raw; RAW_FILE_NAME=0171re_XAV_EDIA_CP-301566.raw; RAW_FILE_NAME=0171_XAV_EDIA_CN-301566.raw; RAW_FILE_NAME=0171_XAV_EDIA_HN_301566.raw SUBJECT_SAMPLE_FACTORS M0744 301563 mother.child:Mother RAW_FILE_NAME=0172_XAV_EDIA_HP-301563.raw; RAW_FILE_NAME=0172re_XAV_EDIA_CP-301563.raw; RAW_FILE_NAME=0172_XAV_EDIA_CN-301563.raw; RAW_FILE_NAME=0172_XAV_EDIA_HN_301563.raw SUBJECT_SAMPLE_FACTORS M0744 301568 mother.child:Child RAW_FILE_NAME=0173_XAV_EDIA_HP-301568.raw; RAW_FILE_NAME=0173re_XAV_EDIA_CP-301568.raw; RAW_FILE_NAME=0173_XAV_EDIA_CN-301568.raw; RAW_FILE_NAME=0173_XAV_EDIA_HN_301568.raw SUBJECT_SAMPLE_FACTORS M0744 301806 mother.child:Child RAW_FILE_NAME=0174_XAV_EDIA_HP-301806.raw; RAW_FILE_NAME=0174re_XAV_EDIA_CP-301806.raw; RAW_FILE_NAME=0174_XAV_EDIA_CN-301806.raw; RAW_FILE_NAME=0174_XAV_EDIA_HN_301806.raw SUBJECT_SAMPLE_FACTORS M0018 300034 mother.child:Mother RAW_FILE_NAME=0175_XAV_EDIA_HP-300034.raw; RAW_FILE_NAME=0175re_XAV_EDIA_CP-300034.raw; RAW_FILE_NAME=0175_XAV_EDIA_CN-300034.raw; RAW_FILE_NAME=0175_XAV_EDIA_HN_300034.raw SUBJECT_SAMPLE_FACTORS M0018 300171 mother.child:Child RAW_FILE_NAME=0176_XAV_EDIA_HP-300171.raw; RAW_FILE_NAME=0176re_XAV_EDIA_CP-300171.raw; RAW_FILE_NAME=0176_XAV_EDIA_CN-300171.raw; RAW_FILE_NAME=0176_XAV_EDIA_HN_300171.raw SUBJECT_SAMPLE_FACTORS M0018 300085 mother.child:Child RAW_FILE_NAME=0177_XAV_EDIA_HP-300085.raw; RAW_FILE_NAME=0177re_XAV_EDIA_CP-300085.raw; RAW_FILE_NAME=0177_XAV_EDIA_CN-300085.raw; RAW_FILE_NAME=0177_XAV_EDIA_HN_300085.raw SUBJECT_SAMPLE_FACTORS M0018 300081 mother.child:Child RAW_FILE_NAME=0178_XAV_EDIA_HP-300081.raw; RAW_FILE_NAME=0178re_XAV_EDIA_CP-300081.raw; RAW_FILE_NAME=0178_XAV_EDIA_CN-300081.raw; RAW_FILE_NAME=0178_XAV_EDIA_HN_300081.raw SUBJECT_SAMPLE_FACTORS M0018 300082 mother.child:Child RAW_FILE_NAME=0179_XAV_EDIA_HP-300082.raw; RAW_FILE_NAME=0179re_XAV_EDIA_CP-300082.raw; RAW_FILE_NAME=0179_XAV_EDIA_CN-300082.raw; RAW_FILE_NAME=0179_XAV_EDIA_HN_300082.raw SUBJECT_SAMPLE_FACTORS M0018 300083 mother.child:Mother RAW_FILE_NAME=0180_XAV_EDIA_HP-300083.raw; RAW_FILE_NAME=0180re_XAV_EDIA_CP-300083.raw; RAW_FILE_NAME=0180_XAV_EDIA_CN-300083.raw; RAW_FILE_NAME=0180_XAV_EDIA_HN_300083.raw SUBJECT_SAMPLE_FACTORS M0792 301485 mother.child:Child RAW_FILE_NAME=0181_XAV_EDIA_HP-301485.raw; RAW_FILE_NAME=0181re_XAV_EDIA_CP-301485.raw; RAW_FILE_NAME=0181_XAV_EDIA_CN-301485.raw; RAW_FILE_NAME=0181_XAV_EDIA_HN_301485.raw SUBJECT_SAMPLE_FACTORS M0792 301739 mother.child:Child RAW_FILE_NAME=0182_XAV_EDIA_HP-301739.raw; RAW_FILE_NAME=0182re_XAV_EDIA_CP-301739.raw; RAW_FILE_NAME=0182_XAV_EDIA_CN-301739.raw; RAW_FILE_NAME=0182_XAV_EDIA_HN_301739.raw SUBJECT_SAMPLE_FACTORS M0792 301484 mother.child:Child RAW_FILE_NAME=0183_XAV_EDIA_HP-301484.raw; RAW_FILE_NAME=0183re_XAV_EDIA_CP-301484.raw; RAW_FILE_NAME=0183_XAV_EDIA_CN-301484.raw; RAW_FILE_NAME=0183_XAV_EDIA_HN_301484.raw SUBJECT_SAMPLE_FACTORS M0792 301487 mother.child:Child RAW_FILE_NAME=0184_XAV_EDIA_HP-301487.raw; RAW_FILE_NAME=0184re_XAV_EDIA_CP-301487.raw; RAW_FILE_NAME=0184_XAV_EDIA_CN-301487.raw; RAW_FILE_NAME=0184_XAV_EDIA_HN_301487.raw SUBJECT_SAMPLE_FACTORS M0792 301483 mother.child:Mother RAW_FILE_NAME=0185_XAV_EDIA_HP-301483.raw; RAW_FILE_NAME=0185re_XAV_EDIA_CP-301483.raw; RAW_FILE_NAME=0185_XAV_EDIA_CN-301483.raw; RAW_FILE_NAME=0185_XAV_EDIA_HN_301483.raw SUBJECT_SAMPLE_FACTORS M0792 301482 mother.child:Mother RAW_FILE_NAME=0186_XAV_EDIA_HP-301482.raw; RAW_FILE_NAME=0186re_XAV_EDIA_CP-301482.raw; RAW_FILE_NAME=0186_XAV_EDIA_CN-301482.raw; RAW_FILE_NAME=0186_XAV_EDIA_HN_301482.raw SUBJECT_SAMPLE_FACTORS M0568 301276 mother.child:Child RAW_FILE_NAME=0187_XAV_EDIA_HP-301276.raw; RAW_FILE_NAME=0187re_XAV_EDIA_CP-301276.raw; RAW_FILE_NAME=0187_XAV_EDIA_CN-301276.raw; RAW_FILE_NAME=0187_XAV_EDIA_HN_301276.raw SUBJECT_SAMPLE_FACTORS M0568 301274 mother.child:Mother RAW_FILE_NAME=0188_XAV_EDIA_HP-301274.raw; RAW_FILE_NAME=0188re_XAV_EDIA_CP-301274.raw; RAW_FILE_NAME=0188_XAV_EDIA_CN-301274.raw; RAW_FILE_NAME=0188_XAV_EDIA_HN_301274.raw SUBJECT_SAMPLE_FACTORS M0568 301275 mother.child:Child RAW_FILE_NAME=0189_XAV_EDIA_HP-301275.raw; RAW_FILE_NAME=0189re_XAV_EDIA_CP-301275.raw; RAW_FILE_NAME=0189_XAV_EDIA_CN-301275.raw; RAW_FILE_NAME=0189_XAV_EDIA_HN_301275.raw SUBJECT_SAMPLE_FACTORS M0568 301278 mother.child:Child RAW_FILE_NAME=0190_XAV_EDIA_HP-301278.raw; RAW_FILE_NAME=0190re_XAV_EDIA_CP-301278.raw; RAW_FILE_NAME=0190_XAV_EDIA_CN-301278.raw; RAW_FILE_NAME=0190_XAV_EDIA_HN_301278.raw SUBJECT_SAMPLE_FACTORS M0568 301776 mother.child:Child RAW_FILE_NAME=0191_XAV_EDIA_HP-301776.raw; RAW_FILE_NAME=0191re_XAV_EDIA_CP-301776.raw; RAW_FILE_NAME=0191_XAV_EDIA_CN-301776.raw; RAW_FILE_NAME=0191_XAV_EDIA_HN_301776.raw SUBJECT_SAMPLE_FACTORS M0568 301029 mother.child:Mother RAW_FILE_NAME=0192_XAV_EDIA_HP-301029.raw; RAW_FILE_NAME=0192re_XAV_EDIA_CP-301029.raw; RAW_FILE_NAME=0192_XAV_EDIA_CN-301029.raw; RAW_FILE_NAME=0192_XAV_EDIA_HN_301029.raw #COLLECTION CO:COLLECTION_SUMMARY The participating women collected stool samples at home or in the delivery CO:COLLECTION_SUMMARY hospital. Infant stool samples were collected by the mothers at home and stored CO:COLLECTION_SUMMARY in the household freezer (−20°C) until the next visit to the study center. CO:COLLECTION_SUMMARY The samples were then shipped on dry ice to the EDIA Core Laboratory in CO:COLLECTION_SUMMARY Helsinki, where the samples were stored at −80°C. CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY NA #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Stool samples were homogenized in 10 μL of water per milligram stool sample SP:SAMPLEPREP_SUMMARY weight using a bead mill (TissueLyser II; Qiagen) and the aqueous homogenates SP:SAMPLEPREP_SUMMARY were aliquoted for metabolite profiling analyses. LC-MS samples were prepared SP:SAMPLEPREP_SUMMARY for four profiling methods as follows: HILIC-pos: Metabolites were extracted by SP:SAMPLEPREP_SUMMARY adding 90 μL of 74.9:24.9:0.2 v/v/v acetonitrile/methanol/formic acid SP:SAMPLEPREP_SUMMARY containing stable isotope-labeled internal standards (valine-d8, Isotec; and SP:SAMPLEPREP_SUMMARY phenylalanine-d8, Cambridge Isotope Laboratories; Andover, MA) to a 10 μL SP:SAMPLEPREP_SUMMARY aliquot of stool homogenate or plasma. Samples were vortexed and then SP:SAMPLEPREP_SUMMARY centrifuged (10 min, 9,000 x g, 4°C) to pellet protein precipitates. SP:SAMPLEPREP_SUMMARY Supernatants were transferred to glass autosampler vials containing inserts for SP:SAMPLEPREP_SUMMARY LC-MS analysis. C8-pos: Lipids were extracted by adding 190 μL of isopropanol SP:SAMPLEPREP_SUMMARY containing 1-dodecanoyl-2-tridecanoyl-sn-glycero-3-phosphocholine as an internal SP:SAMPLEPREP_SUMMARY standard (Avanti Polar Lipids; Alabaster, AL) to a 10 μL aliquot of stool SP:SAMPLEPREP_SUMMARY homogenate or plasma. Samples were vortexed and then centrifuged (10 min, 9,000 SP:SAMPLEPREP_SUMMARY x g, ambient temperature) to pellet protein precipitates. Supernatants were SP:SAMPLEPREP_SUMMARY transferred to glass autosampler vials containing inserts for LC-MS analysis. SP:SAMPLEPREP_SUMMARY HILIC-neg: Metabolites were extracted by adding 120 μL of 80% methanol SP:SAMPLEPREP_SUMMARY containing inosine-15N4, thymine-d4 and glycocholate-d4 internal standards SP:SAMPLEPREP_SUMMARY (Cambridge Isotope Laboratories; Andover, MA) to a 30 μL aliquot of stool SP:SAMPLEPREP_SUMMARY homogenate or plasma. Samples were vortexed and then centrifuged (10 min, 9,000 SP:SAMPLEPREP_SUMMARY x g, 4°C) to pellet protein precipitates. Supernatants were transferred to SP:SAMPLEPREP_SUMMARY glass autosampler vials containing inserts for LC-MS analysis. C18-neg: SP:SAMPLEPREP_SUMMARY Metabolites were extracted by adding 90 μL of methanol containing PGE2-d4 as an SP:SAMPLEPREP_SUMMARY internal standard (Cayman Chemical Co.; Ann Arbor, MI) to a 30 μL aliquot of SP:SAMPLEPREP_SUMMARY stool homogenate or plasma. Samples were vortexed and then centrifuged (10 min, SP:SAMPLEPREP_SUMMARY 9,000 x g, 4°C) to pellet protein precipitates. Supernatants were transferred SP:SAMPLEPREP_SUMMARY to glass autosampler vials containing inserts for LC-MS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Phenomenex Luna NH2 (150 x 2.1mm, 3um) #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 Raw data were processed using TraceFinder 3.3 software (Thermo Fisher MS:MS_COMMENTS Scientific; Waltham, MA) and Progenesis QI (Nonlinear Dynamics; Newcastle upon MS:MS_COMMENTS Tyne, UK). Metabolite identities were confirmed using authentic reference MS:MS_COMMENTS standards or reference samples. MS:MS_RESULTS_FILE ST002246_AN003668_Results.txt UNITS:Unitless Abundances Has m/z:Yes Has RT:Yes RT units:Minutes #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Unitless Abundances MS_METABOLITE_DATA_START Samples 300099 300186 300097 300047 300095 300096 301071 300382 300385 300383 300386 300256 301646 301174 301176 301173 301178 301175 301582 301089 301087 301088 301086 301091 300365 301020 301022 301250 301021 301024 301613 301124 301123 300439 301126 301127 300278 300279 300282 300419 300281 300283 301865 301864 301637 301868 301867 302526 301290 301540 301547 301541 301545 301816 300112 300110 300109 300111 300066 300211 300513 300508 300512 300509 301151 300511 301031 301035 301236 300390 301032 301033 301082 301340 300420 301083 301081 301085 300421 301098 301103 301101 301330 301099 300476 300472 300474 301132 300471 300473 300234 300148 300150 300070 300147 300151 300350 300352 300505 300236 300349 300348 300202 300203 300199 300200 300299 300198 301293 301837 301537 301834 301534 301535 301003 301002 301001 301005 300322 301181 301047 301051 301048 301046 301253 301049 301490 301809 301492 301260 301488 301489 301271 301068 300381 301065 300379 300378 300122 300126 300220 300123 300127 300125 301695 301696 301699 301698 301432 301936 301265 301562 301266 301264 301262 301261 301679 301404 301401 301400 301403 301405 301054 300396 301056 301052 301239 301053 301564 301565 301566 301563 301568 301806 300034 300171 300085 300081 300082 300083 301485 301739 301484 301487 301483 301482 301276 301274 301275 301278 301776 301029 Factors mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Child mother.child:Mother mother.child:Mother mother.child:Child mother.child:Mother mother.child:Child mother.child:Child mother.child:Child mother.child:Mother thymine-d4 821508 550289 721184 757300 662367 737907 423153 662639 359090 608876 394844 538276 629133 584938 956476 531855 874630 1095718 551454 906470 291839 1000642 328600 748942 548365 707836 458677 527610 643321 994447 554451 711166 677335 473183 552105 370847 811487 782322 442806 805300 827274 418203 629973 716852 628086 438370 496123 410797 673738 780030 233588 803033 949272 469344 902036 688568 671312 1053202 1074398 770741 459647 919706 547017 1055520 2259757 467901 338270 364423 503284 669829 863407 539692 339681 401909 411952 262692 416078 412385 654312 479811 688471 710680 571799 524067 797216 630294 977402 617201 526076 667105 430827 757247 468588 686773 776909 656841 513874 283347 500171 295948 556409 357343 490883 609241 735654 667268 718549 602390 412760 795453 258460 292839 879837 417298 727236 829804 407751 661046 335942 392355 697219 675695 578885 445079 772264 521029 616045 977422 434432 684758 405866 795561 382714 297815 391434 426352 304336 461744 566369 268191 518599 543416 489733 544265 587625 795047 457807 665553 124289 322151 234653 535568 301083 932074 737098 502993 299256 614748 724743 876553 569775 842672 680965 496693 564948 392603 519379 626608 270165 783280 899270 320302 757865 476425 598073 421106 598966 836132 957069 376075 758928 412582 806666 641476 442766 654173 739188 425258 304033 829057 757374 669919 inosine-15N4 668226 430106 558211 561770 529533 657687 413972 576380 324300 528415 363905 404798 494885 435309 619228 417821 524333 620225 476517 634897 245091 698661 288294 574738 387734 498443 383560 447652 555201 602931 574906 564556 611931 453207 693841 295360 672307 571443 322478 607357 790518 264092 487895 576683 469443 310846 329202 422024 397880 469782 216988 576422 546233 419272 556782 478284 617140 613993 685530 522683 364289 506164 373158 734251 690299 382474 326614 274341 468536 394386 593239 429870 439393 354085 277245 306018 281919 414987 560444 493810 492173 513656 383809 498545 564897 458321 539514 519441 345159 456930 347749 522686 320583 445641 474175 511417 509196 182996 353401 272601 564283 261244 464981 387666 516872 502362 443452 370532 251312 576754 165419 196370 512035 397171 441764 448419 282591 379687 208705 373328 452552 620977 472506 317969 628919 474709 404998 637085 467225 425991 238213 489963 402519 227419 255703 480961 423814 632254 426971 187645 391408 359043 341289 358419 408509 468550 333616 378759 586777 275746 176110 343857 202614 537462 491617 444366 160626 521098 433076 524832 519808 630496 437957 362729 386719 267218 378715 377578 239397 549655 645607 246709 485508 355585 394258 292810 482216 690000 618176 201978 627624 388885 583700 478286 339865 497796 550261 277004 334195 588995 493737 427311 glycocholate-d4 22442545 13686538 19622509 21254860 19209424 22398687 13107618 17385632 14612777 15174484 12935506 15998804 17056912 15571735 19002671 16903516 16912315 21513627 14840691 17918307 9143934 18108167 11016791 19713661 17758288 19716497 12692270 15290101 15900249 21232642 17237606 18374842 18961485 16035535 19714951 11925866 16789731 14304924 13474396 17218469 17820834 11794596 15830162 18191961 18831166 12297332 12907995 14816791 16101631 16589840 11279708 20360601 19911028 14172093 28952051 12490543 24988885 16826649 23356154 16468153 14179439 17685545 13733293 20560905 16260351 11550992 10080243 8984716 12431059 23811917 26750930 15917138 15648634 14493231 12377696 12122112 10380204 17953094 15651796 13823942 16672362 15648843 13007005 13290587 15678574 17183994 30516027 14118073 13178200 25195829 13329557 16906463 12548017 15927579 17735326 15999355 17568988 9012699 15168991 11290730 17561614 11791481 15549982 16747172 16510592 17297593 14518335 16600367 9112636 13974494 6179873 6972671 18507956 10395129 17694559 18219467 10715556 16933874 9390672 11644869 22048255 15605222 15078831 14877851 21349926 13709080 12429646 21028022 12524460 15804204 9194054 14474813 12013874 8225030 11211948 12309318 12641104 16829332 14780399 7351712 11696026 14121389 12603423 16487187 12320398 15687542 15072821 13754809 26414517 9605261 7330765 10911376 7518698 19980659 16792010 13912100 8895307 15520759 16058440 17112837 19473286 17570449 14306410 11798289 12840040 11038835 12951202 12739417 9235680 20229618 22691187 8704531 19982844 10424938 16363413 10286576 16856324 18424881 20677056 10169898 18908637 10653228 18395923 16665020 12207044 14377472 14993257 11890312 10155097 18559976 19251228 16386907 1-methylurate 5268162 37478031 23269714 4997108 1041733 47352258 29101171 176164844 508594 66089341 80947271 3787357 7491590 2303514 55525285 13576295 39408894 56869208 167852947 184570680 237410667 355478118 78009484 256891208 338814 974011 37094117 8263820 135667635 50562542 53165425 51423020 134812311 11969973 137762579 1463519 55906520 185281094 40088436 10022767 149427551 55310770 25977868 57370298 26766180 54404672 26046977 21146351 4142858 59054971 12236772 143090095 164008806 183399579 45654449 41047601 4879833 84744998 1532978 32010026 960411 93975466 131541 170687104 7554014 197175302 33422073 20728851 8358464 12497811 61117239 70759238 163167905 43418277 1213704 245747198 783040 11800273 2496128 122539144 38059889 17205172 52526399 148852744 264759230 1460432 105217630 73026376 2290133 143361051 190851485 204309074 83143143 19554710 155192202 32412613 20287555 41163864 28010468 2610539 491841725 1217876 266656161 1701488 238192004 263574513 269385107 4800076 1756522 25654218 904796 27043585 112389530 255867381 132032072 139292912 19562482 137233491 1724993 5123222 17021154 7358317 23726108 26649737 20091123 22988160 15079284 100491893 99268511 13445417 567170 27371390 169109307 212113 331417 309081132 172191667 112818032 108194167 278596 7756406 54007740 1517123 22299682 266269140 445476244 64301137 236398246 14776184 16611518 1512526 325150615 1351667 26724558 97444179 61338834 3351730 242138 15455170 37092655 22924070 9247855 82924724 443270 54370145 190646 2163452 30984643 12727932 161522577 41398236 33606622 78779120 19609420 14918909 122966580 6412755 16830536 34677477 5129179 29756058 3656731 25655309 7565565 9126790 38380231 182682613 43231237 126541897 249422746 69752202 8605358 2-aminoadipate 96877 304873 61968 472960 219882 55044 325615 174358 263643 85118 117859 264962 479054 577214 125638 433314 59327 125176 463343 166860 151312 504723 227377 134599 211452 105426 193664 118573 154917 360960 218493 481428 348075 345856 731778 394869 77045 540056 396394 369272 452672 601025 218269 531115 278274 690683 168456 255837 148530 317647 199303 189942 125459 277367 220800 319483 556305 361451 492137 148248 185868 717347 724650 396639 288173 1594695 859728 442048 928630 304335 478645 325578 454720 309875 441503 313220 471768 741600 376076 252128 229720 539527 156878 304959 302291 76558 148504 226639 577672 576558 208133 179503 132030 1034114 253970 377255 482815 124385 469716 234350 324368 99578 1426214 161778 530685 154975 73228 325677 196091 252230 250780 426679 121858 160644 427230 472198 222649 102433 133053 278827 603074 440863 178692 132269 176849 816196 157696 259448 796837 168667 277498 227451 223091 390380 275090 193490 280348 855485 365447 112716 335489 235280 283901 133228 259330 692440 217068 325258 188995 213205 375260 1428418 532075 544425 855861 410025 245430 271161 77978 91020 251433 70992 338631 77026 2572010 455064 62752 251216 169940 133678 275887 958235 2-aminobutyrate 3375391 3640065 1173578 1007302 1410454 1420054 3872936 2460010 7540404 1379261 40142619 3526662 10267014 36526132 10849927 27860069 5547052 2451553 7066584 4668874 3596526 1680130 853067 8628089 3127437 2974782 1629238 5046950 1640877 733917 4625779 1184300 1658683 1931678 5672430 1139823 3207191 6522823 5090803 1312912 1223367 2780442 2833725 1629465 1056673 1384431 4762728 16366519 1397648 2482248 1171901 2189317 2703235 26568195 4713257 1328345 1162071 1681167 2185051 26093102 3610292 2420482 1791239 1213685 2273047 1605733 1930132 6960570 3015390 1019215 3922217 10563948 2024251 8274075 6417240 2178437 2900810 3365433 10547028 4137941 1420615 8556156 1409123 1008368 1422199 1643203 968513 17374058 2006593 1956053 9429303 2212720 2312658 1077056 3378936 6088050 3930971 34562496 3788900 1678781 1964946 3363674 2915498 1184291 8841635 6355611 5582620 2460685 2879090 467632 1132086 33526412 1191340 3392372 1551609 826271 2117935 5876570 1069983 23748621 2281931 25403160 674553 1742894 30521457 10262835 765144 4504492 659990 24888105 825986 447625 8421871 1269394 1341695 6679640 1321293 944808 9005013 875779 598318 2507736 928152 2190769 1567919 1699716 1175011 915504 753589 8604433 1720603 2100371 1193966 1995777 980608 603740 1110006 1441509 680476 664524 1805514 967866 1859200 1720425 3641538 1277812 4316696 1821691 2733064 1593606 2577662 2305833 2873390 3598645 956026 5798587 4553190 638507 380498 2271225 514780 2809190 469726 1159610 3963121 3395843 1057561 1859607 7184992 1832438 3345359 2946894 2-aminoheptanoate 196582 194779 678241 176531 97062 581167 1310878 952093 1517958 322780 958091 283566 253057 137765 1036358 5827943 616881 1670195 238846 603684 985449 203147 537084 797426 1710979 574211 100278 1955132 2195741 833286 107457 213497 273030 225334 149320 2241342 2048712 508927 1207902 1925200 926865 163070 90105 952780 1287853 541562 239480 177396 599537 253947 241621 98363 1881752 256461 99999 512764 51531 693071 92949 65598 275202 402107 1061700 1034582 78867 530741 589355 58771 55432 1558654 395863 996044 140782 2-hydroxy-3-methylbutyrate 202131838 31778006 107256237 5954307 2498867 26618576 16438212 26963812 3900800 16506823 22600688 4320316 186788349 26085124 276431938 51178287 135779012 59561680 60583567 32295596 1899468 35082458 2731165 84614540 4848534 4779803 4952226 45487209 30945499 183165995 170043481 14613445 20390467 3434945 78081523 2872411 63007565 137514475 5447245 13674542 61623625 2679028 25792615 29742315 4988782 6833043 51628628 122148313 3013499 62630995 3204008 118705113 25881691 331520201 129031254 258711502 6275048 80511344 79915161 232266899 3075241 84549795 2580538 18692144 23467043 73759459 13849874 15987041 16446414 19574537 19957221 96317171 66995724 149296730 7285875 43913325 3481153 16476094 2640895 36423978 2139593 50971962 12975050 45625912 17103171 4421363 8045544 99182832 4694801 37575827 30993650 132894505 1562682 8161023 170889859 221701011 6406545 12360984 2686294 4481888 27272840 3006098 220962546 5172029 132098151 102429688 66945996 10233419 1840962 7500086 612078 106953853 75882270 6870374 8238170 7431610 5947958 21429028 4680223 100831487 3516437 335559101 46504946 3961941 428010155 290567709 14954734 122701715 61910751 109602553 5013809 80371827 83170173 4048478 5743377 65780223 21087359 8352975 181619637 4326412 97220855 9638447 7529494 112176012 104559158 46122798 4820839 57613117 7343497 110112671 2551417 85325857 4474652 43262562 36072804 33902328 16270517 6460504 130476276 102637390 150537549 4880505 38647620 5822782 26997583 4951192 44940988 50627028 3125103 141170217 76780274 3264520 75311551 16839027 13018500 24232817 86241710 54202356 15486247 4071275 24450153 77863886 94636264 120066571 5019665 184102872 60699390 3853991 25266200 134237489 125099957 4719360 2-hydroxy-3-methylpentanoate 161421853 40464746 73536644 7109562 1472343 40427589 23697255 83653356 5315856 74309869 25261608 4613893 308879456 15887535 597403542 62136272 229991881 303887357 94832675 34738565 1153980 58032306 119228584 1532014 2699960 12727476 91296065 71060811 169515153 184717333 17438094 41939580 5306941 28804360 4503976 165846993 392411343 5847537 12479833 26477093 3222168 24402817 44144463 2308253 10642665 50130376 101896776 3908327 77369372 2132942 447594656 8757644 565486832 175078531 420108236 4806662 126179439 94112482 414949485 2757391 174116273 1898643 18277518 27759544 67156919 9350480 31839969 17980636 12542348 25528453 154418297 77605684 184075308 6162102 101298239 4081163 48300183 4875716 75969249 3233972 45064701 16662226 71598349 29976734 930424 48106972 111581871 3674432 150769401 55999404 175640790 1151380 4643195 347231957 378133229 8580344 16628803 3289208 5937396 49283823 5240303 341368117 2136437 422920753 432784569 87152360 5785242 1915775 9535706 807137 186470630 199538975 64995349 16223764 10746024 4480439 35863087 2339336 148278667 2733376 403142470 28064786 2435572 426632131 301649080 46802607 91455147 190919765 106877642 1614461 170784726 81463091 1742737 1938806 137287157 71443218 55652368 529927100 4862583 145746240 14925088 9499916 178050971 145250598 71648234 2372410 75828811 3624275 187199964 1702272 123832709 3427944 40638594 46070422 57123974 13597606 6054864 192792563 143587397 251907773 2723114 17838231 6020737 15164320 1567631 33887264 21256003 1640015 367962523 211218483 1381948 166142017 18343568 6628771 88412211 160312279 91198209 26675935 2693620 24428680 89936807 219737263 106697106 1496224 621575463 71965179 1410302 35614598 152881956 116963082 1628330 2-hydroxyglutarate 817125067 251574151 883729115 52444364 39508762 379053858 1131358317 172191144 23584760 425751418 986343623 38771035 546001570 18496192 263795729 88197849 305717669 57533317 1057635929 529080811 23535844 221241957 27824952 582694775 37992718 43425839 997333558 672712721 233094149 413785052 1059633829 894411465 320211492 43245689 1045762166 26509918 444150957 468186551 12114721 577618127 404875069 23291855 421189402 124096619 15925827 24216418 870219470 935171901 22932197 288435231 23944094 243503927 219560751 866132155 436635840 231178756 57712001 275636775 119864157 513433356 29510330 89283036 23087920 68201083 312922320 209525531 322314553 403379145 1090810075 51701433 342905598 634179860 358315774 1167447788 42341380 351531303 37737302 240494116 18524246 296780321 31977673 885591339 1394311276 579508196 626180446 37919113 230787162 1067844601 41329903 154529030 1059470751 689894496 29396555 28951370 444482517 1511738873 828398391 356261571 301817652 20074097 503479441 37162611 607970508 60420550 518753694 429159692 412327086 45471730 8908153 755201131 23395398 1409957124 184169986 1420723138 453039248 203911998 30400562 163610872 20212252 1346928894 38745069 206441381 166005304 25930556 420111248 186435435 156765074 723420976 473119568 92755740 16442307 264160047 1041209452 26301401 31281368 943264138 543901761 412494435 656118088 34916273 501826669 398213502 63034714 557880340 468667908 231729109 26921196 580759429 28754185 387397564 11804937 1065596294 28964859 286801906 302025831 494638769 40134524 53132948 195312562 108168661 226403509 9117493 254811888 48715403 485086723 44803055 552784813 819553135 19232026 352570264 773299853 32869548 507696697 925459691 39934678 444539151 515942449 426518250 183078096 14895666 426989866 1051806177 301809589 444779453 29020154 121764652 649240747 36556793 445768436 942913389 290085596 47729909 2-isopropylmalate 8010954 6131581 16453736 8245727 5578807 13075791 18338244 7341522 2692446 63382262 39113389 7015442 104702412 16259330 4191893 27623381 71790880 3866872 40772843 14564970 4679081 8449880 2846011 16891073 5493673 6258938 12544284 3976351 7427277 129864700 34338253 70703525 39308618 4894232 65217066 1681904 5899646 9339878 7981948 56031412 27244439 6589364 5791723 17476935 4781733 2517896 11835240 36017161 1833357 10827078 5743971 27577870 69326672 62576505 14260322 7413888 7878800 3767198 20224884 33814179 1582555 20497776 1435637 6312315 18672806 127077568 61964220 14750049 32417512 9326384 22688144 131845522 46560001 5029286 235663662 626225 53297917 822699 24886412 2459144 57908773 95329499 65330775 71354281 4621496 13082171 47822199 7071978 12456674 6675372 17218257 3304728 3295967 9694007 118513437 8324847 1265189 2201181 1334233 20514962 1750410 14446976 3562904 5973561 8013155 34808119 3096784 494963 10224505 1937596 39688139 4350614 5067631 43051069 8656030 3228544 18339195 3187073 60421082 7773861 9708452 8291772 1993964 94048011 9600357 34846173 148435868 34965235 134600600 2126796 22615665 91194761 816441 4425293 30311017 92930119 20549467 204103426 2261388 138349656 130039727 7575969 85291089 3708149 6613452 5112647 12811913 8890640 87379768 668316 24793018 1447511 13823711 5739365 15433562 2372904 3352613 17156196 7011425 24541241 4913017 139187092 1749187 218591513 2450634 74396699 46718707 1674467 7953004 74727597 2470704 51276557 6006022 74262944 3928578 5983829 10132158 4580851 2477052 14503159 46321773 18333807 9726880 2059350 5594918 33709687 1882393 46195555 4137557 49756806 2726686 3-3-hydroxyphenylpropionate 53949263 904950 489590 593222 344521 85414051 1563455 270332 404473 569307 994191 814947 929164 466365 2273659 9012580 742251 1434305 301746111 1625683 5794766 3004556 4191957 8693887 11167 4935664 25358240 1690524 1691662 146296033 47365759 146030291 697482 586446 8229 1253333 8363711 292387 757910 13480645 4987995 12412278 15373179 3119451 35847425 1105019 5066727 2387800 2486666 2332826 1674444 5007502 3445980 1457693 1278296 632323 6955207 2218232 396092 19464199 542057 13859248 708709 1042588 95549 255980 65263605 515435 841134428 3758860 1235088 738692 2160008 101997161 1274994 2428394 24239715 68790114 125623030 3660140 35688269 693327 477346 141958238 562442 392272 6078394 3-4-dihydroxyphenylglycol 1228162 3079153 917227 1742821 1141390 1702452 2118344 1614883 2223439 1938936 1209523 3-methyladipate/pimelate 2915957 7835136 2029280 10608151 17197416 2067358 2064843 2067572 19727689 1340865 1599940 41631388 2792512 8607490 2742716 12012950 2514212 2710134 2344477 3710803 76111505 2830462 93091349 3596959 21472349 21545196 1016430 2023752 1502600 2008678 3004684 2168745 1916092 25435837 2569882 23643026 1849617 1803602 18121597 3720509 1817610 29799290 1744260 2128381 12003017 18642284 1045067 1595470 23899299 1992930 37798638 2338022 2954384 2114383 2346789 1463907 24514790 1884506 23073295 1600533 41306890 2655306 13678092 2342155 2107436 1826648 6559273 1076359 2620866 6169781 7056250 2296070 2119558 1973307 41746058 1371599 34729329 1727917 22184068 1505649 37876044 2399674 3412114 1402383 1910499 9365176 2663663 3279517 22174902 1925829 3488597 1702166 13584535 5744445 2012742 1955981 2561241 55525061 7337981 49870756 1274023 29376364 1357423 38502282 1482228 1496890 1331199 42781563 34317357 9153430 24107611 744693 1160248 1405434 2033760 1459156 7420741 1424684 12513000 5446539 6397839 1645946 1403299 6665910 5215913 3617130 1058698 2530643 1038062 7704848 30548379 1532330 1371328 21489257 24684162 1355986 1272062 1066540 1271878 24744968 2098367 1009165 24605670 997188 1493154 1677637 5833265 1389161 13042532 1407266 19057403 1260199 23266481 1886435 1577369 1631118 10150365 15730912 1697020 1560880 1874722 9859365 1528711 33781402 1419072 29028888 2444791 1230074 10482648 1616388 1482764 7377764 1443560 2238208 5549212 15743830 1734786 1346453 1620014 25422800 1271425 18481980 1358959 1647332 21114427 2368978 1189171 20218352 703029 2301227 1541348 4190953 3-phosphoglycerate 4139 14981 28005 98867 81869 77110 9074 39032 4-hydroxybenzaldehyde 23901 21213 23001 26344 34269 20485 15120 18990 36274 22153 9817 44636 13503 33092 13370 42776 17058 10558 11840 30268 21583 11960 33044 21985 34353 31494 20610 14886 9506 5866 13041 35302 23257 49802 38138 21418 14543 9318 19824 9098 7235 38370 19334 20060 19610 14142 21172 31694 15099 58916 14243 91038 9881 14951 29639 15603 41502 19409 20486 12056 66817 15210 37946 73943 16673 69633 41088 33960 12402 14665 34016 268100 28084 79987 60478 54432 72909 107858 15273 73162 22091 17187 15665 112920 12858 20416 36111 7419 37283 85915 14849 71348 22043 14946 17756 63296 17901 61333 13689 52253 15627 22457 34794 32012 15958 50140 20537 31470 13031 12340 20456 20521 10062 15507 23757 22647 27564 8700 22058 7045 15547 12339 20715 33740 11992 7885 11683 8737 36968 23592 7037 8988 17811 25967 23040 47782 29433 15696 74278 77003 9106 68385 50721 15036 23302 25225 9521 16893 14813 53899 17817 55386 19290 11524 8437 28355 20788 27827 10035 7779 8881 18436 17408 22130 32013 34515 7812 10796 17015 5771 15313 24666 23515 13075 11064 6055 16047 5932 4383 17659 8017 9301 7067 9288 96375 16118 4235 41936 5326 7334 9185 18839 4-hydroxyphenylpyruvate 821669 769347 1032166 1937531 1485027 837316 1064558 35773 1104296 1412362 2469579 1225286 1547435 1155095 2319827 687025 1766471 2667300 1003231 1612352 2072402 1706404 943052 1316301 1832592 960390 2668016 2134016 30609 1663111 1557143 2511745 1940526 1007284 1862229 538630 1886585 2024874 1593224 1445337 521912 988236 1158328 1179024 512973 1637132 715868 965342 738430 793233 821184 1485649 1025220 705116 1065570 355721 1130601 863430 442262 1391009 1492419 24474 599530 835269 4-nitrophenol 323004 10678099 162345 2265151 735594 218635 14779988 832190 887850 2230287 4812627 586024 3098663 429282 550724 5833370 755204 335632 1207573 3597171 559902 251161 735076 1890129 507824 710316 196802 9195898 315476 773328 2030476 811121 364459 644229 2416247 483723 266679 1251062 2163537 3096986 1724844 2196139 849869 348204 673615 746191 4457712 8429828 134072 1631647 457670 422237 662009 4423444 536033 1037549 669435 899617 1315771 7874378 714045 834976 18866885 1340051 4009143 990488 1098739 3686698 9467158 1672628 868864 3502048 5121394 8703958 389637 4125332 333402 8272015 283476 925447 718220 1188112 16291774 745110 1716001 1125735 901260 12425269 1182116 853672 27205413 918363 5923648 3443747 854780 1956336 678182 5576120 1785597 560270 327997 349931 799876 6399060 454217 463083 806091 1841130 567454 16599500 290663 3943659 865261 1159531 751161 1061686 291153 811125 762423 126759116 1137132 3275818 919409 1187170 2355330 1617507 463669 3420538 1146646 2140527 481968 414375 2439034 1389422 2099417 2425807 978611 978291 2174887 500251 7155581 2080029 683202 714062 1272590 596688 147999 722094 224010 5225463 1219153 4882041 742630 468880 115549 107294 7114531 4877489 293322 264430 469099 7061952 983466 442973 1713121 292233 4647252 933214 378976 317872 719953 836590 1229238 8859738 531391 1764215 1867028 190318 174342 914375 253597 9563238 176816 1068052 837223 1657160 983300 425012 829476 735195 2787739 2579197 4-pyridoxate 14521 1624608 6719 346310 304544 2452 50710 15320 523283 11195 38507 699040 173972 427475 24481 434288 34719 24772 176881 5473 375434 5716 533322 14522 548306 577081 1358 496160 11722 29759 325612 5015 4528 247013 6984 255543 9755 17656 1269506 109935 30953 673510 7912 10938 531531 1134832 28428 57955 331594 7627 374092 11200 30233 82296 50780 46444 883150 59560 517936 57623 1119241 19407 499657 32960 155083 40877 245084 257207 431486 482375 16574 53837 44087 282291 831309 66686 894846 69417 459672 47826 1116790 168424 451697 60664 112188 505602 10411 85887 502309 47533 378521 48635 506406 285343 28704 126827 17438 34454 48323 304983 7828 777072 63720 20079 27226 43861 26034 49330 556819 403676 464068 90018 17544 67434 13658 9303 397847 25146 667484 72648 714728 84564 60426 445311 199987 119870 6771 24511 11746 399234 455314 18875 40902 835761 674205 52170 53335 20943 229034 665900 494368 362697 852956 351157 17516 16358 230163 19154 175001 66386 419418 49855 543423 14874 11571 9627 398317 812762 33790 28405 58002 706035 343538 1262834 308097 807442 402632 263512 556596 16632 17216 529353 8757 782002 388967 113219 69616 11433 9510 640784 13677 471418 19784 73887 1158373 360039 19281 529761 23367 72889 57402 349793 acetaminophen glucuronide 111517 67916 61359 62217 97298 81357 109404 249958 70519 73466 241427 148706 92443 128767 140256 93664 110809 729732 adenine 246068 116895 301569 13787 14427 343245 330025 459541 12796 357826 314284 14463 112491 14611 24557 18019 6282 10668 151681 228959 17489 41002 27291 140440 18433 15191 303001 324464 135695 1708 506534 100946 1144551 10691 122460 12765 100393 188691 37388 31562 13617 31911 826540 88279 45792 36576 358076 618636 19558 162747 44097 7890 4325 423843 12837 66302 64557 28487 35212 162313 58214 55215 84072 13858 18098 9884 17513 67521 248246 15685 52005 252693 2020016 818497 129008 1881653 137324 945826 14277 361867 30530 1681775 714979 55335 43209 36317 139281 106885 46011 98707 558274 40309 17096 27543 118844 423707 25675 21949 118733 16881 52076 21188 100501 15072 574983 80294 4062 22643 7114 17440 18671 1369975 9482 1720373 65989 5826 47639 10205 132888 6461 53621 168259 273635 11462 78935 790614 49814 12433 63051 79612 224138 15454 1036529 32154 146702 2767863 1990622 2277895 4176 9641 209421 18975 160875 115354 493599 453807 25611 245789 12514 317903 126079 1299491 141994 81549 163484 174217 113883 43058 5838 6774 5960 43075 233712 32192 459598 88823 8379 13839 108618 143107 8724 119290 7566 506987 75591 119279 173203 128010 358010 21421 266817 624447 97922 164157 144402 36648 5856 15739 9413 191987 13200 23175 adipate/methylglutarate 15375 61263 16034 174091 114321 21291 49264 17269 142134 15229 32401 279470 19846 57849 16670 88391 18093 16832 16118 25538 236691 27897 242100 22865 77526 107053 15686 18704 10579 17286 34691 52445 31385 182464 51584 217648 16512 15048 318608 51868 13383 291507 14194 16386 96617 186015 8663 15886 175106 15178 239887 19897 17837 37516 15686 12132 131399 17972 203564 13880 163098 27453 165592 21135 23489 16061 172258 15433 48539 88479 56371 19021 24913 47343 278099 52856 271692 36934 175536 19070 247097 25693 18661 14417 13671 134997 23415 15459 194583 18237 62175 19253 166832 141787 13053 27424 20873 58402 21694 214365 15252 210925 14295 257364 11739 11067 15845 273072 280475 28152 203639 5612 17942 9172 18605 14386 114049 15452 215755 16325 113952 67971 35681 89477 3739 78905 11530 19060 17130 149723 150749 25017 21002 147550 131087 14447 22998 22302 21852 163776 18474 15229 129341 12247 13590 11737 85348 13852 58223 18404 145571 9967 143385 14538 15042 20921 110520 132914 11978 14400 15192 61140 13476 186717 12321 184996 15135 9892 166931 18102 11713 91111 14081 13109 53932 18811 12478 11922 17917 103384 19926 74060 5641 19523 119945 12102 13095 170960 8827 15307 17522 87263 adonitol/arabitol 62727714 3789726 62950156 6333126 2259353 33029014 56065304 20430331 3208239 16944654 74604042 4136681 30916051 3049701 41195892 11729832 64168709 56148579 81348981 68109358 1443500 37563149 1338770 54095590 2825276 6598630 38186456 78997732 58109459 82393045 193519579 39038307 36954551 4599875 90203588 3515011 35786967 69948217 7136084 38770643 4774358 4955613 14335159 17666054 4594807 2833293 14703212 23370112 4245135 53985857 2524599 37460146 93862159 96109311 22927736 70477884 6226559 13234553 4085309 3717608 4479402 49629652 4328691 105825238 152544968 43108895 12765682 112900226 21375393 3340608 257356336 86597738 41234385 137859109 4705538 35207028 36025347 33257139 4623229 76008266 8389336 97378900 47490744 99587176 82456629 5095328 70866269 30713545 7618739 73420314 12791313 3600509 65310110 1463543 72365549 2705188 191527914 7893115 37058754 3179833 48448140 6113958 84184233 3831561 110094165 71144540 131675467 11062274 1203750 16784499 1311186 9367712 52814781 94878430 34991036 30043231 3702764 97224036 4665521 231485540 4081331 163445142 57370900 7308745 253118151 100359591 53870523 357908745 14252399 7058212 5839837 35861585 35780426 933275 5995127 39796409 35120044 56272958 4331686 10071922 61946082 4725421 10714294 23876488 175293400 135657770 1972596 209272438 12128344 8209292 5018963 110998983 6772802 45560399 35923549 48604597 7857074 9773088 91003976 98851824 114465511 4655170 4537779 9474096 8380754 3225737 24780124 74360022 3791816 45028479 53197790 5376946 46033757 77611431 3931140 106571920 79447340 12958003 25069812 8360262 36456348 4919765 59670510 74538806 2176964 140900054 98643584 4228984 33406348 128080836 54495493 2920617 alpha-glycerophosphate 194907 25760 16759 304920 201164 17450 113916 52337 75046 33172 36078 90960 108386 61165 44846 24105 49650 497410 332067 162867 48285 20690 162209 92192 54634 137537 286796 326961 317895 66622 139141 306246 16982 11906 167866 182307 222279 194213 255246 187158 12504 39200 178179 46617 46871 38738 285919 51617 222426 23701 20923 72437 166405 105715 58578 97145 97204 36373 852257 48165 245234 261523 79284 82793 120468 293546 21565 542048 27899 262072 40283 alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrate 68679089 5639163 28677864 5407971 2630316 14669209 28048748 17960042 3685665 16206096 76337164 6645715 49418932 16395277 62053049 14179315 63023328 14303670 14750357 59256457 1544340 10619650 1981008 8778306 8337942 5722263 8851787 28996283 18504593 14329567 22827766 24662118 67010734 7062825 30840111 3979932 19832150 127929894 8019929 10756392 30705913 7756471 18499130 8228337 4443851 3589436 26679004 37618781 1817187 23070774 5388826 35678346 9370483 65464251 52110925 18892613 17762540 28673994 8432818 21565105 2137147 4773882 5847428 6329093 4454612 5922511 5193450 9851346 13572479 4291636 9521222 64368948 36107656 49273420 3578812 33887929 1234443 8335239 2967461 18558155 3405881 40952875 24404974 22694633 12106180 7490110 18720791 22463757 11239039 26841408 30859664 45213124 5702271 5047864 65990291 189398158 33727482 55984361 38410520 5115152 21336445 2928525 100848134 1918287 20500928 13825120 59309539 2383549 2380700 3707508 1884986 16371125 30830955 12672360 9025450 7056688 13175107 10957738 6223219 47863864 3283644 99913750 21417306 3839099 76775637 56410628 10009159 30615697 10970658 20416511 6442155 9578635 48428255 1869826 4996261 11787416 13851469 9574139 32669469 1626536 22482190 31739742 3681150 49648847 11959055 15089677 4798630 12115003 3062485 14653558 2163895 49931250 3206853 14497255 18001047 9963489 7730476 6482942 23520238 19140295 46613435 3232114 39347315 1562300 16811466 1048595 29820982 41531226 2841692 30200943 30104886 5364088 18443430 14770145 11988004 16622773 10478891 5030940 4118894 4799416 6666803 17501526 16265143 18102360 6035742 17099597 47766547 2764402 43419989 42380609 76152326 4470263 alpha-keto-beta-methylvalerate/alpha-ketoisocaproate 12978 35318 13653 29680 61721 8492 33333 76384 99786 114376 8680 111523 12172 18269 40818 40687 58430 45900 53022 41220 57688 21814 63244 96798 66376 73554 53706 22173 53703 257720 23711 81427 26377 70955 137375 35965 49278 33303 29426 10954 94848 33992 10495 30456 34003 54139 12454 15815 45730 20335 46815 266131 57081 29948 276145 61079 41305 55858 48608 77426 83518 44419 87313 92899 13599 101084 68665 32742 12704 17254 106238 256105 34372 157866 145805 40724 168301 289395 23485 113782 78210 12205 22732 86281 44761 33274 119283 24373 63800 133249 37778 181631 43000 71598 24937 45199 9425 60965 3243 60395 23900 93524 114885 83350 20445 33903 44782 118761 34652 24991 56262 14201 40417 30923 75361 77700 38385 83692 34791 14883 27676 28100 21690 37805 35261 14317 133090 73942 179331 35672 32005 45253 26101 65012 57035 95386 48967 44745 224957 80619 49839 70097 109325 37690 18359 16397 16085 34860 29242 44200 28112 121005 44512 21674 13938 31700 53518 51433 78496 41155 38981 24189 36773 77908 45479 36149 12991 23888 44884 26145 30310 90568 62571 26439 19774 12430 23312 21519 9330 62651 15982 25500 15493 15981 342321 29990 8442 146021 40501 12602 84712 80525 alpha-ketoglutarate 5657 6376 9091 6618 15833 3569 48290 29283 18155 50546 6176 25377 12673 4338 4625 5078 2474 23678 30529 33808 16358 6686 16045 22845 12562 14668 36495 22863 16364 78374 5424 114932 17402 31933 40093 13410 9061 4845 2234 4193 24521 7277 8015 5857 7557 22272 5589 12241 8117 1438 13217 42605 30211 33434 26287 17539 11288 8614 4702 15979 51523 16383 22923 32027 4186 27976 20531 57654 12740 18598 135710 931433 27038 52881 28763 13339 52780 42036 13454 16404 30090 41109 19748 18297 37611 38829 69851 21670 19611 67217 46646 606158 62450 23719 17431 78891 16355 214159 16035 24336 16734 28847 36272 30592 9970 13163 30389 16565 15709 11674 66426 18370 12835 28187 19462 13371 42057 72995 13588 12428 20223 18618 26563 23065 105436 29863 67327 22137 102187 24713 15868 50201 52191 29821 15172 57656 122334 52222 124217 14578 8201 16376 17185 10049 7343 4894 11328 16568 3669 31510 4966 211216 10303 10236 3337 8662 12069 11810 12363 6981 3405 2972 8134 20993 19380 50515 5815 25042 7311 4317 4634 14242 5304 19301 3434 3692 5630 6920 3447 13086 6025 7617 5372 3197 61675 3654 5978 33372 1115 3769 53119 12527 alpha-ketoisovalerate 1153774 1204715 629290 1195740 867744 4198727 2836294 6366121 2704906 577869 1508078 1214006 1049350 2203838 3663753 1491858 1282978 668376 1083878 5086027 1260085 1808345 4492052 552820 2217919 9170036 910259 3498548 2163137 1715176 11473498 1117044 3874630 2132590 426450 3195282 467065 1088253 2747649 1398027 1669853 1449356 1210513 1164038 1272885 899112 6699314 3061627 2119878 9749067 1246114 533053 2494689 960950 4215013 1476490 1440823 1511212 4590256 4374278 1429337 1127658 4175319 16691625 3717693 4874438 3210798 3455937 4135125 15455561 303660 6429406 1995212 499112 4380299 2171849 515469 2579261 1018168 1092949 8535332 1025678 6962630 976415 1755032 1430566 3335049 824788 1055562 2440866 2926150 8106487 1366511 2407542 3478484 3550406 862373 1586025 718636 1894147 1685701 3875293 2168247 770556 3260276 1550869 877784 691029 727493 1847743 901511 484346 624219 8590208 2456278 5401187 713146 326010 1674712 1811646 1146867 915955 8523174 3760923 1651615 9121552 2326475 1228482 1905923 3024977 1220845 1090453 1341130 1710417 469325 1591902 673097 3648203 981601 1129231 2563985 1807383 1350258 3156196 1651225 1870285 809600 945546 1801291 1297604 863783 645101 1381007 1149299 1567160 2060676 2294584 1111545 418442 778663 1063033 1513342 2079189 815308 714001 570982 1135666 8819292 547317 4080377 2071946 983953 3245027 1997704 AMP 7238 65606 7574 392232 44505 26879 13936 24027 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5248 12718 23827 19073 25130 60241 10527 33826 25996 10006 45532 101179 17764 31163 191817 dihydroorotate 276854 277104 125945 30543627 88627 152386 157275 66938 2800391 9462899 27868403 42094 82696 124322 817417 1580118 2944222 325729 18880442 252171 346680 416471 883451 15740 114358 824328 3998554 2350632 1134620 9652270 475447 127192 727033 424783 48318 63836 167865 71236 606393 81046 44461 1512196 630761 65774 96572 175297 3454424 138644 72674 235657 276931 233735 526889 651513 5778928 1068821 287732 857439 64473 55531 2831274 118300 35253 252532 10649526 22071 499578 847413 9930463 21370 58767 14505105 34744 65473 83497 18320 3342059 4308118 95621 38286 54301 41542 86667 174889 1534079 379936 6559578 17134 1012333 56273 38023 30785 1458253 1081889 170317 429296 967353 368225 755740 9636 100268 119669 111700 458626 433486 241909 dTMP 27204 152775 20836 45452 166344 14924 50773 130545 142144 830037 89583 167824 9517 16613 39746 10882 9846 110075 87348 402471 223768 6671 15138 737565 25418 33017 21359 7678 13732 15253 35334 16277 57730 91757 46415 144116 198745 26640 erythronate/threonate 320377814 78629263 286349362 5476261 7002379 106394458 504071763 156815168 4109034 140802505 524307768 10206605 287045861 20099337 142382093 44274157 160359447 112011948 161880604 292725727 4473529 92908116 3738251 267180316 10256316 7085017 212140873 589983868 194640079 123816683 194776287 182174156 120971396 8613684 216161730 3285929 111528138 206458229 7031793 79864361 192093500 8297543 286643816 161870747 14338698 3002405 351495901 386067469 11856024 255538883 2888662 209752403 217069302 500206212 307049416 216381014 17270582 299473150 12513808 23301823 8149474 273858149 7980741 344308562 268193798 144078575 17984017 209594623 132819975 43046758 760315412 267637330 275168723 320649059 12201598 229867898 10300273 337543286 8783184 128693918 8557119 268624227 257662027 156985660 198826653 12299951 118624777 93958084 13027218 84747088 65199263 187596198 8547208 9469170 143640922 48662510 380778741 219629792 370270074 7240070 165298618 7667276 104792535 28669378 114999986 122173972 141045399 72075818 3461333 449154847 6331294 187163833 223898451 424294023 233267751 153454260 14431138 180780091 17809401 211273140 39808532 585975469 353771659 31664397 453908390 696947497 110785307 33421901 169463364 80927738 6764052 161141233 245685249 3885246 10325961 696742273 101610956 89181845 342783626 16088782 101876241 337736060 15786783 170083741 258562603 137201501 3863075 238436399 14031248 246371338 1870293 153596150 5504805 130059964 116343442 172201103 27782487 13719075 87466419 106145116 113352205 49687644 203639113 6441415 485189002 6958798 202914196 289865320 5444932 215182093 155481675 6320483 223158742 231404958 17389607 206375220 348207458 165913907 60476526 22338380 41803368 459433997 199621302 102321416 15972575 137916517 207895098 4874469 166503844 287883603 273891305 9030081 erythrose-4-phosphate 28562 21153 11467 38776 39999 28174 14292 26576 19681 56673 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97060470 599395973 943137250 113503937 521820782 1244704506 772606912 436708146 284500166 156970832 495014322 224807054 3322751 104346933 654567089 4465005 58787623 85262263 364132827 770797419 5980355 564900326 772349867 1210900576 578353595 368540631 41742422 102051794 11114431 514474504 171844037 198105655 466703680 5079017 4836304 15786357 2046303 79206019 78837243 348195009 627730626 11428848 409310525 7002084 197966605 1675909 698786593 9497487 18780918 803194343 707439785 357523438 332265238 459074596 43648210 298148419 783044181 31032090 611435621 108610134 125943239 606659979 436286479 4450629 628617264 459758510 628561104 25525352 1595988 33716552 446788429 32284151 518855339 466603301 5221359 412749703 2890226 279378270 4767311 679238082 590864203 19470705 44615619 401938004 899531311 720844182 1073412828 9556049 7784679 348223728 213755630 747418195 507334746 593360870 9421818 22687286 11451417 1097611 44948654 1253023894 780772771 795951954 21014218 64113283 16550890 461023127 472417116 472530178 12258376 6978318 76050270 28962591 315267753 8234019 66935738 5577578 3591212 2097065 78851118 98383425 1481498 210949867 273999028 117100696 413570334 198347562 185647410 511197896 275446137 4323035 555223869 80406781 73440184 155519774 26230866 106222304 896582014 660972930 665782503 145771972 23703735 isovalerate/valerate/methylbutyrate 384644 79526251 481470 56261130 43754926 399347 12399696 943386 97763523 94081738 33095536 27999588 44415002 1506279 688870 23357161 95197748 1512964 69456282 6639987 119004911 112029690 36093905 884451 551615 213691 150952506 906707 223246956 2147422 515682227 4445100 1339503 258278576 2322521 764478 99516325 150919381 7719183 14626626 172247001 1244793 167158296 2172639 1679103 7429873 4867021 4230878 72395120 2206724 81777465 53824033 116254065 1072745 109609318 1276386 23640828 1684626 43719356 75729076 34278710 43364893 1048386 7537957 885116 52444881 105251275 720637 66101779 2184550 222902450 3315541 140987882 1351238 50105631 986057 1502111 63464493 1159697 3841698 83853079 6831254 134706208 6264840 81397034 81911866 655631 6865785 6898272 100275535 49511240 219992919 1333015 125870720 1159573 80040734 1069458 702471 665780 139121571 285986614 17411210 122090617 783328 414815 1321184 1040512 112359360 4286167 147661284 8915444 72082554 1318514 379611 53138386 21904169 2301035 988947 1353212 1853997 72956065 180428043 634720 1231709 130977860 59776204 351705 418789 16895464 45560795 14070717 21865318 83607465 17707780 1676508 281232 112913203 392533 67205787 44208324 219194322 16600147 86066128 855900 383623 542987 52731800 60556711 699833 569070 487933 12250718 13490646 117515895 50160840 113045203 24330024 12379259 167392787 1483594 553163 132556726 812673 41789937 44962264 8481928 2421553 1002602 391855 136869506 1151226 35954850 2736058 720023 101378904 3741712 399875 49067819 404839 214411 13050296 54767497 lactate 3375347 103939 2224160 165500 84699 1380178 977563 2136541 88604 1763854 1158145 106964 218980 82472 2375899 143820 1092875 651773 6618064 236030 63625 950974 66195 396526 79981 105950 4672136 2350486 923863 1674361 3033518 4902854 8383729 250267 1160066 121028 1899750 2196285 90362 185480 587268 84374 294065 558194 124308 693814 1379790 1793481 172539 1003419 74118 2924444 228222 1869686 2440225 548932 121274 2305805 255014 402798 72332 467184 87414 514610 191440 294702 121635 153306 136516 113033 652612 359978 1791495 311201 100718 3691464 75387 1173312 203982 1332748 169452 411058 178584 2565528 416370 105618 2573056 219997 171112 669433 360711 404325 102077 113363 970854 2991922 274547 1281687 362936 66583 1394415 85848 1260360 75933 1405707 484175 1061082 89408 56791 129427 57108 2329943 447211 1665521 567703 865123 63374 234059 51354 1088922 70750 1609567 1869525 59317 119078 3245808 1400998 630275 931188 129743 81455 723559 7106604 47208 68447 2814002 3202836 794613 284931 69009 166800 149616 120775 2118336 897879 5106058 76256 6887879 92129 1048222 61899 2863247 77193 378864 708911 1812551 128734 141383 1586723 1215366 656152 179100 107414 91523 98111 60151 241329 444893 55453 1764221 511962 111018 460422 217630 80094 997089 379066 221567 357844 93190 721045 349467 495777 2330720 89668 1565591 945613 65292 2757917 3628216 1192194 67094 lithocholate 307 3600 738834 1967840 6159935 2729 1408272 349879 3449819 1497200 369423 1804 1434914 3147970 1537709 2597120 1878587 2185615 1386089 2510282 871306 5159561 2597269 827306 5028005 1331346 1437758 840 290978 78 524043 3297840 69 801842 2317373 811 444 1519008 468688 954 1526296 1062005 1202 54414 4463 3369016 2902281 1181270 659974 2047129 2618122 2037011 1792555 1357340 989671 2294 114895 3669405 1242930 202 288713 409 1329898 1289509 263279 808 2893587 848915 516747 931895 1192135 788019 373 2763383 2924326 1530067 1226769 1562804 1651 1829149 1720018 124 1910441 malate 500686 1195503 822186 1199520 2276444 1169606 2357145 254321 747436 912591 2380494 2452443 455024 993049 460277 1139909 322013 428039 737987 1152074 566584 1198348 245266 1660151 256379 919962 447393 300923 803310 851761 638487 971151 1242456 998314 1948903 1372218 491067 808729 1400422 214739 2356117 1902888 1402202 565235 433644 1743300 1065737 661871 1546971 1008962 1257371 2103017 788500 1243553 1323561 974686 2990898 1850643 2041996 1256194 1083415 684724 1403162 3089379 367747 606302 1449930 1482058 254121 227047 791186 1777134 1883630 1419809 449677 2887142 163607 5626029 1192030 1818756 2991604 693227 919530 1161356 2076032 293458 2495403 461949 965783 3083698 3503703 2966169 2196644 2606083 1921146 1871836 1024904 1367865 314164 150145 368882 408088 1619547 1284271 313008 777575 686054 1195383 384713 576967 446228 93338 637020 941041 964091 1112027 2010095 465590 732940 153594 2507605 3969282 783897 752455 2752521 681833 1022935 847451 1329422 875350 1104751 1543050 368836 330882 1275953 1018233 1040596 974118 843307 625804 1574931 1195169 791072 2115598 2270458 1861385 622586 1809008 2048792 1739744 1118355 888044 2126940 331180 547959 693811 972618 1523090 1387570 1251817 338712 882049 355109 1180389 763747 389345 827517 774936 2246202 672800 433073 1311051 374628 253676 603539 750694 2270282 1472673 483345 2208020 1901028 1089734 700685 734857 853584 173651 383058 416272 456804 399608 518575 164567 malonate 7322 94555 5492 20825 15213 5266 29360 6714 8870 7986 8991 11591 39228 51314 7896 267059 11103 8230 8532 20123 4342 7244 8282 13458 13363 10616 4609 48368 7435 8092 24951 8355 6815 10274 7859 5757 6716 11399 6103 8972 7465 4826 6643 5230 16772 11622 6186 12008 7644 12363 5491 9554 12637 14373 8490 9579 13415 7217 5721 20142 11915 9393 8591 11381 48896 5567 25067 22724 13099 16443 10782 15547 5008 54259 4961 5481 3874 6162 9830 6973 7245 12007 138396 8488 21666 47244 6204 51590 92312 9126 133522 11755 7622 35160 6935 11187 6861 4835 4199 6922 5673 4575 5158 7155 3910 5241 6487 8408 7739 36781 7276 4963 7600 5786 8699 8064 86587 5893 10079 31293 7441 3100 4796 4541 5466 1720 5901 11212 8517 107148 7704 7189 7657 56969 45930 6188 11060 10492 24930 8178 57686 27847 6872 18750 6643 4975 4756 9498 7605 57045 8059 4473 24980 5334 4010 5136 11155 13099 9653 6641 6281 82863 20494 33506 43718 11673 35593 9758 5741 5720 5515 26631 4081 41653 133263 9487 4074 4011 99 122241 7803 32401 3119 7955 39932 50648 1492 3641 2574 11585 28253 5723 mesaconate 1211532 123232 1304551 132540 81216 581421 1837737 236422 51774 471668 1582465 71239 633534 36351 559947 112182 203501 115397 977674 987177 42803 347456 42203 832965 61916 77924 868647 1407823 428359 325183 1537471 1066729 519423 86076 1120452 53268 874329 721684 20423 536205 744204 42392 661388 119098 25063 41112 1170998 1363134 31005 500784 45385 242095 218447 1592473 624787 436972 101569 390054 245786 695061 50545 87410 38289 112019 770551 165624 94767 307388 1157324 54070 508580 1163788 670290 1480351 67718 538684 48661 442224 23368 454779 51252 1418108 1957076 886083 1071471 59517 312517 1629467 69524 304663 2258435 1564416 45733 44766 937056 3284385 1156307 782315 610207 36869 807606 62194 1140752 101758 963075 837512 332401 84349 16027 623268 35085 1925709 306930 2007940 626318 320460 49824 205407 24882 1723570 58711 424140 261670 39925 865024 268876 120657 710375 759816 54173 29624 541774 1062309 35147 54386 817081 622929 603906 906395 63933 923933 171698 116549 894729 756269 429564 47716 877663 45945 344103 22000 1648131 53259 554823 505359 565675 78943 98087 323350 139273 272842 13738 190878 80112 222600 70883 934905 1612736 29877 741348 1418008 57693 995775 1242986 46468 773158 799168 726056 287814 15661 605098 1370651 31707 627620 49134 256710 760466 62416 313440 1363389 533757 66531 methylmalonate 11966154 6303938 5958918 11704837 5433716 8531681 6441541 1226224 3682042 3933225 6074734 5470132 1850793 5644669 2368500 1093064 3301010 4042220 15441753 1120269 2223679 2500860 1028793 4541558 6291509 908839 2512170 5143700 23060380 869003 2272266 6324599 7655123 13401690 2152238 8938623 4534678 7758546 2755629 879374 8498880 12859245 502963 43738489 12777306 1367488 21116342 2673820 21874719 5679139 49000457 72998320 3358646 4693717 4097502 4984989 1700834 32400794 611132 4035348 2493651 2091030 6951697 4430656 5684337 876723 3698066 6268907 3028684 39946835 9119209 6950914 2268216 N-acetylcarnosine 40061 24805 78715 113331 77789 49384 99100 60319 58902 370366 58502 60585 68322 58855 39023 61234 105421 47295 64697 62657 69952 35847 578463 163537 345500 89440 192896 342204 78357 138398 145202 103273 61762 191879 64561 136088 119415 70449 250914 37383 127039 73495 105990 122955 79981 119062 110035 155147 98321 155973 119357 98169 181823 132626 60924 92049 183209 102528 179766 132337 474046 71760 173354 141727 134272 131084 209419 91546 426098 97806 102006 156467 N-acetylglutamate 1092567 370827 1438668 385643 657053 934254 1244968 1266745 602858 1122720 3679557 743728 604161 237474 387990 665388 893154 166223 618308 767372 528036 240922 388684 487982 887389 967091 608147 1162299 239301 192690 1064330 531855 658118 946101 1277360 546435 586129 738488 795807 582444 716645 1035520 2252609 225920 491568 444394 1495521 2159999 635453 342126 984417 386190 291231 2234334 399925 189601 1121151 312068 761472 3204446 1226959 105691 832539 337117 21267 339519 273125 993081 1067024 138008 472959 840244 1267556 1092343 1013887 440562 468803 1558426 129751 920626 657971 1240061 1836818 618048 783989 677360 393654 1476636 548996 351245 1890068 681246 457264 295622 356716 1551190 724443 467761 377015 409104 372866 1066724 352649 1015856 555325 393012 536058 796095 192886 587431 263732 2650227 1142066 1695821 499542 297268 658573 1059322 474796 617278 368359 282241 550142 379472 1901 459235 331877 350868 805665 680364 647599 459354 828372 210343 568033 1225504 843788 694125 716182 498715 331995 523370 814031 509768 615085 266116 188949 453438 300638 1065821 128360 932503 384169 321425 699444 606582 399813 2498 668925 838436 1003643 149724 1014427 843775 1158105 860587 893559 2197643 399322 478631 1135233 486731 726119 1014425 332146 817534 858413 528619 442524 299756 501609 676023 117 523025 493757 536236 706550 484749 1672721 1026324 173738 488982 NAD 104794 20653 95052 105287 11770 61473 25984 64935 128440 209658 50544 425951 nicotinate 2256377 15330714 4498549 8572169 16043490 2257436 3353318 2771444 14281990 4497805 16101162 25115454 14829471 18743272 9375549 24890982 5442987 13187131 8300922 6821412 9502518 5341602 11548993 20060796 12185909 6801629 520624 8294420 3779939 497731 5112424 23722479 22173510 10827492 13478481 8063639 13124147 39049879 15088497 9390640 43682985 10852678 14393237 24213445 11850321 20648433 12529600 12260026 15645198 18028784 8294640 14062670 20685611 12146648 33660843 33579049 11402393 19525274 18833714 20075479 7588928 16233031 8404875 4277345 19240697 21844277 26068689 10915047 6981188 3079435 28048416 32948114 5766262 10950327 30941243 4033650 53437424 2799100 3760137 19226060 3156541 14988233 2339563 10600336 29616546 4802358 17051739 22436651 17277059 40867960 23080668 9338305 13205417 14208422 23341660 19186884 14354805 22451091 9387976 7354541 14288260 14668590 19214002 10507493 11559894 3211008 13687318 7189510 5265661 5653814 2692324 4478279 2732368 4377382 4936928 24663727 9203886 14484428 9797006 28643529 30087638 2610089 13580463 25172111 12931268 20969726 6939572 30667964 9169866 33080721 9381243 2407652 3023744 18981937 3827157 6839801 7180390 13777561 7177330 14528227 11366600 22752108 7723273 9176816 5633497 14214039 1378610 17224248 12954022 8189616 3615132 14146818 828337 5482316 8436377 21418746 43290000 4688260 3932322 2615040 45982254 11974888 7404876 24382235 7057686 7792970 6440455 28864397 12763904 9084666 17591370 16454459 1885110 18971911 11212407 23453086 5056900 2660931 23047148 7659782 17137996 8222338 8124748 19108133 3790406 3775687 12103770 10569947 1471675 14791556 25994852 orotate 138244 120604 171182 35131 782 431360 28761 104701 24040 90885 117640 35534 23211 19290 134655 57574 185566 119112 130411 35365 29680 66472 18564 195012 24092 71449 299410 36129 315271 21890 83614 550186 80352 28740 94918 247945 197625 224948 416044 1569 201548 397603 97652 63570 25974 188881 165268 222419 208943 153046 377126 315960 369176 177386 217992 31819 23267 77614 37575 10582 15732 72808 10878 166857 1485 101435 57372 200924 69308 9883 249225 273364 104736 178190 26046 49560 20022 88553 16063 130991 334439 40973 33000 344957 243991 13314 138451 50723 23123 140726 35214 89345 7519 55878 195239 19393 171901 256836 52520 42924 166796 40397 114107 7506 9250 32696 145442 97921 11967 12172 15042 1809 79178 22835 92750 80553 30393 119059 16174 9993 26620 28045 12283 36322 20459 33060 324609 86271 12445 240570 77981 480811 11820 23832 494179 144105 121209 26944 61090 227527 16155 94805 511725 300919 559154 23894 349971 46318 162681 93605 133124 80884 3550 38997 86101 16257 49446 101179 89582 127835 15526 25056 7034 8475 6981 661540 127528 77322 89529 69025 20688 99170 14243 36165 36293 117081 46344 64467 187223 39634 29041 6994 51714 13255 7181 108830 36425 130567 210098 50334 13982 oxalate 1353510 2627666 727195 2233807 1273361 588865 741447 681158 934946 578648 506702 1828340 1837064 1886560 1292096 2271746 1536356 1101532 3254573 2213526 612491 930706 1758054 2813230 1488602 3399535 783120 1666097 877971 1050510 2173703 751965 468524 4725677 866973 665139 317585 892388 750452 1698482 870690 608334 695266 901566 974864 1812897 1065716 894658 2344876 2123070 1021547 958169 587737 960090 606096 1315667 2109750 790151 2624885 1960997 2128088 2801368 3213825 2997640 4076615 486793 2174944 1417053 925028 5046504 7324506 3197365 1281169 1602969 215097 1463491 215497 4750465 4828462 663490 2700669 1250537 1993836 618778 660945 1000919 1162146 731834 2863822 579171 773554 505406 1914931 2326386 1019880 811667 1040324 1907159 1049736 365746 625711 245073 1665032 1422762 837216 788921 1580604 1492992 481127 425486 258641 2344365 856114 950703 1453744 984304 1948561 1010944 1286406 1968439 746601 894722 1250578 479084 1078529 1157816 542228 806926 811155 10978177 875522 789788 863398 814626 882526 599728 596344 538548 1954548 1414142 132925 2511254 1056867 3113823 289898 334248 3750670 1378971 3149857 645487 1785908 465650 3869492 1542812 756923 337786 2866636 2071436 1515932 621029 585865 723294 6685211 9444029 12207084 11880164 2040203 6446078 2826031 1463158 1000536 1355788 937965 1495690 648040 998490 412179 487912 464306 2792431 348460 906110 1148493 718843 631126 923797 417560 692832 117570 439164 389849 1939243 pantothenate 296382 2683752 405226 429429 579201 162092 350803 207975 2237912 247755 974701 768683 3237475 1078299 590360 796575 686454 364417 6430 626340 133316 266190 175403 907168 1563714 731013 91227 96272 289334 629592 26953 62070 225294 1171378 270409 526406 43738 424288 774040 998817 367113 495111 511632 688031 788145 285736 1864697 2266952 757995 758845 1250665 436894 1064091 1595047 1546249 1015459 1388981 435680 930024 2630662 1181545 507483 811886 593904 757015 544296 547301 763021 213365 126845 346504 890069 1179263 249420 640067 1516427 105432 2664413 157644 406337 1129077 488608 1566747 146000 612491 1451342 140774 384102 981377 730126 7100889 976821 159623 162124 277128 2464304 1379031 4069454 2109329 158690 1272998 809137 240325 611445 98858 161255 491115 454693 118059 260146 90377 302877 396221 73047 700482 555026 1289309 1368028 714698 1041888 1154015 837174 73138 774594 1451558 1099803 113353 423496 1511960 617432 806899 791107 258575 124065 572258 147113 211917 67590 2796612 505971 773539 1152245 1030054 970535 445588 80861 436163 94686 278253 2532682 285136 315774 608685 85791 303204 278623 1577344 1284530 484333 371691 338193 1068761 507529 202864 1465413 191545 709181 428047 1048776 602790 1014859 683180 792833 190024 198587 1821340 1411872 898528 155615 1084142 833374 1684684 602698 734248 701930 105936 791818 579532 327673 189700 847166 916177 pentose monophosphate 47049 98500 82688 15298 52914 105004 685661 227974 160824 86219 141173 365375 943944 383179 37970 607025 5565 15643 522674 767060 255144 202884 26383 53516 7140 612685 115271 235952 524665 530695 160330 58987 611394 44738 43854 28026 450489 47063 15511 44921 127750 1195361 305541 118333 phenylacetate 4369719 2189161 1313542 483049 4203265 2759081 2392108 932858 1437760 1759999 3375827 2858116 4705382 4608888 1025693 6491847 10043120 14522175 7051756 3700321 4363222 6191553 6443518 1421935 2211975 4641955 4430898 740018 2450350 3496816 1660235 479561 1638334 3847799 3044837 7810221 4798168 2120085 1904402 2513728 5652765 3390830 2227489 1822816 1939112 9194857 5402450 2947160 298194 5838140 11952706 875628 4854764 3976780 298725 5602742 241643 1897319 1944524 2566658 5713059 5403969 2134214 717711 1539252 413845 845945 3412961 289931 3170491 876174 1081323 8588446 481936 2865606 1934004 1777744 919418 616044 4544890 2277202 5058110 1116944 565071 6224277 5079250 1880920 521861 315346 4661753 1607060 4011799 2171627 674264 2116786 phenyllactate 933303 73599 493506 10221 8870 335821 62444 339170 14227 408197 76781 20386 379319 22454 1697148 182265 262575 266222 530752 118012 9242 265701 4652 384084 4599 14675 100551 438258 652748 452460 1991097 332813 1039171 19417 454166 23556 1551134 1237981 38904 15401 191568 46945 136239 134294 8194 33060 274834 483709 31763 349088 19649 836172 43648 2233751 375077 720422 19553 325382 166878 1453089 32178 247569 21511 47646 79157 81287 26444 33156 115864 28926 139405 800495 1449487 755638 12849 1364199 14518 596797 111427 232977 31275 178341 27337 158690 50537 6334 366109 508059 7419 552750 69283 340510 18701 16890 1183735 1517666 38764 59021 6820 14465 157756 32794 2384322 12457 2064707 1267733 243579 17793 7692 43058 9464 1873986 333104 1792503 43811 52399 26800 51902 11004 752846 21300 1717417 70275 9311 979211 1411090 192005 278227 937767 98933 10343 814886 758840 8158 9721 983395 932423 1046107 290817 26597 344716 32278 65166 361838 1024318 886725 10728 671595 8636 671632 8410 679866 22056 547702 144131 254538 39258 69386 287919 489592 1100920 7036 12743 30237 24801 5826 82776 12472 17536 705008 283584 6544 266249 151857 8524 249870 758374 224247 136147 36627 117483 423645 437218 541539 1586 1083694 92154 12548 55532 982590 570922 4499 propionate 872928 34083834 1146218 9213121 7152592 2901951 1204847 12144403 944450 4468118 19398068 48605573 20704202 919265 20170896 4914685 7941981 7476584 2164097 5425173 2267186 11158994 10276733 6655496 1070710 472293 21827374 22593624 3263247 21355276 3579253 61385021 6356528 1065685 33373918 7943887 4695711 15817034 12529423 6249292 20486577 12478644 2135778 15078232 689154 7113846 630290 1557936 13907936 752932 12266085 17322765 9334090 3198508 7949698 5226697 918240 19769230 6273693 4353780 24364722 6056275 24122085 8021728 3926927 20044157 3856979 26959810 2387983 12981096 8170585 10824945 4052780 18549103 3594304 10486053 13223060 5743469 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61621 13826 75468 4810 11602 9028 12478 11485 40421 9879 45820 24096 31712 113777 23364 28227 141 72195 9992 14207 8100 27865 48678 10845 8968 50081 41155 7036 9179 10050 17798 60233 12118 18500 47223 13602 10784 11898 23848 11601 30906 17735 48400 8799 49172 13542 11981 11395 36204 14195 9669 10550 13114 24694 10301 97911 12031 70674 11765 7986 49746 12853 10746 34406 10916 7599 30115 19756 9427 11285 17323 47594 12064 30732 2284 15409 40478 12590 11520 73859 4843 12792 12572 29407 succinate 7747392 416974 6187061 507883 606001 2954634 584209 1318886 931259 694311 2633085 1026195 12937485 8115551 5412954 8934256 11218195 5640307 1895398 4136674 143715 2585820 361883 6873621 929170 500055 1015192 641641 2354797 3100218 1802344 1256559 1372063 538672 3569972 294850 1971424 3956388 518227 110002 4044118 616126 3086866 4562799 8130838 679045 4573302 8930218 406910 5638864 283525 8783049 16451822 8509194 10410403 4674905 892827 9992334 720949 4692742 709139 4587309 760187 4829288 115812 8618214 481547 5324787 162819 343482 1913710 1072052 2892252 770754 596273 2525608 381229 1289873 160794 3305017 532245 10162926 1611486 4211190 9358467 1442581 3926169 7313280 1639481 4368263 242415 6987022 364728 937098 5696628 4838197 8678561 1216645 4424085 230340 5903135 506434 5532667 712176 3160610 2790703 3868893 401576 343972 237736 238056 672844 2755738 1275357 6733045 5601921 1185124 9180035 305207 357290 552552 9967147 3593057 666327 93501 7800751 5478829 10612481 12001425 11172177 622242 5601453 2949097 243418 418315 1236564 1162708 1152813 2582291 341774 1158774 1308721 497027 1128503 7413470 5073121 348660 4662564 522639 4976425 104919 2495694 258146 8751755 4019417 4355279 726586 1343911 4243483 2726447 5859582 21525267 4119681 424784 1710633 454454 977328 1988808 308460 3033456 3022048 449183 3398574 383779 4492071 3748617 9645831 3317662 2572462 572823 4183095 473074 3926123 7377909 1078954 4602381 4495471 535300 2662175 4916747 7436481 810307 succinyladenosine 50607 268857 389812 423528 673052 35655 73932 33900 125759 153523 184662 1011389 609876 449528 182332 276147 509810 168477 255544 787857 389197 548586 888488 521608 34328 92820 1548924 323511 1236635 34284 269204 819983 326019 71920 491560 1283111 3523276 200983 374906 997813 87991 1089954 2565057 1184355 3917232 258256 78471 1572490 107835 1215300 109878 709557 90271 161258 13843 38870 46730 43888 2155001 1268393 3142836 32654 340235 875278 3560 3239298 858802 1381282 23463 443593 620424 8806 89676 72299 225826 23134 38200 16233 774099 492996 14337 131076 1454364 243445 121542 2978 27813 26128 9815 187790 87861 2360011 sucrose/lactose/trehalose 3756499 4977686 4474912 6824599 85933436 1614477 10538327 3016367 11510111 3365500 4745270 19542220 13550378 31480253 7383216 149439397 58288305 4487598 50110331 7163493 35012058 5785967 25589296 9921040 14408319 38493469 21956316 34155397 3352455 129900614 11447512 80885681 40996076 6246021 2578048 12255984 4225321 2949516 7096362 48720733 1600445 7123289 18341614 44698737 19165788 18276872 5943333 3035829 10396098 46624794 21524417 11734787 25090540 3093728 44294914 17985296 20959712 54463052 7083573 10059089 16352693 164801691 10474801 34213140 15099987 67510483 26290053 9600981 9914483 15687456 1240567 3836849 201309110 10668732 21927779 214168076 14265826 79180554 9747076 2794502 7009952 1151182 17404346 2467912 5612912 10506696 3469294 11364839 11343472 16436569 9198105 1339393 15323289 6764238 1470054 3386447 5954592 98457928 2476103 13261825 4766903 6134699 9048334 6094448 4704765 4484198 31483731 5633280 8416864 17032854 50148953 2936746 7333157 590317 14426283 55295059 9515434 17203819 10872684 12372934 19985034 6695519 1861098 41917548 10427798 2961290 28164447 6800995 17206355 54560994 9462112 44044083 10334731 10960964 9280530 3292288 6357949 6028558 5465052 30938632 17530633 8190210 4075004 6614149 27982762 4237402 40769670 5639389 86257329 1802129 15387124 1536220 11709999 5739441 7591874 12279511 22003508 21039053 9286754 7530533 8590411 22183016 3392987 151231777 6227088 58109315 100184906 18297264 8007231 9136248 9133511 21940737 5742234 10734079 38113680 14323523 5700472 4288685 3781101 8603788 13148925 52159024 4102628 3377771 53890680 105346207 35039477 8373583 77095867 4462478 50340610 41880740 tartarate 81058 32922 86799 64639 58579 146455 141004 51822 10375 38532 182841 47872 54789 381753 94778 452041 48231 162768 322112 285404 81038 106893 81432 305657 141699 67891 355300 249980 541466 34270 26084 44401 56907 30659 3629 70368 85411 9184 590387 102498 125211 29554 28533 585959 71497 123108 353656 22987 46892 155781 420776 57966 189534 57517 65812 415043 103102 244629 163508 214882 68782 183627 380620 389855 1001654 61771 29168 7481 28638 14913 39620 120259 98639 12879 50963 306046 325416 197346 189952 133268 436561 114445 62610 64061 77948 128120 90780 88066 147418 37493 28188 20023 264480 104941 102519 396427 334764 199429 88298 8116 375015 203116 1059031 294640 121949 202616 76240 60438 64636 287035 48631 72690 63386 190496 168449 168286 63767 49218 220226 9885 441621 978951 29359 126390 39185 55037 159809 111137 36554 262789 91163 13664 110338 329852 198323 476044 183100 1402177 125191 25652 247061 94766 466386 79403 163067 155581 159402 75158 69873 64586 1224079 60014 123773 271109 1274065 721203 88685 202247 102792 68086 105452 51977 78999 396572 130648 157727 34045 68647 117738 133330 174014 16249359 116598 24366 87682 135406 taurocholate 63370 459380 112907 118766 59306 959657 1554330 298792 10672032 23477896 21431718 26095168 113636 154002 1256606 297671 25645 1232566 425628 23906567 6214290 449584 2504107 559511 643420 1187220 151489 12179853 843532 5453065 211517 904817 28939 160526 3111060 16039456 18598366 588934 72329587 907479 16561568 4690474 39462056 100431215 3723984 59996883 293568 332842 194550 57988215 306183 8207680 1669391 614138 322338 45941 54360 161436 202439 238647 4849612 256469 31104348 128231 1916167 7513958 542357 56638 653320 1081481 4940288 10137439 67873219 37653 110460 225552 50311111 28996 7998876 67691736 37583717 289183 151071 470732 100823 70388752 11411936 2171312 76060696 115772 92706 2017508 411132 1354330 7626105 387673 4009058 1442392 565028 3851373 252055 4234884 328965 10432631 120707804 59854469 59049883 351493 879278 1026242 3410236 48925148 20350333 386662 1764688 489789 245119 85346 1570792 548019 85031 3695460 1211995 895674 4630141 162233 80062411 199542 130301 89926 taurodeoxycholate/taurochenodeoxycholate 116110 60165 23291 56824 76084 1868947 3724073 131837 12964792 15817829 90315 28145955 11923128 432948 10577 227684 1092937 488135 236279 138578 59958 3318686 17937607 45371 137734 36484 48106 15670 57240 22843 80207 15187657 417900 607646 1045651 1025306 65402 2869660 13897970 39751 20488112 95735 301857 5840457 888330 1739186 17283 4633349 1642341 74670214 154528 39591882 4955205 747887 474239 52060 141240 10027 131510 133617 489753 48887 10430651 312115 2636846 407879 52653 45432 556104 125521 1244425 835837 68836721 28207 23319 30270540 1696005 39227185 70655 11966173 59101 11720864 12709903 316785 24791891 33424 21136 14127 87414 110778 332664 224981 19433 788549 110316 493251 94728 215902 4885208 40961 398381 82515 41793 13678403 96432 106955805 31870034 83735858 7548 26045 123792 1728916 1572601 11317896 6783373 413681 603958 34836 1158041 61464 4522 5302 19965 113290 61668 443634 819136 968317 528523 21711234 79462 150585 tetrahydro-1-methyl-beta-carboline-3-carboxylate 239413 792566 334413 312586 231702 2387287 250511 1019189 76530 880536 615900 1741114 1751624 77659 159183 46179 104918 1035748 436838 799520 200159 2567076 1628641 814771 375606 851830 946234 678501 1985724 1380293 92934 2193958 177129 292217 149858 1943975 1944132 1075319 553434 20051 715020 66702 1782832 542620 295472 1100062 610988 687738 3087047 721894 465014 119791 3221617 2583910 64238 549911 1412074 2563615 89346 430982 1411977 1016819 229251 750069 243402 1032941 965179 1075033 546717 855360 1093077 2145225 909549 48860 765370 987376 709718 450465 996652 578096 1212052 123130 2293566 97124 519484 threitol 21738 40992 48017 14 16560 48530 11326 15392 43368 47598 97 11816 2031 7814 13199 41097 19774 307 2735 1674 24099 12 20 15815 37281 26705 8119 18602 3307 5637 19 8126 17339 38854 13629 25158 50 666 1868 40699 122 13891 6450 14679 36144 24565 413 2073 116 797 18 23662 116865 3792 2570 65142 6614 608 92470 174 16102 70330 55 16867 932 12905 179 17785 509 66300 22425 25969 33316 72 13918 24646 63 15358 2001 17973 3601 787 15234 1609 33669 5400 27662 28089 25 10112 61 11698 9874 6798 8089 133286 14832 23225 170197 37427 894 22726 483 14708 674 54102 28102 98 84858 25996 5793 118956 62 318 12 1668 16615 10 22055 17075 13439 1357 595 25098 1228 161 9663 51492 39079 319 42204 2181 55743 49 14161 8259 392 29930 8158 11805 1776 15 294 52556 16447 32 4642 14666 3278 15300 50500 3273 24470 29552 51 10405 1544 4923 68740 17732 26764 4634 25085 25250 11 9410 84172 12304 13 thymine 64317 106824 58163 41565 41966 29734 72637 30008 98233 30833 80811 113863 674357 64216 81939 53677 91509 103543 53577 177891 100986 98239 86225 270013 44878 77855 78984 29678 54630 71949 67430 54558 98019 351936 87875 481831 84532 283166 218933 39329 186850 151303 112275 187505 48964 97208 231780 103775 205883 243172 91420 334355 183230 168921 330186 284155 73236 190254 72371 485848 48650 120912 45203 132334 303543 113071 74538 302725 31216 16150 42800 152414 100811 113955 71694 121568 16717 195901 127316 127406 371287 83029 131575 163416 157855 42081 188103 151612 63312 173868 333916 152825 25581 28380 104273 140322 186959 406621 141508 62160 72889 167056 142837 51262 102439 155811 148125 43723 122149 145754 99815 113622 164089 71921 137832 160885 93340 269089 68420 193742 54287 107726 75968 146158 55683 149665 64175 78969 205085 40730 64282 101614 68206 58124 53998 121491 101773 116927 367950 39037 59400 223143 99908 105640 134086 130050 37005 109688 328 519118 105820 81460 36506 107211 72253 77385 59497 52085 214742 97059 12690 159389 112967 5402 136512 25931 38451 78266 109510 268201 153316 89132 146013 108660 24988 115873 144596 64634 37140 269635 52545 97230 102447 121989 56568 53314 129593 103740 154163 51133 556909 45992 UDP-galactose/UDP-glucose 135525 365238 303686 22066 62907 42178 153265 29475 146290 157281 9064 UMP 35187 66239 47618 8156 14454 610867 11629 415086 438012 48651 83054 16576 10190 22070 275292 20614 432610 21590 25588 15715 145361 177666 16931 49817 6344 uracil 233640 483667 150908 234247 396218 100561 444225 100556 540389 65180 477443 768127 1641012 357194 180948 613326 359245 213675 24810 670408 317606 376762 349735 493843 586667 903947 221172 181863 167866 215177 243373 176676 752482 867493 1028201 864746 201779 1088950 643181 133798 478284 498437 698736 369853 376349 605047 763107 492636 738378 743387 362319 610358 402946 823263 462080 587073 455840 326565 313801 1414007 282023 300086 292546 481821 326236 273437 338559 625752 284656 97653 205786 1065387 820866 642220 409494 1208585 163779 1365275 273253 626562 973468 563249 881433 445408 759177 339526 777900 742694 533867 804579 1125101 1082320 314318 370114 695639 1309940 495880 685941 927015 228218 162806 700449 239705 447249 331634 309027 373567 470016 293502 504791 219744 501074 198783 287039 256372 323707 784647 332778 562233 484361 735343 959157 348586 662549 791859 525137 264174 372023 865441 344354 895455 326658 386622 172418 377798 496124 381704 271834 1236508 388796 537888 855005 1099061 623216 821286 358935 286749 341363 394083 1693239 402599 519726 335884 308990 281841 292020 431761 671681 481304 287842 137381 1232841 491967 188154 1205048 128175 250426 413367 344371 553461 547620 295715 639505 677917 269098 327035 621354 153692 148057 1240279 218677 685390 275703 405543 226178 287334 151917 499294 215500 112095 815439 485668 urate 7130 131367 9659 282031 224425 210014 38323 2476404 519658 4257017 392910 343603 23680 10290 2643427 105618 5291989 286878 3843590 35931 328928 586087 174576 2070416 175222 149907 6811997 119552 4438057 6915248 5301829 2711380 1889275 430723 6557371 311667 870269 966106 305394 15345 243261 277101 13410 380751 96791 142757 14979 11912 118758 464281 491441 2630407 5146271 185542 3867398 531281 173007 3753104 108658 18994 478424 2228448 216369 2767458 8479 2586356 71798 117042 150528 8602 2831375 1111881 2731052 45796 375325 3461361 250746 3290732 134955 624132 781400 13070 32343 98442 4661053 211573 1726023 45495 214451 3125757 61175 3633725 226005 38684 1526575 43537 29174 26090 10698 386018 2235394 1305186 1704999 242782 65250 347890 3400575 955069 100658 18664 218147 49711 2694615 5602181 3735358 1631373 220537 1832751 274800 3666 50213 17815 35081 263162 6226 106234 49796 73671 285962 78697 1262399 2543934 170650 173971 4822646 3616943 3655873 1592453 744140 27814 539280 1687103 957886 276182 819692 84756 1089857 32956 48071 66905 5322344 146025 11359 219337 171878 71807 215170 2584548 2501736 3913002 100645 26975 399281 504696 303162 485288 29353 147463 1996202 1437275 268071 2780688 28510 28645 3284712 9125 8255 33473 346506 20756 17785 61891 140574 225155 6440177 160469 433205 307349 985713 790119 300099 uridine 35043546 6858172 41101648 21544334 41592869 15999129 6705232 48092858 87357583 40208001 44456641 36782799 32305849 28067455 29015862 26160325 86325701 32923741 2539238 3660843 21933435 8551294 61028182 13414142 122355960 118047935 4865372 32137474 4751296 19166581 81784994 27906856 11522870 62468860 5681091 20096031 6356615 67635669 9618231 27077511 5162358 7261476 49451052 23091527 29262475 63796999 22846357 61923791 22000860 11209836 22375567 20968858 106537684 14436936 52276261 51856453 28729126 19474342 7084713 11936495 33975959 78450053 38307597 69636941 8814008 54742386 14783079 1392204 45413091 24415286 21270958 5872924 3962977 7286640 3892131 3418717 569376 4146289 9771264 1861070 21257793 4511462 16173850 3834325 29508173 89221877 74952972 44870500 58260260 5487700 13577882 12739596 62745103 45710171 27651600 140644551 26028310 2551550 88393542 12683262 42612543 23747163 5569762 49683387 15172740 1694521 74310430 13592989 15675951 6634379 10990427 913289 61298265 23783633 29250362 22664700 111393785 93887935 60097133 3267422 6712030 18159686 40655252 57820542 35461959 29876885 10247224 28288644 11044887 60367193 54193652 18709835 18536249 2115254 5834420 340734 16289688 13959364 5711414 23350615 7905081 3838313 90541557 3179235 44042223 53908481 32459706 129079966 36021963 6727515 17806242 924897 14976411 34539261 26952191 28524159 14212101 18545751 75797801 39538600 44070610 73161918 84268811 26013941 245093429 54319382 33991256 72532957 36639329 6133548 16993964 15870551 5646396 43615687 32662969 76793525 73518203 48934158 21139746 36137752 42124063 49728933 99349147 82279317 4879359 14291822 43811087 91995968 43883791 55213582 24138181 129749901 xanthine 55175485 174617307 43821384 78175040 199963811 39105077 41995456 55232821 330567991 61918199 444267101 319870817 380413199 177087168 100341878 270416041 219164292 24128634 43850971 101165867 138196899 33211104 146408660 191408226 256896806 383159828 26117730 141199915 24321000 57774448 78685976 197936096 275019446 635665109 712378492 421412789 3101184 178496803 384084266 25904101 138806769 325151629 142948654 75378406 175387538 291779293 263079373 170869219 361065641 148213803 327862828 175526541 57141622 253207074 720217075 153007989 280014435 75717126 114984780 237316524 205609578 2560916 174472486 1738672 58979989 123845311 183494718 223126716 94660012 24211913 76503646 112071762 769860598 101848386 205378573 675302134 32047304 613637189 147252869 30244318 477604577 105451369 165977216 80057370 174280099 234195299 101855565 128983481 277249526 5296460 109874058 211206547 129571627 124721036 85782406 84650572 212459775 263928105 224084616 169060434 45939860 221279457 100724213 206787132 28634497 19495206 76829440 168863674 133136145 143442929 75678916 129041152 6748516 303894350 74197182 34264214 406105762 1337650811 303275553 149538614 283503598 151586967 25924471 269202755 92881728 112903264 33038530 34895372 105200076 152625941 358537460 28744112 90091217 74484376 193475953 281452210 490515157 543025571 127295578 145178024 93687979 295688661 417012058 364790895 87781752 22941605 164744216 65374574 117626385 418048060 190581640 53633535 234697959 45880170 51129710 60958196 83974407 402771674 92576129 27013757 159698351 549306869 57382993 98495912 164538299 35803294 81367619 10725101 346728050 1850301 101647931 168556452 384459336 52291918 63994577 275124264 174516305 13608780 13161590 505736610 35545740 192819615 39087145 176033771 149365816 119425207 10650623 236581740 1294770 21015358 449514080 182559821 xanthurenate 344003 1398919 617543 46813 140321 371899 4325785 628111 1045365 1772795 50883 994516 22650 428281 246688 665727 902493 1254819 260358 539652 252267 732928 1720333 213041 836331 1604179 3576037 585861 1802208 433101 755286 136040 563624 210146 283777 862276 22315 1300176 835746 1547005 664607 1915845 2779471 1617966 2226016 59465 1147524 168237 331361 411285 3610461 218554 534329 966482 190893 47279 2874539 347439 777374 43092 765072 1352095 474666 1507758 2038868 660195 662541 1373076 499909 818229 2222706 1080197 915462 81259 1693845 636217 2290697 2578359 2217328 653260 821772 376370 1536734 1278379 695401 4853188 803219 779891 874955 922909 1518760 3280851 32132 544680 476424 161675 312485 555437 632566 367986 20154 2149208 3162084 2230362 1810276 505966 427238 75427 524193 69797 1018517 203346 1160668 1398745 1154074 999479 2118342 1983940 1375634 529904 1503493 1196226 224547 370979 429307 439632 718963 1834346 948576 1227626 2268807 669006 924614 330558 1469151 2109905 87179 1658630 139733 224248 430819 447595 1050232 36502 748938 627245 370171 53343 868646 1797895 398332 1288441 434560 269480 333871 398503 1468533 260876 1159220 616136 2091372 649411 1259537 665040 648954 622303 2211372 1084499 1104988 841298 966968 328536 1370376 1019643 517669 22672 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name MZ RT Compound_ID HMDB ID thymine-d4 129.0609 1.25 QI44 Internal Standard inosine-15N4 271.0617 3.16 QI22 Internal Standard glycocholate-d4 468.3269 3.61 TF50 Internal Standard 1-methylurate 181.0367 4.41 TF1 HMDB03099 2-aminoadipate 160.0615 4.95 TF2 HMDB00510 2-aminobutyrate 102.0560 2.86 TF3 HMDB00650 2-aminoheptanoate 144.1030 2.32 TF4 NA 2-hydroxy-3-methylbutyrate 117.0557 3.27 TF5 HMDB00407 2-hydroxy-3-methylpentanoate 131.0714 3.24 TF6 HMDB00317 2-hydroxyglutarate 147.0299 6.42 TF7 HMDB59655 2-isopropylmalate 175.0612 6.59 TF8 HMDB00402 3-3-hydroxyphenylpropionate 165.0557 3.99 TF9 HMDB00375 3-4-dihydroxyphenylglycol 169.0506 1.91 TF10 HMDB00318 3-methyladipate/pimelate 159.0663 6.28 TF11 HMDB00555 3-phosphoglycerate 184.9857 8.71 TF12 HMDB00807 4-hydroxybenzaldehyde 121.0296 2.35 QI1 HMDB11718 4-hydroxyphenylpyruvate 179.0350 4.41 TF14 HMDB00707 4-nitrophenol 138.0197 3.65 TF15 HMDB01232 4-pyridoxate 182.0461 3.38 QI2 HMDB00017 acetaminophen glucuronide 326.0881 4.19 TF16 HMDB10316 adenine 134.0474 2.17 QI3 HMDB00034 adipate/methylglutarate 145.0508 6.37 QI4 HMDB00448 adonitol/arabitol 151.0612 1.64 TF19 HMDB00508 alpha-glycerophosphate 171.0064 6.86 TF20 HMDB00126 alpha-hydroxybutyrate/beta-hydroxybutyrate/hydroxyisobutyrate 103.0401 3.40 TF21 HMDB00008 alpha-keto-beta-methylvalerate/alpha-ketoisocaproate 129.0559 3.07 QI6 HMDB00491 alpha-ketoglutarate 145.0144 7.00 QI7 HMDB00208 alpha-ketoisovalerate 115.0401 3.10 TF24 HMDB00019 AMP 346.0558 7.23 TF25 HMDB00045 anhydroDglucose 161.0455 6.30 TF26 HMDB00640 aspartate 132.0304 4.88 QI8 HMDB00191 benzoate 121.0295 3.68 TF28 HMDB01870 bilirubin 583.2562 14.17 TF29 HMDB00054 butyrate 87.0452 3.46 TF30 HMDB00039 chenodeoxycholate/deoxycholate 391.2860 3.66 QI9 HMDB00626 cholate 407.2803 3.78 TF32 HMDB00619 citrate/isocitrate 191.0197 8.25 TF33 HMDB00094 CMP 322.0446 7.08 TF34 HMDB00095 CMPF 239.0925 6.59 TF35 HMDB61112 cystathionine 221.0602 4.98 TF36 HMDB00099 cytidine 242.0782 1.92 TF37 HMDB00089 dCMP 306.0497 6.97 TF38 HMDB01202 dihydroorotate 157.0255 3.76 TF39 HMDB03349 dTMP 321.0493 6.92 TF40 HMDB01227 erythronate/threonate 135.0299 3.90 TF42 HMDB00613 erythrose-4-phosphate 199.0013 6.93 TF43 HMDB01321 fructose/glucose/galactose 179.0563 2.00 QI10 HMDB00122 fumarate/maleate 115.0038 6.56 QI11 HMDB00134 gentisate 153.0193 4.19 TF46 HMDB00152 glutamate 146.0460 4.84 QI13 HMDB00148 glycerate 105.0193 3.90 QI14 HMDB00139 glycocholate 464.3018 3.61 TF49 HMDB00138 glycodeoxycholate/glycochenodeoxycholate 448.3068 3.53 TF51 HMDB00631 guanine 150.0421 2.66 TF53 HMDB00132 guanosine 282.0844 2.85 TF54 HMDB00133 hexose monophosphate 259.0224 6.98 TF55 HMDB00124 hippurate 178.0510 3.56 TF56 HMDB00714 homocystine 267.0479 4.97 TF57 HMDB00676 homovanillate 181.0506 4.01 TF58 HMDB00118 hydroquinone 109.0295 1.43 TF59 HMDB02434 hypoxanthine 135.0314 3.05 QI20 HMDB00157 indole-3-propionate 188.0717 4.06 TF61 HMDB02302 indolelactate 204.0666 4.02 TF62 HMDB00671 indoxylsulfate 212.0023 3.55 TF63 HMDB00682 inosine 267.0735 3.17 TF64 HMDB00195 inositol 179.0561 2.50 TF66 HMDB00211 isovalerate/valerate/methylbutyrate 101.0608 3.35 TF67 HMDB00718 lactate 89.0244 3.56 QI23 HMDB00190 lithocholate 375.2911 3.57 QI24 HMDB00761 malate 133.0144 6.55 QI25 HMDB00744 malonate 103.0037 6.72 QI26 HMDB00691 mesaconate 129.0195 6.40 QI27 HMDB00749 methylmalonate 117.0193 6.67 TF73 HMDB00202 N-acetylcarnosine 267.1099 3.75 TF74 HMDB12881 N-acetylglutamate 188.0567 6.23 QI28 HMDB01138 NAD 662.1024 4.74 TF76 HMDB00902 nicotinate 122.0248 3.70 TF77 HMDB01488 orotate 155.0100 4.13 QI30 HMDB00226 oxalate 88.9880 6.98 TF79 HMDB02329 pantothenate 218.1035 3.62 QI32 HMDB00210 pentose monophosphate 229.0119 6.92 TF81 HMDB01548 phenylacetate 135.0452 3.51 TF82 HMDB00209 phenyllactate 165.0559 3.38 QI33 HMDB00159 propionate 73.0295 3.58 TF84 HMDB00237 pseudouridine 243.0622 2.15 QI34 HMDB00767 quinate 191.0564 3.93 QI35 HMDB03072 quinolinate 166.0146 6.99 TF87 HMDB00232 sebacate 201.1135 6.24 QI36 HMDB00792 sorbitol 181.0718 1.87 TF89 HMDB00247 suberate 173.0821 6.34 QI37 HMDB00893 succinate 117.0194 6.50 QI38 HMDB00254 succinyladenosine 382.1004 6.81 TF92 HMDB00912 sucrose/lactose/trehalose 341.1080 2.40 TF93 HMDB00258 tartarate 149.0092 6.59 TF94 HMDB00956 taurocholate 514.2844 3.32 TF95 HMDB00036 taurodeoxycholate/taurochenodeoxycholate 498.2895 3.19 TF96 HMDB00896 tetrahydro-1-methyl-beta-carboline-3-carboxylate 229.0983 3.48 TF97 HMDB37942 threitol 121.0507 1.45 QI42 HMDB04136 thymine 125.0358 1.27 QI43 HMDB00262 UDP-galactose/UDP-glucose 565.0477 6.71 TF101 HMDB00286 UMP 323.0286 7.19 TF102 HMDB00288 uracil 111.0201 1.44 QI45 HMDB00300 urate 167.0212 4.85 QI46 HMDB00289 uridine 243.0623 1.68 TF105 HMDB00296 xanthine 151.0261 4.62 TF106 HMDB00292 xanthurenate 204.0302 7.62 TF107 HMDB00881 METABOLITES_END #END