#METABOLOMICS WORKBENCH jravilap_20220802_112810 DATATRACK_ID:3380 STUDY_ID:ST002246 ANALYSIS_ID:AN003669 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 Reversed phase CH:INSTRUMENT_NAME Shimadzu Nexera X2 CH:COLUMN_NAME Waters Acquity T3 (150 x 2.1 mm, 1.7 um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive 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_AN003669_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 15R-15-methyl PGA2 186931 136833 177146 166780 171476 186329 145149 164607 119342 149670 152225 131501 140515 134314 146686 115986 152220 135981 153628 147044 112478 142270 119519 133347 116251 148316 123271 122769 131525 145327 142953 157190 133291 126245 157324 128761 146081 126314 123980 154404 145691 117591 160307 133078 125362 114108 121650 131763 172104 146030 130043 157370 161205 124366 172298 109782 143149 162172 190589 143321 118756 156800 139535 156952 191249 139903 165114 139412 174865 162045 189817 141627 149766 150156 118256 139528 126830 156091 171429 136784 157161 177919 170537 141983 178237 206459 200735 183557 141369 141513 148343 168962 148360 161516 157963 155573 198513 124076 150460 87147 155890 122402 155167 155301 142294 145399 154354 149321 103947 169442 121289 110105 161883 150309 148680 155883 136769 161870 102628 141720 157206 169053 169938 135697 199101 149536 121623 192641 122656 178484 129616 143066 155166 126001 132762 159115 153966 177860 166141 133267 170812 171024 148253 138377 149850 148480 164270 138480 166391 120567 97241 166082 117309 193124 168895 168074 113173 167863 163907 172598 175097 201574 196027 131730 167007 121974 173836 177158 95356 138790 172034 115076 182331 150750 134101 130833 181322 175499 192423 115966 170779 140573 143391 187066 139928 209810 177713 151713 135858 210992 226744 138631 15S-15-methyl PGD2 129339 87927 122515 119334 123242 131155 100158 114996 84909 102340 101737 94204 97860 98271 104918 88930 111545 101582 115686 107790 77162 103905 79258 94186 79938 106859 86618 87454 87673 104793 104189 101692 87305 86468 94600 86291 101572 73859 90614 103383 83465 81978 109923 89999 85659 81316 43464 78040 122364 93801 91072 114434 112676 31277 125251 72248 112345 111343 148014 34224 91076 115698 100913 104702 147287 101930 130429 65119 124541 120288 137359 88396 95378 104640 83536 52567 90323 85205 127894 97398 115774 128679 116353 97889 114452 139878 142860 121007 90189 94815 45989 101658 109074 119823 101986 75811 136964 72399 95781 68687 114380 92889 92656 108217 97349 88449 105819 101751 74956 101126 80702 17141 113803 103685 102202 115015 102634 106980 69996 94644 121355 119306 123177 95896 144345 93248 71591 120356 41641 123751 99184 101301 107168 91802 88289 111531 102159 134361 110970 95257 116323 103624 104182 87768 104516 105203 121951 91790 118197 65446 71491 97726 86627 141927 121996 127462 77008 127224 118019 128539 131495 154027 125168 89467 97115 92218 123032 121133 67731 95871 122550 74709 117817 100280 102420 36438 116562 111617 140683 84044 115596 68751 96953 113393 98735 138118 110776 97156 92399 146974 165934 102771 15S-15-methyl PGE1 43284 30222 41588 39187 42149 43147 35780 39631 29721 34353 22642 32113 33545 32947 35830 29959 36812 30930 37360 34496 26048 32708 28015 30833 26936 36244 31644 29800 30520 35313 34227 36449 32453 29164 35929 28657 34159 30954 29677 37260 34406 28393 37744 30769 29851 28610 27741 31877 40673 35592 31213 39181 40188 30241 40639 26731 37095 39453 45279 35639 31360 39843 34614 38000 49543 35401 42116 34111 43505 36352 46020 35815 38295 37950 28849 32470 32105 38823 44513 35050 40208 46131 40292 35364 43450 52528 50447 45726 35550 34284 36221 39732 36217 39487 38398 34371 48122 28150 36308 22812 38117 31437 37503 37590 34950 35358 35914 33879 26066 38248 27264 20902 37321 36398 34930 37051 34020 36533 22861 35047 40072 39161 40406 32706 47914 35493 28828 45137 28686 42000 32534 34345 35996 30315 28424 36861 34858 42331 39462 30448 37663 36574 34054 32220 36299 35090 40005 31652 37796 26791 23221 38602 27772 49196 40662 40408 25062 41128 38419 42372 42958 46572 43994 30246 39158 31115 39880 42072 24123 34083 39376 26876 42269 34459 33965 29544 43066 41389 46426 28918 40303 32762 35446 43312 33998 48110 42247 36491 31014 51559 56405 35058 15S-15-methyl PGE2 341809 232324 309178 256107 309766 338244 264013 295628 228989 261557 249530 269956 260290 251316 273816 236498 281673 256061 297752 266336 195285 264173 186815 248943 243901 280335 239230 227865 230376 278313 273299 282298 241736 220145 278235 217749 262111 229372 222778 271833 247537 211551 276997 229610 235162 213388 205997 235361 278694 256520 238809 286137 299570 229412 317020 208553 276567 298367 379302 266551 243259 304719 273084 283277 363443 260358 322508 255022 327233 278754 357848 276397 292249 288621 230753 272224 246236 300210 339469 268020 306781 348088 318583 275982 325168 384697 384541 344794 273436 261495 272773 286094 269804 255317 274153 270071 343639 217258 261641 188791 283677 232582 261873 271320 261095 252908 266957 251556 192501 290344 201013 185236 296592 285157 268701 284044 270928 281954 146808 257687 308978 305277 308675 246287 372759 274092 224498 336926 215365 328590 244495 262203 273187 233005 207302 285937 272236 312316 290602 239072 283930 280221 251675 238854 262818 271562 296896 237998 281378 203511 193359 311693 247060 375351 336335 326124 203935 329646 311576 340034 336475 377796 343772 242195 302494 249972 320528 318216 188775 269593 318329 183649 311214 267107 250278 226537 322888 328300 351081 220378 302560 230599 265035 316940 250014 366291 315766 262738 257936 397173 434831 293731 15R-15-methyl PGF2a 382403 266187 355828 336668 361436 390849 305788 341509 259703 314774 319692 288704 291610 290851 318995 264328 322235 297093 330964 311179 220933 302866 231965 285423 242373 311680 267577 261117 268596 318936 319478 337061 273811 252209 335466 252577 318437 270599 259714 316714 293423 242091 324613 270972 271188 251883 242820 277478 370100 301804 267412 328264 352565 259650 363875 235648 325267 336012 420279 312042 278424 348846 292295 328944 424845 285416 352792 280029 375944 354793 416330 314857 331065 336078 256605 301076 275351 354084 386881 304003 355929 407219 375584 315167 368873 434376 446021 407249 291082 305123 303037 335269 298578 341345 320672 303262 420184 248129 301558 190422 318261 269947 309805 333300 304651 304187 308822 290788 227646 349887 228878 196859 351513 330115 310445 334815 310249 327848 187111 306717 361328 362889 357397 268889 448393 315822 255250 409395 258393 392102 286189 303404 308467 270777 264519 335708 315018 371277 351345 274081 344649 345989 304471 282462 309620 315950 347343 288768 348321 236436 208608 334959 248663 434769 363166 367422 229220 373987 271191 382423 327098 440657 388311 277702 306756 285504 364501 363700 148589 316167 373480 216839 370813 312752 271474 245524 382194 365969 387924 245049 328070 279594 302263 357217 271670 432786 348845 310375 274913 448993 475553 296745 12.13-diHOME 11059 77010 15738 163668 71368 18305 12513 20957 66052 17262 9753 48733 9855 151037 21236 74056 33153 31254 104603 15139 104116 29721 49939 21461 120953 72899 19065 82104 21836 17729 58375 20988 12731 59001 12420 65682 25323 35106 136296 15806 12204 124210 38869 56749 182131 145756 16523 12278 46821 47082 186189 21785 13267 12586 12655 19813 251221 26537 68582 11345 137955 24021 93349 19134 105092 18905 149364 22425 77699 139931 13203 40978 18649 56022 48479 15350 109341 18360 85437 50244 82581 22486 30707 61189 11882 112535 27020 15794 62113 26813 14283 15605 59201 72719 23190 20143 13180 14557 9295 238347 16241 85384 37180 94129 58835 49524 50875 111482 148335 32348 44932 10019 17203 14239 20367 18863 123260 18858 89715 37018 175860 10977 18546 198433 15820 14780 33795 9767 11359 39443 107099 19719 11513 79548 99268 15760 18544 17016 42948 53201 45959 40355 91001 76727 44135 37405 358269 43387 176748 23855 241225 11591 158417 31041 20048 13035 109932 141914 18594 14317 25218 99944 23847 71075 24742 70893 124257 18779 282529 30157 20178 101214 17252 134539 464319 53428 10964 15651 20018 101687 23936 14939 31918 13546 127316 71859 11203 69708 17793 17115 27195 97807 9.10-diHOME 5905 127952 14145 151756 27210 25063 11936 35551 42605 24898 6120 49450 9458 133875 18877 58442 18100 40805 43412 23075 93733 64972 46730 31956 48843 29004 21976 145211 28575 11011 143623 15201 24402 31671 10598 58812 28242 69334 111889 7754 11170 118302 103563 87604 111032 126551 17588 11212 18853 87002 83921 13711 7540 14260 7679 38130 143073 15534 34701 12057 79182 12784 74084 26508 68395 11514 186570 30947 202123 90378 8463 63917 16188 75596 23405 15321 321602 26548 70450 91849 35232 20792 53201 61330 10714 36548 30823 15622 41262 69116 271415 13892 66904 58388 26269 48490 9263 13273 8063 165455 16871 38963 55130 38027 129449 97952 23800 37499 73301 80018 26912 16373 8117 10697 12783 10614 97300 7698 86702 78635 186916 6334 21749 92886 13114 13606 27104 4521 11660 17736 96950 16747 6552 33794 38036 12846 17700 16748 46990 13928 89146 53744 32617 102049 99494 49236 203551 41036 77328 34251 304955 7593 204643 40866 13474 15000 60887 52459 9581 7347 15836 77166 39417 24225 23274 32086 364742 20406 209407 63380 35002 81588 22254 304504 195979 33085 7254 25374 29252 155309 14040 16398 91716 11154 119203 57670 5829 95638 12494 12199 24667 75304 13-HODE 4832 397018 18865 136033 43426 37095 6499 52340 196850 25921 5848 141226 13814 370923 52090 354004 41358 365543 44548 37667 31482 54911 36124 27281 68781 331442 12464 46705 57135 22938 85965 118687 110636 77969 25434 54464 146892 174707 185470 14675 30238 76806 28865 405340 429205 277390 16541 10568 42311 328084 98446 164210 26406 7309 23130 102596 1678781 80727 44111 4918 412315 163171 160293 60851 192402 259944 266112 18805 349317 71721 7604 295031 100261 20036 57555 237880 212595 91545 40995 174446 53883 21772 34887 467968 13416 1416169 91178 395235 142665 339437 8083 64302 207776 37321 384013 34061 6778 8567 3648 1076151 55194 1010079 160128 278206 1196275 700032 131313 542779 57659 88098 52444 2379 59602 7313 166196 35488 255462 38319 269715 148672 543403 3494 91017 624067 21160 27164 379573 4919 13742 71719 624095 115995 12551 49667 188946 10252 71102 29101 151195 52105 55667 41880 180092 73550 346452 278088 265827 91046 171434 8837 734685 7767 100114 21598 35965 25931 295784 374431 241036 39160 215352 125432 19860 85161 25665 125918 278487 34088 436395 314310 92685 374475 24663 488932 56500 14886 13180 72149 42092 372793 18795 58663 100366 11152 246550 76304 21770 1622373 68120 18834 37697 57539 7-HDoHE/8-HDoHE 787 3726 8643 15179 6870 77660 451 32280 2685 434 40 15937 785 1828 122940 232 9537 260 68333 4342 63 633 291 10112 670 102 66402 44874 4310 44161 108516 76226 183 94 5431 8376 166350 53 54 3383 4463 44 134204 150 47671 3329 1225 1047 32954 38 15359 1312 261 57654 36 12849 302 58257 83 4436 371 7409 296930 106909 4533 221 151261 620 35509 190662 67 4930 8540 378259 5203 47 30742 1973 39 207791 11323 11226 34 116947 40242 2991 9564 1845 132 15092 75 63104 51 617715 421776 11029 200 642 137 6343 12510 421 56403 7821 2402 39 317 166 5246 27215 150 9515 141535 1042 398 38141 717 256 30 2730 28788 11375 4393 5168 38 232 97863 108847 53 6133 5268 1622 1739 128 18016 18243 21207 381 64499 15594 78151 274 1626 933 145 769 1981 160114 19486 104 4074 1314 157 126 3960 30103 73051 69 6252 38 24393 559 361 5032 97 36634 3602 210 10-HDoHE/14-HDoHE 1874 7370 13157 187 68952 340 34977 5620 1375 16245 1124 4464 119097 71 10646 39 67998 48 6452 45 47 1208 202 12260 1699 256 68583 45204 5992 6795 88170 72776 204 10617 79 8459 171390 37 33 3327 2085 101739 35 37567 4002 462 2767 32027 14859 1900 405 59223 16277 439 79745 47 92 39 8614 265307 74653 6082 144458 41305 130507 2863 524 369730 6413 30719 6127 209769 253 16251 38 122468 5081 2918 13149 2448 41 15203 61 69329 684623 440269 16931 35 134 12713 17710 779 50441 10051 4232 858 2120 25333 185 9612 163385 3982 233 36770 1195 124 3382 29534 9325 1949 45 2560 703 94509 97139 8600 34 767 3307 15293 15868 17492 708 34 46028 13823 60045 131 998 329 40 352 1204 133326 22200 87 6720 3448 1077 5848 30527 67357 166 6900 93 31778 1846 63 8114 46 40819 4185 153 333 11-HDoHE 766 6119 11039 548 65753 528 35455 4501 88 69 17935 959 3239 110479 121 11135 443 73229 49 6586 67 793 10517 1352 225 83291 41833 5922 5251 101530 65984 41 112 8679 41 8912 165406 53 1897 1731 51 108228 66 35006 2541 783 2970 25632 209 15425 1380 423 55277 35 13284 57 76942 405 44 97 7234 244959 67489 6563 132230 75 40000 129130 209 2779 1198 385149 4975 28411 45 85 188422 357 11966 108 106309 5776 1701 8895 1426 12570 62 65845 123 559163 425552 15668 103 128 109 376 10186 14941 794 49458 8846 2621 35 401 182 1731 24578 50 198 7765 152000 118 2796 190 42465 1190 520 68 2948 33799 11757 2016 50 110 2612 173 689 110362 104481 7220 42 647 1891 237 13896 16857 17553 1050 40 46713 13936 61794 510 1009 64 147 166 348 1341 118397 22494 29 3434 2497 185 78 5634 28200 57057 54 7344 148 26439 1533 253 5788 82 42050 2771 58 645 16-HDoHE/17-HDoHE 4506 39 11083 118 51 20733 631 100088 129 52290 11749 1802 30909 1034 7681 196434 329 18091 44 108722 35 12664 42 1718 751 19596 3267 868 104050 67357 14777 19091 127611 117813 72 296 22108 18154 288249 19 5851 3859 164803 46 59065 6528 1516 6138 50294 25703 3628 84 98028 29005 579 144140 400 43 570 17007 436103 104843 12757 83 214673 71 71302 180702 7907 1332 588700 12692 100 55155 391 116 368969 589 30125 180660 10184 4203 23683 5150 23850 138741 1014561 658459 31271 99 37 32 15930 29139 1255 82197 16749 6328 1962 41 4687 40129 158 853 16791 221438 230 7123 318 63360 2166 75 37 6119 49938 16248 3426 43 3966 1526 168228 153437 139 15174 302 688 5674 25635 25479 26840 3025 78696 26093 109769 636 2028 266 41 321 910 211218 35192 14269 7050 608 2703 11940 57609 111779 196 13005 491 55078 4335 53 44 14412 59577 8361 320 1183 20-HDoHE 3293 34 8775 14490 1097 62564 30500 10104 1576 24467 887 6152 123725 332 13579 78467 9762 38 1792 1009 14082 2309 1676 68015 39924 11893 13389 72258 76282 132 1016 19750 46 14160 203165 4057 3354 109852 31 35470 6168 1888 5351 34207 18972 2451 65 66169 18791 1104 88645 156 448 326 499 13090 292701 54977 17871 36 122278 4 49355 50 95579 5667 1027 352814 10137 43 32679 116 42 250876 459 24284 101586 8605 3386 22032 4198 32 15928 102185 602382 432283 27873 35 35 19944 20920 893 53321 11132 4943 4297 124 3081 29079 1226 12658 118447 205 6256 206 46489 1463 24 35 4827 33751 10495 3943 280 3552 3946 128996 107987 45 12884 483 490 5192 18281 15598 12252 6646 49498 19221 89180 681 1820 1374 532 1080 267 124191 20997 8124 5871 876 3656 9740 40881 74076 126 10490 120 39680 3509 132 9863 40298 7643 1059 1087 5-HETE 1229 6717 9442 400 771 18403 7322 56662 460 37692 8047 1364 3365 257 19256 539 11573 109248 326 15228 472 67991 740 20778 873 53 1974 2069 12671 3245 686 98149 48118 104 8889 130455 139855 79879 1234 275 7907 2869 18262 99721 115 692 4719 8286 85 192039 3623 89557 4355 2296 6938 37997 570 17386 464 8467 1424 51563 777 15026 3466 175919 369 4522 1161 5166 99972 87983 9421 300 153136 7119 57989 392 179205 161 5354 3027 228089 7570 1937 68222 2911 212 306123 10819 29426 73 91 204642 55025 7594 8817 3863 1680 20588 196 49107 449 424117 356059 11705 213 212 1618 939 1861 21349 2449 68520 14328 52 11057 139 2450 1698 7694 33027 787 1314 10013 254595 423 8070 2286 50395 2933 216 2217 6938 45427 17114 8829 339 274 7150 138 2801 103426 114554 423 10414 71 2990 1713 5601 88 18049 21083 24173 868 80 83572 19602 37396 3157 12611 77 1040 1445 294 3656 2087 180979 45564 683 13990 6906 741 1229 10578 15539 20780 525 9992 912 33963 5743 1819 144 10084 293 61253 5216 356 2604 9-HETE 1455 1687 6940 138 172 11423 3621 45101 654 31260 3661 17382 1505 51 15593 125 5110 127474 254 8946 55941 235 7910 390 1300 702 9483 1625 90 90754 53090 6502 102125 86664 78756 72 99 5038 1028 9644 105944 96 533 1139 2079 210 130610 630 53935 3838 763 3106 34329 202 14596 1368 451 55100 162 14303 583 219091 156 168 200 3672 85407 60247 3722 29 181573 1247 65667 73 84518 1880 1053 223909 8396 163 85594 1626 32 382076 2881 12678 34 40 170604 8466 4615 1732 1691 1341 16991 41 49056 441065 321445 10246 55 87 363 186 1504 18749 1850 53700 13834 3994 1141 384 2287 42934 215 569 6304 160697 292 3432 812 49785 1538 31 4892 53664 13064 2162 2224 193 764 89927 102636 119 8615 56 385 804 2166 190 9387 13615 20228 394 48676 15015 34815 728 546 79 2527 108 1157 802 187399 29906 114 4885 2783 76 399 5326 14791 22978 68 6745 81 28785 3234 437 120 9170 49275 3281 181 868 11-HETE 197 119 3897 70 163 8614 487 27078 365 21172 4604 480 960 90 13372 206 5072 96482 743 7823 459 40362 114 7026 252 1156 718 7123 1397 336 51953 35348 119 5795 8288 52391 57529 59 5598 148 7723 75192 44 726 1370 1875 39 82178 259 33467 3686 392 2357 23007 461 8922 94 141 299 36622 744 11046 209 180631 106 139 44 3234 64353 35326 3567 22 114845 1828 55202 131 50930 43 893 177 145167 8180 615 61217 172 39 279044 439 11005 127 118478 4833 3154 1582 1424 11868 234 32216 496 345219 214293 10322 284 105 582 1423 13804 911 34662 9847 37 3950 736 439 865 28355 94 152 4911 103510 3252 689 31714 1200 194 595 4346 32067 7732 2013 162 1895 750 66846 66579 170 7570 44 254 1227 1733 173 6720 8991 11346 2272 774 33414 11616 24538 786 68 98 2391 937 828 129568 22737 112 3714 4105 385 380 5210 11837 16410 3858 4777 33 22277 3220 193 87 6979 40 31850 2114 114 386 12-HETE/8-HETE 1267 280 10802 434 22724 704 72816 272 43458 6767 33302 3168 331 27710 580 11532 194873 412 20919 149 87106 15846 428 2470 857 15330 2949 1147 129051 87751 89 11449 22028 148895 122767 182 234 8995 1059 15336 160233 87 529 1323 3373 1918 192610 8956 70194 5319 1000 5619 45547 10948 21663 48 1723 622 76234 325 21583 204 276278 279 220 1368 193 6972 119267 100512 14468 313 246405 3244 131206 921 124420 750 2787 701 300315 13989 394 127750 810 503244 1808 19818 116 30 225090 10430 7264 3094 2027 136 26371 229 76758 506 648875 421931 18435 850 837 287 371 2537 28190 2261 78626 19725 152 7825 42 2209 188 2132 66199 163 557 10685 227365 165 5642 298 66782 2444 405 1359 9443 67831 18760 2838 477 212 4784 2004 1557 162260 185009 122 17363 41 381 1332 4704 605 15291 22204 29143 1409 65063 22896 54713 1183 161 33 94 14106 1465 1368 696 254719 84333 88 8407 7131 191 70 9949 28951 40077 82 10995 124 46444 4743 295 2825 14628 161 72228 4883 70 431 15-HETE 1530 46 4754 301 49 11350 932 25133 390 22935 11357 7911 371 17115 495 16892 102276 174 11054 81 40841 51 16679 190 2131 1357 11349 3081 1069 57435 35026 31 13629 11847 55816 68191 301 310 11537 13847 85465 337 651 2108 3825 74735 314 53012 5066 1289 8395 25723 405 10194 422 81 37057 29 16298 1065 204174 215 37 33 6132 77547 34717 8659 97706 172 73125 60 38791 1897 124 142612 12223 49 74854 680 30 342614 1749 25298 37 40 113316 9014 6320 3012 2169 16101 61851 304777 201311 15755 146 1388 21687 1742 35728 13705 14652 2226 651 1893 29145 243 1012 6857 93950 412 9953 108 33503 2343 5913 34067 10206 3043 174 2581 2404 82768 69754 3501 11745 516 502 5078 11035 11135 11106 1019 45150 18042 31890 2423 675 839 34 966 2745 512 129375 39737 57 24604 6978 439 997 16129 17541 19691 208 6793 328 29555 6627 99 582 10301 41 31893 4345 926 220 5-HEPE 444 253 1522 255 8600 106 5112 127 234 226 424 157 348 5064 818 5921 570 31 42 141 34 451 33 4800 1834 110 308 5419 10235 5345 316 348 87 712 9544 230 15 68 40 41 14038 976 8412 200 63 450 1578 1544 934 451 6648 280 1555 57 7615 173 157 449 35 1019 9574 4321 716 10533 397 4263 44 12144 105 210 540 22301 231 1371 4959 200 36 11376 959 50 7460 375 152 57 44 564 778 988 6006 115 53546 39577 949 266 117 441 721 154 5239 365 81 491 113 507 1212 396 392 9536 371 720 2048 72 38 101 56 2704 849 133 36 33 81 29 5528 8846 135 481 96 679 142 30 1621 1682 1325 241 302 17827 2682 9284 383 136 162 223 56 270 9340 1998 307 741 271 205 38 683 3413 6769 129 995 2590 98 308 54 268 1108 2631 75 44 184 9-HEPE 211 50 967 9400 6683 184 59 79 754 38 259 10065 911 313 9574 569 354 33 42 987 88 7604 2834 42 520 4211 11081 8337 103 637 39 554 18785 71 251 46 62 22262 1433 8680 420 32 72 2679 52 1355 37 449 10233 50 2408 13399 122 51 961 14784 5395 458 51 18094 83 7257 13179 34 127 131 44452 568 124 8444 25690 1073 80 12379 60 50 55 336 977 217 10294 166 98191 61971 1303 116 152 631 105 713 8333 867 355 39 156 2432 90 13330 271 292 3440 123 66 164 4769 1015 39 33 87 32 7617 12210 178 857 315 191 740 1753 1165 38 18293 3344 15943 116 428 73 159 13734 2027 317 40 146 490 5052 8381 56 912 4114 132 69 287 113 3412 173 11-HEPE 570 726 2397 22495 14924 1292 48 307 1351 44 1253 15208 1566 718 13856 34 1787 32 52 241 27 1969 112 9270 3997 144 839 6621 15716 12142 251 37 1245 194 1154 27390 133 216 34 99 30076 1310 18168 733 62 672 4297 340 2172 39 860 15857 68 4896 26855 106 25 431 9 2446 21358 7328 858 26 22632 66 13511 15225 40 311 39 50452 1040 13434 92 39570 68 3333 15550 364 44 96 65 275 1855 302 17379 206 139918 75286 2794 144 571 1060 100 2270 12343 1566 135 1528 57 244 38 3601 770 16871 1023 606 6232 159 84 425 7820 1807 40 43 179 192 61 15869 22702 154 1899 953 321 79 2297 2784 1883 444 49 29694 6637 26880 117 54 492 322 19737 3929 102 2365 386 538 1986 8299 14795 239 1616 7250 312 193 306 130 6174 85 181 12-HEPE/8-HEPE 799 68 1945 40 19187 10179 529 54 194 38 1764 939 15799 2486 307 14840 44 1692 106 47 2051 177 9497 4713 57 682 8174 17259 13820 65 54 607 396 1121 29224 1824 34826 1062 13594 698 47 478 4553 419 2535 823 15952 37 3921 20815 46 2233 21282 7829 1732 24667 198 12558 35 20480 35 239 63589 1003 13674 38 31882 31 1787 83 17827 361 158 30 309 1579 238 17077 55 153053 87211 2237 74 38 1794 39 1971 142 14581 1522 76 973 459 244 32 3665 820 20540 678 415 6248 188 52 496 7394 1557 122 529 257 17150 24571 348 1554 674 115 37 2349 2481 1979 255 25777 5255 26006 323 46 781 113 629 20138 4697 998 215 316 9 1268 8309 16517 171 1752 52 7498 477 112 684 224 171 6244 325 15-HEPE 26 106 36 33 467 28 7359 62 3921 325 54 54 1217 48 91 9222 1029 252 8808 1332 103 60 45 1368 232 7268 2395 524 7394 12193 8669 430 677 261 1407 22397 357 224 34 80 26133 2197 7832 211 136 318 2729 225 1339 1159 10939 264 2653 15764 1404 101 39 225 1695 17286 4883 868 16311 350 9439 53 12584 143 271 233 40599 427 45 11122 130 23992 1197 45 42 13354 157 138 82 126 968 635 13490 428 84484 56641 1769 108 165 1128 888 1152 9067 747 130 565 31 82 585 2354 30 588 11141 792 524 4330 366 33 151 4860 1217 38 72 123 10576 17010 713 33 601 61 1729 1815 1212 774 117 19286 4399 19523 82 363 35 593 12738 1936 72 234 172 1237 92 1294 6109 10036 149 1233 66 4742 320 779 158 1295 3875 182 332 5.6 diHETE 58 496 802 204 66 1871 364 10074 131 5584 514 800 2207 478 459 17610 1051 1337 13217 677 1610 260 1305 55 21098 7621 514 668 5225 25324 11597 271 721 311 1574 22260 220 151 524 74238 5161 15151 793 270 655 7148 793 2534 92 33 596 9126 123 3877 48 41099 1889 2129 180 316 640 17294 17543 980 789 28560 5591 11339 583 35070 110 139 1053 36018 1478 232 13763 230 445 71668 1288 3918 4851 3178 47761 2552 1046 1020 880 1036 3818 231 7172 893 97212 75270 1249 233 1874 140 1778 195 3887 45 14787 2436 228 592 493 45 157 247 4813 858 94 846 60398 48 426 59 251 13386 141 203 285 8220 2306 2245 636 407 1827 893 751 17137 20496 231 583 1253 19658 697 883 2112 3321 4903 216 76 18060 4667 7864 148 96 178 103 728 83 523 1625 47150 8561 1756 1393 332 952 1161 1751 3004 33 1446 6223 372 1945 1171 141 14885 241 41 1012 8.15 diHETE 67 244 45 5591 353 5877 419 455 44 1250 86 1204 10977 547 9815 831 66 48 1238 48 21967 5479 51 1347 16479 11002 53 98 671 9890 1591 42 29119 243 7665 230 290 35 4844 314 1120 37 321 6518 36 863 91 34654 585 591 63 787 46 7963 9141 1348 43 24629 163 8125 15 11408 39 264 81 34540 1431 22816 45 54 94245 66 1012 62 27675 158 296 222 537 112 3549 388 8138 129 59140 54618 2290 47 39 226 109 2447 6825 1782 60 1368 770 51 4763 33 126 159 18033 197 1025 5193 82 30 10132 2312 167 97 41 198 60 623 13641 12054 283 774 75 184 273 47 571 349 2289 2155 381 6304 1754 4095 154 34 91 112 400 131 34 301 16957 2313 342 150 1558 318 407 1887 1076 164 648 61 4618 40 269 131 8403 178 159 672 14.15 diHETE 38 258 39 2425 35 2192 133 44 42 424 250 3899 171 91 4423 127 54 8412 1954 141 2628 7062 3892 53 217 4283 244 99 43 16333 630 3145 83 33 1633 130 284 47 2640 174 10779 82 166 4852 3429 655 9709 192 2782 49 8830 84 57 17405 295 7054 26935 41 382 10418 272 267 132 138 1013 4142 84 23524 22260 732 44 53 306 90 1382 47 2970 176 42 140 285 54 1776 48 115 8362 278 2349 36 174 30 42 3905 601 325 48 119 227 390 7832 6984 52 128 90 71 69 247 38 140 899 859 39 4588 1062 2442 57 39 112 117 8837 2050 44 798 43 36 28 124 494 209 28 101 1087 183 93 3669 597 17.18 diHETE 783 40 745 113 766 1603 106 50 954 38 2555 624 66 961 2676 1178 39 32 81 1543 34 4690 166 2060 743 544 89 95 1055 5567 44 53 1676 1493 320 3028 147 689 2387 46 6367 114 3455 10591 134 4079 33 61 40 289 96 1146 96 8463 8131 236 30 417 1156 94 68 785 58 2843 126 298 758 45 74 1629 365 50 79 176 4128 3217 51 253 341 1740 215 1210 97 3017 563 56 317 63 408 49 93 59 850 203 55 48 1242 47 259 5.6 DHET 135 3197 1551 959 846 2882 2594 11012 4224 5127 1064 993 341 514 4389 563 1594 27373 89 1836 902 15041 727 2646 1117 823 118 2285 322 177 18856 7962 2236 1265 25853 40092 22065 2897 109 2825 2235 3957 42774 609 667 1471 5445 805 88288 1973 27211 1021 1198 1835 11941 2347 5972 691 1084 2411 14320 1373 4977 397 32438 1663 1961 303 396 1647 47774 17054 3767 1315 21838 1765 10648 1311 56997 1880 2422 2407 66160 1580 938 9644 515 527 70737 5412 6113 435 284 60830 14974 1548 3137 1422 1635 3807 1254 7952 1121 115092 90210 2166 1602 3074 587 4032 4200 5945 471 22476 4181 722 2605 1440 311 9100 2776 5391 919 114 3482 70719 203 2355 1738 3461 19420 974 1248 1493 771 8208 3788 4696 532 266 4366 1172 608 34688 33952 954 1202 289 2397 2506 1166 1152 3583 4804 4028 1087 1053 23618 5304 15098 1008 2256 1556 758 1446 279 744 2625 52619 12417 1717 2384 1874 1067 278 2119 3664 3510 1025 2720 591 13713 591 2666 98 4042 16460 14611 510 239 35366 levulinate 12238 24290 10606 14416 19481 5970 15353 30566 39492 38866 11329 22766 10366 12710 13393 15076 15440 16283 37961 13856 24307 9150 20856 27110 16684 20471 13845 9148 21334 55952 18083 23137 12598 23101 73278 17583 20926 18527 11848 8623 18285 15938 9133 12010 16581 18042 14087 17139 14158 12385 25001 49956 24914 18063 91725 16282 12919 22635 22094 41799 28489 17048 28678 28236 11185 40827 34791 21398 11028 12107 48842 121763 39330 72558 56485 42849 80658 152045 12179 57920 33033 17620 20535 50283 31614 15201 46663 23129 19123 45642 31975 45778 23982 11111 17695 19681 16064 50699 14893 22874 16341 37555 53202 21720 11893 21195 17965 39597 19873 17946 42653 21112 16069 43612 52607 25106 19870 48071 17290 18226 15157 17966 19643 18375 28154 15073 79832 39202 66769 23910 15888 17727 27946 33902 19755 102443 51099 41998 103865 50653 32742 36062 46469 23672 17022 16532 15650 24650 12765 34109 18601 61235 21162 18233 10843 20321 25142 20556 26446 17878 19289 18271 19183 19616 18851 14529 12135 12859 21997 12782 18283 30315 27087 27663 13801 15096 29558 16222 9753 30980 19254 19564 11199 21453 82949 16535 13735 45803 40519 17266 52898 21959 heptanoate 260 80 176 242 261 389 81 278 162 155 126 162 145 124 156 125 105 131 277 188 3696 237 1026 215 116 3852 83 129 141 100 156 153 102 300 191 198 185 144 35270 203 145 22521 131 254 4064 22921 99 159 21111 143 25856 236 259 48 266 95 5565 137 5001 86 6673 204 4593 194 295 128 198 128 282 102 260 147 239 216 3766 77 542 249 431 166 391 262 191 240 195 219 295 227 143 254 64 210 137 156 103 85 255 69 97 50910 207 7784 208 3981 214 169 110 3593 29209 241 2106 49 238 181 212 185 9896 195 15095 113 148 189 210 104 234 127 98 143 80 436 12883 152 115 16617 5985 112 51 306 196 1286 220 188 5161 157 123 209 1278 169 9115 74 267 154 177 203 229 186 1793 2717 235 267 198 326 230 3279 71 2308 230 225 130 179 182 172 216 98 125 55 205 266 222 208 230 131 165 228 224 184 163 133 74 193 467 129 2-hydroxyoctanoate 1146 887 1239 1316 1012 1293 975 1125 856 1009 1090 1973 1576 1533 1501 1708 1477 1520 1574 1775 1017 1274 1021 1228 1078 1280 1054 1271 1219 1537 1566 1182 966 1019 1079 837 1129 1208 3884 1139 1129 3770 1239 1077 1497 6050 831 1177 6284 1100 3246 1165 1143 871 976 742 1430 1172 1503 928 2579 1106 1762 1014 817 425 1534 890 1493 1306 1865 1392 1258 1336 875 1324 677 1528 1108 943 990 1282 1032 1568 1097 1265 1192 1073 954 1179 1085 1349 1005 1082 2774 1713 1387 850 908 31436 1145 1249 1385 1136 1562 1639 485 1294 10609 994 841 589 653 1211 1111 988 4456 1048 2393 916 1086 1059 1219 716 1556 1048 868 1361 899 1721 2222 654 1016 22276 1753 1046 1028 1147 1113 769 1299 1059 1262 1364 1034 1103 1166 957 1324 769 663 1316 737 1352 1065 1028 681 1179 660 871 1035 1227 1045 935 984 1198 980 1229 670 1081 1140 776 1257 982 928 774 1153 1226 1207 868 1077 1040 1201 1097 920 1529 1338 948 472 1377 1461 991 caprate 5153 3637 8899 13232 7177 17954 5421 37861 14867 12170 4822 4267 3510 4741 5347 5877 10440 10788 4729 18615 5416 12435 5102 8426 6606 7346 12196 5136 7887 8507 4162 8151 23039 6319 5062 8940 28309 25252 5499 3666 4083 4947 5315 25798 16940 112957 13957 4214 6571 46690 5378 12972 13028 6999 6662 10699 6060 9481 6036 3868 7812 13073 7380 12994 5157 10320 12858 14276 5596 5726 5389 16947 8932 5588 4816 6825 5566 6459 6889 35846 6387 20730 4342 8304 9393 8448 7183 4508 5801 9928 38297 19141 6852 5286 3324062 5988 5898 3992 4140 30913 15699 30886 50871 21542 55137 64154 24527 70878 13623 12932 14581 6032 10240 5646 13670 12423 6419 10226 7160 7824 9273 5162 6821 7205 5184 34279 57978 5876 6358 6080 21586 14209 7427 8774 6198 5017 5097 6368 17696 10472 7316 23931 13100 23395 8709 20150 7545 34734 5711 6065 211902 4806 4781 6695 6316 12642 5579 5996 16104 31582 11357 6230 18225 6601 22831 6895 12185 17380 4743 13173 50233 6851 5300 4062 6518 3398 4681 5716 9839 4689 5697 3437 14295 4448 7967 5969 21050 6347 14711 7445 5764 9423 3-hydroxydecanoate 603 1155 866 674 653 1223 1594 1465 536 908 564 561 827 1508 1522 844 1090 1470 978 2980 789 1808 659 1231 469 925 699 1352 707 1012 764 823 1007 455 823 381 1408 2161 914 591 793 687 689 3164 1032 3003 720 1717 774 2426 1039 2020 818 1054 1018 2147 719 1369 950 687 641 1830 648 1103 1010 766 1384 2215 1482 973 1272 2921 2254 2170 536 1811 542 3883 567 2750 592 3394 1767 2401 968 1172 1022 1239 527 2599 2769 2832 1353 1095 2076 2502 925 1223 1065 1743 1343 844 1025 756 4174 2418 1824 721 760 760 454 940 1566 903 1042 1211 1173 737 715 1387 1040 948 869 501 1468 1216 6424 855 1164 902 871 943 760 494 412 757 788 734 3036 753 1108 2227 795 2158 787 1556 1117 1338 906 1613 1159 1431 489 989 1294 860 1190 661 1408 1161 1234 755 2257 707 2274 424 1736 2885 684 3325 3089 372 2139 1098 972 1158 718 950 1026 657 710 1073 1012 844 446 1016 706 718 1916 1253 2670 1248 3-hydroxyhexanoate 1942 6005 1109 983 873 827 1289 703 570 829 1847 602 4054 2663 3386 2579 2412 1726 1595 2144 3197 898 7803 1523 957 2375 982 5294 821 933 1030 958 790 718 1083 824 1350 3678 6023 1237 1342 4245 982 807 9301 4889 1279 4078 2196 1348 3549 2166 780 3351 2682 1711 2833 1697 6396 3626 1616 1106 1788 1176 2426 787 4819 16249 2790 2221 3213 2513 2352 5437 1451 2895 934 1725 5469 892 1375 5770 12836 1610 965 4160 1229 2254 1044 1617 8122 1761 898 2307 2029 4047 1361 1609 2966 4380 1449 2437 3413 2421 2525 2516 2068 3018 5474 2511 970 3492 2300 1895 1143 895 3152 1011 4499 2170 1092 2157 1845 678 5924 2982 1087 1897 2526 4499 2093 2012 1677 2303 2323 1347 627 1199 3871 1771 3144 5810 2586 4293 1067 1513 2985 1437 2457 2650 763 2897 682 1177 1317 1168 7145 1490 2463 1831 1916 1337 3936 1831 4069 1429 3389 4130 649 1498 2183 700 1398 3464 6292 1840 1463 1302 696 938 831 4438 1771 1470 607 2949 1573 524 1962 2359 7672 4273 5-dodecenoate 49 583 897 77 1321 625 2127 425 560 204 59 59 247 591 27 472 2327 263 760 24 1727 81 749 378 166 447 203 330 735 78 505 965 69 439 2453 3871 17 21 40 48 58 9138 729 471 281 683 23 3500 1291 516 452 33 1550 158 1368 90 14 78 1211 254 383 593 425 731 337 301 230 91 847 2240 547 66 806 482 78 5360 27 774 557 1235 85 107 117 429 19 960 387 2617 191 71 1731 517 83 609 598 384 978 922 3344 462 5072 3564 2271 341 670 55 286 34 542 17 759 289 38 323 42 2694 284 45 463 61 15 162 10977 82 307 21 484 1413 182 66 173 123 48 141 377 192 311 534 423 973 2608 138 1475 127 383 133 885 39 439 488 321 662 82 1053 474 1093 48 242 24 322 36 284 480 347 2363 613 100 1378 341 213 262 22 247 1888 86 255 249 2615 145 167 59 159 2445 392 290 533 dodecanoate 31130 17007 376354 70769 53662 1207229 122636 2794883 219151 762344 76757 27736 15186 20651 82106 18544 582549 542619 98781 995130 119665 1804548 85348 883633 58941 57034 1634315 63536 634692 394920 36423 842523 4106993 48611 232696 62012 3443216 3610917 39317 15712 39255 29786 230290 2989617 260194 3690902 370878 209311 58403 3310098 41777 389485 388484 238131 25022 641107 35279 795322 34436 14846 69850 445772 38798 115335 23039 242864 77227 1992994 98784 58737 45198 2390389 413201 216231 71006 206622 48323 43807 41817 3191677 43448 616546 20189 456573 385984 73439 152000 28226 96699 779727 154114 597729 57113 44710 1722246 82483 74729 124849 55897 194602 1141179 271363 2392154 455509 3946628 2606378 1907563 2134858 84038 45778 512725 283581 319561 222777 1392938 413067 27928 507683 42761 253740 218067 84432 286716 90575 30763 352177 2544256 54927 103165 38067 197711 1250124 264820 116788 43673 299713 162767 851974 1497270 285273 1008374 2043438 98455 2284638 759305 2061582 327109 3030361 78424 755007 6419792 99262 50491 201341 217304 1252461 118542 34270 1213020 2462755 1105552 29017 1149986 70761 2177828 54517 832958 806292 19820 780354 287525 54719 135452 35578 48674 12885 33406 375653 833899 21399 349386 18912 1108998 31680 88222 52534 48828 55782 1093299 160426 20917 79501 undecanedionate 27013 43550 25868 40378 67815 33245 19437 30391 110769 21356 21008 74548 19223 26327 24752 34369 24139 25898 26544 24653 61653 24485 56401 22573 46979 94549 18404 19177 18931 20395 23134 24130 24566 44670 25538 71912 25839 20902 65864 23876 20822 98886 23030 29581 32429 110888 22828 20044 69328 19074 105735 20534 20124 17500 20290 15248 320281 20742 61424 19256 86984 29353 85034 20945 30729 19262 37927 30899 26738 33449 47857 22702 26695 25143 122038 19550 370282 23113 56880 66324 146575 25405 28915 23200 22239 54936 25871 27750 55674 19674 22233 20919 84107 44033 18994 20307 25127 17101 18883 66348 24125 249194 20299 187599 24393 25342 18073 122003 75436 22031 105613 12619 19919 20082 20567 19640 61208 20437 77188 22220 63967 21416 22739 67560 29189 18024 16045 22748 19301 39912 113323 18284 18546 130188 52980 20469 20119 21955 22968 97138 24068 24097 83293 18576 24128 21903 80924 18662 35647 19185 51552 19667 58163 25607 22554 22162 35586 48716 20041 24601 23914 58684 24814 165952 31500 157808 27979 22629 107722 22082 22141 59419 21409 20117 30544 23195 23487 26165 30427 121695 22329 20188 19606 22333 57416 26545 21167 113629 16313 25817 32049 34711 myristoleate 1043 3209 63143 126703 6735 136954 14207 181578 42371 71831 4279 7007 1250 17643 27120 18573 32212 138318 3107 85598 9261 234624 8015 120213 8703 5569 37788 5021 36942 67903 1567 38585 64453 6332 26981 26527 178070 160689 8196 276 3839 6488 14346 468878 27748 19284 38688 16770 3691 228625 6253 57098 47661 28672 3604 41309 5536 67079 2482 2292 5784 67353 5147 39701 9328 26478 38839 19384 7267 8599 5816 61823 35764 7818 5053 29404 1967 12931 2617 299429 2155 57015 4417 91851 9283 10037 4150 2328 6886 54983 23474 132088 15470 3940 127385 18185 12604 26136 6728 23784 86475 41356 258855 12603 286575 304873 347360 5130 3639 3654 16219 11701 16702 4878 126048 37129 5443 52240 7296 36899 19501 9675 54811 18198 3519 47364 448511 2687 7298 8976 18765 223165 19424 6400 9859 19017 10058 40358 46841 3155 2494 27506 20315 12109 54718 109614 6345 129675 3980 58707 25241 8106 8436 24436 27567 34130 14229 5553 33688 30368 72413 54559 19012 3410 13167 3132 2906 26203 18769 78640 45904 16534 29639 4887 12665 5176 4487 50225 115095 1883 28672 5469 261227 3089 74719 6028 7500 8900 178002 30977 2153 26446 myristate 455651 399069 2959299 1149639 820746 5157303 1448139 13372655 2983489 5337097 898643 599791 525347 434964 1303797 384780 3228369 4092564 1508669 5878039 1621627 5998663 1445940 4331739 1009723 1241405 8090487 678209 2462868 3682817 370993 5863609 16889610 1054545 1567042 1451141 12273148 11286264 765265 265028 600831 688625 4457571 10014046 1793363 3394824 4010888 1994203 926733 7212394 1489671 2043585 3294518 1204576 378486 3831429 435136 5896706 474064 417981 889285 3009512 656143 1561759 542165 2119809 1164305 3167591 593711 590046 915342 5847233 3716600 1377107 1223163 3169099 1241729 741714 952756 7437063 1278870 2234524 455282 2256670 2218903 940350 1200207 414048 1105458 3269051 1171782 2386689 1192462 979820 4469717 690145 1444583 1775886 1406578 1905672 6466082 3358498 5261187 1383399 7046631 5109701 6225830 3047700 1388038 461997 3448523 3020442 2153466 2130812 3921483 2665972 494272 3946374 878256 1567371 1604608 990878 3477051 1302223 591509 2425923 8135428 731680 1091786 951026 2672498 4445550 3558649 1369214 862919 3609204 2566849 5760912 3767907 1473747 2266690 3676358 1330610 3523681 3759033 8838947 1584334 8321927 745863 3769958 5029659 1061206 1044563 2977563 1809876 7350647 1407757 1087965 4214012 7731169 9634947 867919 4387718 1427414 6152983 1031540 2590338 2946245 789515 3764951 2095842 1017932 1409719 572873 874935 483807 553949 4692414 9909284 801645 2280373 377244 4346356 624784 1166050 754225 630707 1162756 4875725 1668198 424071 1342198 dodecanedioate 8805 22195 12406 20805 134953 12854 9636 11189 175358 9402 7754 60777 8612 9335 10304 12294 9467 10248 7538 8861 23538 8940 44287 9029 12190 39023 5398 6013 6016 5536 7227 9333 7156 40312 6757 42442 9282 9124 29448 7362 6678 38259 7417 11317 12990 72955 6123 9221 135565 8012 411173 9354 7696 7849 7674 7951 44146 9277 17782 8593 99514 9793 39403 7051 9158 7340 14672 29527 9247 13625 12973 7533 10702 11909 50103 6970 409606 7601 188187 15657 882414 10458 14277 15053 7618 28158 9259 9755 32395 8720 14670 9776 29979 13417 7395 6889 8584 7401 16750 63739 8360 374832 7362 1060485 10478 9664 6757 589201 36928 7399 180153 6143 8157 7031 7924 7144 29805 8061 32594 9859 22951 7158 8346 28980 10635 5646 6796 7397 5689 30755 510948 7274 5842 53003 27149 6483 7440 9589 10603 708787 10673 16683 636380 11474 8826 9110 33837 6926 25526 19761 23395 9083 26557 8532 8241 7213 18824 17468 8124 8613 11954 11216 8454 311086 14568 1099350 10524 8110 29902 7913 7435 24436 7248 8841 14784 7215 7534 8791 11333 62380 7385 7568 6638 7695 39620 8593 6884 218702 7011 8544 11333 13823 pentadecanoate 109942 270533 215789 522049 723139 218494 180616 649996 901218 385203 173864 966505 1413303 166556 268812 142549 400811 342470 193641 315074 1399618 166793 1227714 231358 843304 455777 437716 126813 133254 369894 129975 449302 1053194 1110066 146882 1065071 514499 237715 737995 73633 85675 624323 708774 204925 490766 348032 381570 297883 1630953 162929 1547549 219536 558098 148475 240513 402715 254071 356607 569367 267144 525524 467468 1065091 142699 572767 295438 213237 125126 102416 134454 188497 182015 624855 216870 1483346 628525 1003564 323860 1047902 210443 927108 247793 308456 103936 314599 670152 188622 221128 651415 238623 321607 321768 639962 581364 281786 137867 436791 1474689 1343913 432021 578903 1178717 126469 733724 104512 109818 318747 1038398 2055164 110038 1938255 290619 251531 299525 374016 479981 623819 612859 1145784 658529 492488 244525 259581 521068 455542 431128 315605 156529 254093 567946 848318 327394 466598 1186909 984381 342181 614693 522755 116932 1349665 73716 70916 1051628 71341 134415 262993 127795 314289 352919 668260 1132090 198802 1283266 133926 256199 605890 339005 768768 235234 349327 810574 276596 136861 1178200 230909 1258877 131455 210800 449053 367066 113062 1623121 102392 87309 457529 1394652 328428 638513 771466 836287 455357 830480 168182 354884 339246 207938 172857 746437 516958 433875 681519 967885 hydroxymyristate 2152 5502 2014 37178 14939 2063 2113 4942 26327 2013 2835 24913 2142 2528 3959 2581 2543 2916 1748 4796 55037 8016 43737 2840 21561 7432 1745 1637 2846 2070 1912 3053 96592 29125 2385 34065 2663 4197 17418 1957 1848 32109 3508 2557 15286 21728 2200 2766 13417 3736 58014 3989 2496 2192 2583 3265 6785 2466 10453 2521 25826 4032 13652 2765 2314 2706 2844 5359 2642 1737 2233 5406 6385 3514 28112 11948 21431 10034 18062 3993 16399 3539 2685 3264 2457 25157 7073 2225 33742 14478 3909 2643 26950 30614 3397 3087 2827 6809 4010 29885 2261 21128 3593 12767 2955 6320 2082 17314 31422 2033 35739 4920 2939 3241 3787 2297 18870 2762 24333 2701 2836 2394 3791 30341 2702 2632 29487 2619 3121 7575 32003 37780 2669 26069 28456 2595 5462 2460 81920 16567 3303 7648 15691 3414 3276 2166 2497 2555 10739 4131 44460 2632 20622 3812 4910 28507 6382 10030 5034 157122 7603 12821 5731 9728 5290 14483 2585 4535 78380 4966 5968 44249 2751 2481 20300 2386 2582 3260 9275 25954 8841 3444 26191 2539 2949 3517 2216 26061 5203 2436 2753 36876 palmitoleate 298852 1101591 4335679 3101973 455445 8436119 1093282 8949568 1238858 4385527 686728 706450 442717 725848 4264770 886216 2665404 11801078 785758 4712373 961117 8133023 822350 4479865 747678 547174 2261974 768881 2970584 3162756 294998 4157344 6252976 583899 2885064 881426 11369342 12819049 715521 131367 803091 681579 1285647 23677290 710981 545500 3389706 1536784 404295 9398824 626741 3670314 2103028 1199819 597714 7109939 1416130 9385033 404760 578261 914089 7389063 1887945 4122381 9864742 2401528 1560661 986497 861445 381165 823331 5180340 7310749 686866 615644 4659950 474421 2581928 296851 18515974 480519 1877448 777181 10913367 997034 994637 1111407 340081 769317 7185901 2480061 6789600 1114854 368836 6170558 2213181 1308718 3359202 895263 603987 6594528 935649 8949071 1542762 18919865 12126126 6784169 942843 449589 630049 909813 1738227 2666484 721975 7387199 2554385 469465 2702592 935398 32236400 850725 950970 5619224 1769295 687030 2169381 24188204 318498 1139253 502090 1011531 10261653 1692274 547232 881717 1116252 2503462 2483710 3408334 509114 375956 2358295 1104704 962573 5868778 12108722 618296 7618317 444219 2889497 1871017 1069399 829849 4106095 3815372 4423122 1500013 928348 4108594 2678980 6348140 1326292 1758909 408928 1265793 566803 454744 1746944 1909158 7945137 6157037 977675 5032271 1493195 524717 825367 550678 4538956 7549235 604653 2117115 1286461 9180883 632769 2004161 425775 1388383 1051286 10375956 1552880 362088 1341891 palmitate 5986903 10689891 11875432 8972437 7094491 17006897 8733700 32405859 11177424 18545791 7814736 6880082 5570703 5940539 10111821 4846175 10951244 15699081 14111696 13768634 10317755 12543218 8174222 10454700 6501028 10921654 22670742 8504856 10344737 10650720 8915366 23371069 35120240 9101920 8987171 6716417 32336304 27021328 8927640 3905558 6428940 7425452 24670371 25311266 8159885 9138465 16754425 7493028 9383226 15273946 12212131 10206904 10463537 4715098 4995010 17465850 7187648 19083313 6820079 5396359 9129362 14641939 8879185 10134494 11298624 10438017 9968289 10408990 10983942 7037386 8887777 13769979 30542263 8905504 10042653 20344849 9615113 12983027 7273041 17849321 13153419 7232947 5436245 10366971 8214218 11489082 13199595 5373713 8441190 13820014 9328243 9806174 10383883 7575316 9194754 6786144 10977361 7935653 12470452 7791093 19994742 15697296 10027230 8770525 14436567 10715692 11258259 11846004 9206326 5839588 15958254 10267329 10582683 13036102 10601074 10217910 6479501 11925528 7497031 13923151 9458426 6248001 18496281 11453896 5569215 8355742 18869565 6476135 9882886 7468807 14927587 10627262 15078224 7887401 7454143 11729099 21210079 17906875 13240971 10351807 14014375 13995688 11683604 11622578 15424365 21404926 8299506 17337064 7722573 7726093 13039031 8660544 11738519 14405909 14682244 20269316 5597948 10872427 10627982 13122767 23912755 9464329 18453799 9367338 22399414 7753326 18912948 13059374 10808127 12245740 9134021 9679777 13134608 11265437 6916062 8977183 7932987 21931046 37661784 10161107 11824697 4036442 10768105 8847697 10793538 10314925 7888243 16410349 16591073 12278762 5868175 11739796 tetradecanedioate 7116 9311 6765 4181 9514 6390 7087 5807 8899 4837 5234 7539 7313 8079 5242 5775 6266 5379 5891 5289 8171 4643 7074 5061 4962 5891 4301 5217 4574 5723 5972 6224 5098 11043 5646 19320 5751 5137 16253 6393 6081 12712 5982 5820 5389 5667 5248 7025 9033 5391 13809 5311 5160 5438 6578 4186 7241 5861 7424 6449 15164 6275 12731 5470 8895 4598 10041 13381 10499 8154 6520 5505 3905 6291 5294 4484 9346 4937 18894 5882 14499 7513 11510 6143 6438 10547 6329 7931 11428 5755 10257 5302 8831 9700 5198 5291 5029 4993 14894 7167 5296 19804 5151 15865 5119 5584 5119 31715 5822 5682 6234 4680 4996 4682 5156 5339 13719 6690 11631 10701 9530 5757 4386 11694 9662 4405 4506 6173 3140 6267 10613 4700 5390 5652 5106 5411 4510 5586 6444 7191 7180 7798 8976 7278 4972 5573 10997 6030 5133 9928 7743 5215 6352 5639 5674 5450 8463 8886 5966 6780 6695 8416 6547 17928 8950 17173 9066 5503 8577 5705 4870 8430 5304 7117 9192 5874 5770 6764 7795 12159 5977 4886 5307 5066 10330 6545 5310 9917 4407 6753 10323 12461 10-heptadecenoate 42988 183095 813421 477187 71386 887532 202324 1265017 184476 560364 112299 87903 108415 105991 854398 167890 524882 1914439 182348 667752 106711 1103205 210741 775681 119114 192823 335096 152388 420402 549934 178009 725338 924624 95312 431895 81730 1257804 1018911 161303 31176 97978 135550 101485 1880441 114807 111025 295046 161367 112703 1171132 109400 601426 388104 157353 78272 645839 218493 1166085 75934 92508 121583 1069350 100165 638861 440855 285916 231250 221928 333188 69943 128090 836964 978200 727411 99436 642546 75981 321195 45928 1477356 85103 239774 111837 1146728 134277 159144 170915 120313 111459 776439 482419 803477 133862 53722 731417 271100 201992 442182 111428 65200 824994 159505 907069 185724 1615507 1311961 1210994 213965 80295 225798 198628 1138936 432492 106270 913002 366884 114136 444212 205841 2181209 191683 110137 585693 357133 135960 297989 1864515 49009 128811 95807 170993 1011536 238072 70218 125901 170823 350447 322428 743086 119877 67431 701055 266282 379369 505473 1309718 109040 1032501 76725 439522 233623 129143 129759 466535 508749 494050 222556 94838 471885 395106 1259821 317224 327783 60486 275449 102854 97896 245506 213745 1031043 883957 177932 624620 312946 63835 135574 130541 615577 932660 104604 326254 832736 889974 92388 357827 50568 217170 310580 1199461 240681 197912 145262 heptadecanoate 415359 285963 680168 389088 415571 985299 666588 1601379 481164 1485470 574479 563151 572425 293067 364032 155921 1046668 913385 980320 679327 775218 894543 526950 1027816 392259 647205 1282271 1127742 761023 1041634 969426 1861227 1900811 836915 720207 390030 2012745 1193094 595871 326303 618785 465173 1241773 622562 481031 433880 866094 419126 918460 983401 1189415 790135 1189861 403203 306762 828521 290912 895606 416824 365298 554284 1102484 411950 672509 259532 1001064 640445 232047 358320 358051 786263 504886 1503549 487463 772102 1385553 693049 1149842 629367 803802 1180176 414259 346292 422745 717035 769389 1555405 278891 520739 772094 849838 590203 694831 642249 459828 449073 1102003 847587 1689617 451627 1318958 1104518 585134 623809 410065 329687 856701 725986 964147 355586 1532761 705008 830978 1030076 641067 903875 377365 1522041 437399 607386 749885 563184 1054230 743320 390594 568531 562909 537214 399197 605734 750059 482136 1328399 523073 528099 1024987 1696995 1561956 477267 767816 440168 327366 629936 327392 750637 772968 452616 873027 408962 580376 846470 796605 766552 857448 880934 1069172 169504 1518529 814369 714278 1886282 793883 828349 730102 644169 708009 480933 383275 832654 371081 595768 801892 863734 850286 537037 1123439 1104302 1754022 2457317 524177 973750 382061 413608 856041 646950 591364 752963 828964 1007032 1080444 391305 1065438 2-hydroxyhexadecanoate 40067 249102 24209 737557 795065 41396 55085 26244 607481 31274 50361 1102151 63292 62783 44350 60435 35544 34303 35111 29833 2374490 110574 1597275 63822 1281446 341398 28697 39570 43693 27894 34953 29073 740179 1537271 55450 704422 42636 41336 864943 52109 40988 2040371 64879 35061 791074 411135 54270 49261 1270947 51902 2606097 72853 37282 47270 43664 43352 200943 30123 281409 65168 926243 69807 697061 51808 51688 50844 84097 46135 41142 30742 26913 35829 41059 59981 891002 104463 422658 136643 836134 49035 637531 45974 59272 31208 34728 1214361 135687 53321 1611900 188777 93116 44193 1163265 1176505 55762 49470 50454 142034 164529 905753 40753 423652 47099 376094 33997 42962 32397 445992 1309097 84082 1421866 72601 49378 41146 56735 35789 1364257 69827 955362 74976 50593 39831 29919 1835680 70971 36069 169510 39698 59474 414758 1693397 273234 39425 532802 1416918 46412 68872 31742 480028 460300 55860 60842 522752 34920 32850 19948 50355 20843 832229 68148 2317724 99656 1533564 87325 74019 139316 121259 533734 67621 994689 103749 1106934 80407 166980 58984 298351 50814 44749 3129904 97752 65828 2169162 76927 55050 1091254 100371 54425 58817 122375 1131577 162612 95503 167572 51877 47350 91157 33343 1969545 70015 29625 57639 2417310 alpha-linolenate 132602 3282069 4872919 4133344 1791816 9833194 319105 9004647 3238158 3285979 308431 13750675 455011 2138522 2727167 1391221 1557752 9452793 1690873 3186575 5269617 9364120 573877 3004105 2136872 18426732 2138447 2003973 2808873 1852503 545424 5127008 4676943 6225407 1707934 788182 10458509 17131481 3695655 2238863 652343 6041337 2027404 42490204 2583047 9570273 2715098 443476 9861228 16570792 2468763 5864302 1224712 1541737 246002 6344818 1648468 9509882 1140609 156702 4043684 10537520 1193105 4925239 4036968 2010235 1452285 317847 2041182 6938102 521170 6255855 5086735 3030331 1732554 3068259 597479 1103391 2079996 14699252 4997451 2985354 451831 11313722 822708 6395723 1032388 6548481 1494608 6192938 972216 8480293 3018056 421766 7188515 2572375 492078 181876 60900 15735947 4859640 9260968 12118139 2485417 19188296 15999783 7085752 428093 1034126 503974 1316326 194285 1821239 880877 9619440 1541147 6535937 2187867 11361090 5708114 1006240 182042 7570032 3379607 119755 921488 14406492 242095 816927 556690 10048512 6333422 899971 484498 5378051 1010324 1298863 1834312 3828081 1099180 1598361 2895725 2380317 2549993 9681208 13167548 4460411 11762794 2690142 884843 5997680 768075 1090903 4870422 2543348 3982032 5500503 4875059 11988070 5082559 7106267 1428891 1742667 4750788 969031 2055594 2575178 1804346 40008945 8995822 9124499 1459763 7842328 1167303 544467 845269 249055 3093978 6634188 15596142 1710738 650406 12235270 219533 2077537 1382272 897114 7709898 6872107 885198 379515 1110548 linoleate 1736126 27746962 17207753 20321435 10474064 22684882 2294837 17434711 15118051 9549118 2562268 12246320 5463757 15330231 17222217 17356397 12262738 33937085 7241009 8683658 13978104 11302374 5872463 8636445 8739693 25696463 7614324 1644421 12388200 9964249 6157946 20148461 20082221 8323268 8127291 3883161 31487180 32838768 22086356 3997826 6563500 15460164 5198875 95066517 14304102 28621949 7804205 2032492 10084875 26153493 15750535 19515168 9278684 3868338 4060914 24174824 26007979 36106621 8936281 1829279 17727348 27498859 9584212 18608367 23391020 16512111 23524292 1244433 24549122 27591133 3120620 25128119 26720669 2147424 7206996 18520360 13099725 10494026 6311128 34636797 13703099 8408770 4467966 34381990 3129290 22291122 8888891 6397199 10246225 17342410 4625235 27424038 26796127 4096761 29104918 7831401 3517676 1759986 608243 22054471 21625054 14972986 24108860 12096547 52899714 36176855 22934535 15987565 7994223 5411081 11426438 2846597 13366887 5907624 30171726 11170679 22451769 12015822 20485044 32349398 14031203 938390 22657110 57658853 2052189 6500734 61820503 4041393 8643664 5732535 50432216 22516514 6253424 6555817 14464140 2613372 10025630 8998537 11917876 7837128 7410971 7409667 15376481 7826549 23053053 29320933 12663934 29145776 19889682 2417143 31407614 5757271 12948460 8924291 15742295 16969796 17102149 17471370 22326535 14510622 19001017 10111941 5480754 15561187 5560356 13665747 21840098 12395949 26942762 36873224 24125040 15895938 14840140 12276472 4060087 2932386 4340712 12958231 16035949 24165231 8998696 2959192 25925099 4165465 21124267 8100839 8853169 73933912 24209469 8905873 5979814 7943202 oleate 11332418 27593703 57373736 41516994 12057949 71538300 18976839 78718760 20728319 43832567 16790844 16286739 8586593 11300860 43854521 17525937 32523381 66805501 19552263 41910296 13655004 46433861 16230071 35431861 10613695 36052272 33358711 13447218 27913148 30987485 10687450 56663329 66139505 12469773 31072778 16261775 69292803 63885102 23092818 4681161 13102981 22546416 29973289 86327204 18014301 29501085 41100256 24249281 16719203 60392151 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20720090 24751423 12365754 25720569 16412703 18561227 22087753 30102703 54480857 47663297 25211188 42278288 32604584 8309805 11441777 17932696 45324233 76812271 27612090 32454113 15579087 48748354 17511349 29356247 12730066 25068959 40404526 56992886 22391422 7570813 15123963 stearate 4444650 2094717 3353238 2964127 3880846 4448160 4210725 3537967 1990385 4383869 2929437 2948496 2689744 2935905 2305556 2581756 5174869 3815706 5034089 2570830 3777695 3947731 3404901 4856537 2779655 5820866 3945734 6025525 4412424 4982929 7671848 5742212 7584998 3837855 3672351 2717835 8071227 5023133 3290456 3347199 5087667 3359345 4012302 3546719 2832579 4783900 3825873 2605564 6636252 3522216 5268084 3525859 4693724 2763610 4240501 4649547 3285037 3581494 4831776 3287844 3384899 4247796 4769642 3042129 3495660 4905208 4130007 2252722 3111936 3740980 6220074 2311750 5641371 3288464 4136848 4751733 4572786 7003400 4135472 4087123 6798099 3006540 2849849 2165841 4196794 5122001 8417506 3199508 3758627 4401375 3456663 2582127 4083034 4763624 2001436 2585331 5083129 3128815 6122591 2518353 3625797 6434861 2285103 4875137 1849097 2010852 3920975 6604410 2446511 3174915 6304926 3424192 4472284 5111923 3398039 5519176 2744820 5742159 2566013 2937846 4041857 3686681 3321594 4167690 3784359 3036582 3028585 4838518 3512483 4159274 6357326 2772898 5417660 2973173 3374634 5228451 5897094 7078180 3287482 5776325 3880111 3075275 5031893 2665436 3446666 2909819 3851579 2751267 4081688 2405409 2409906 4565953 3359374 4312050 4612845 3144462 1864219 6525094 3549615 3953835 8897171 4930028 4168567 4674176 3719696 4314926 5025698 3599939 1866561 2107940 2778270 2986934 4101041 4244440 3672601 6391103 6257595 7993991 12758373 5189717 5452052 2073042 2436743 5681629 2901731 6918160 4339232 5485983 3792580 5579603 4453080 4804538 hexadecanedioate 7335 15316 6912 18403 14374 6785 12304 6161 7067 5388 6623 13337 7922 8538 6189 9252 7241 5470 5954 5957 18893 5890 10858 5386 13917 10473 5459 7645 4714 5678 6375 5996 5249 15050 6094 26734 5644 5280 14487 6034 5339 17801 5556 4744 16476 8748 4407 6213 27984 5401 29780 6565 7194 7420 6714 4926 20931 6470 18986 11525 21396 6446 16806 6576 16480 8124 11509 17225 13984 6244 7373 6927 6268 8423 9956 6454 31463 7402 46433 5671 28647 7669 12962 6013 6845 13097 7270 20203 13663 6385 13633 6223 10239 11663 5462 5627 6509 6897 16483 17632 5963 32322 5940 16487 5603 5513 5844 32649 24878 7926 22688 4780 6183 5688 5983 5930 20156 6970 14912 60914 14147 6542 6277 16919 13685 5960 5033 6822 5085 7447 21658 5102 5952 8080 8312 5821 5698 6245 6915 10281 17825 7483 16686 8354 5369 5598 15292 4964 8764 8656 15868 6858 11898 6771 5070 5379 11201 12936 5597 6336 6997 14322 7849 37522 10852 25713 11618 6700 19550 5430 5761 8199 6410 10659 13837 7565 6610 6528 6933 14844 6276 10579 5154 6445 22271 9027 5879 18157 4358 7061 10613 12969 10-nonadecenoate 89208 140045 1624898 195828 39829 2310220 332077 3429238 222663 1264141 269565 95896 114641 82484 1620900 76611 813026 3486959 236855 1322676 197713 1692845 98301 1175143 69805 170854 849794 235969 503688 734962 137648 1760985 2619217 63405 685842 210651 2723456 2266668 108991 267347 152737 68037 713196 4401520 99391 79173 727296 361330 86420 2673806 113024 1037627 622659 347564 70181 1572712 58388 1823879 54111 109213 76260 2359130 54320 1161339 73081 616770 195319 227226 168428 60511 350408 1581578 2602931 243301 59464 1261542 40863 417780 38988 2677973 90758 331895 107112 2566197 207600 99251 249940 102715 67058 1103192 754836 1166390 112045 67998 1672896 676748 816532 1030465 260860 86370 2081359 167081 1484110 74596 3169973 2236833 1283385 75377 61262 92782 177758 678910 817488 309221 1249814 509780 73104 524739 108563 223391 110670 323949 1640750 220355 156230 823284 3176402 94799 677298 101857 141947 1174267 348749 82682 89060 637062 827625 766264 324226 62649 76575 217778 100041 167265 2181894 2697566 150763 1865120 82579 825476 185964 340805 158517 1283906 1067269 1138998 220528 84718 716444 607363 1550039 277003 604903 66844 226290 64486 80182 272305 247669 2060435 1320173 114760 841520 594059 79195 161726 203557 1127494 2796750 88117 576496 268888 1405533 180570 303339 71487 395804 178986 1880958 291460 47156 190718 nonadecanoate 47559 24086 53269 18033 48549 96591 54964 38783 32846 44709 21188 40267 29128 45728 31203 17780 96565 138580 35457 9457 52040 106660 41929 52684 52644 79067 19753 75803 49409 54403 82975 56088 67745 61730 47569 111222 553002 195418 64182 44714 97916 48294 26889 181494 58176 46758 49040 34505 106418 167773 157395 82731 69503 29035 44301 229353 24841 80890 55657 32244 37818 328846 30535 40760 34237 94112 61154 8866 36613 31642 82808 22447 60436 34486 51401 38076 29564 111253 48377 591226 92826 26410 38436 86042 49038 91136 209592 25390 41089 87661 27733 21784 70513 65202 17628 22334 47412 36092 109418 34042 62408 127724 28786 35688 51966 36170 75514 74075 32983 31264 124345 43314 39948 28617 87403 97074 24090 118189 20649 30385 63237 25611 11513 61343 26406 16449 214422 38489 35119 73960 125123 53105 22407 29062 41397 38741 106721 198045 16274 84655 20563 9545 47084 12511 61079 43395 44529 15767 34284 21076 44262 46289 65814 46110 84631 14055 8087 121606 51930 39837 624879 77059 29110 66994 13327 65079 22011 17292 34505 18832 14989 42934 36387 67003 50902 127557 99747 160716 429099 45605 73683 14747 30841 56014 42302 61723 41009 93332 147717 49346 28520 118447 17-Methylstearate 30130 78608 64417 12582 14399 82413 52787 113231 19999 63420 31991 21720 8217 19657 20375 7657 60650 86181 53977 38022 29831 62476 14842 64373 21627 25882 40294 71228 54368 57261 53792 130505 328888 24458 51916 48552 171627 94005 19054 7766 34757 15512 37098 67418 17912 9371 40967 28340 26184 46528 49971 26904 56580 45429 26232 58724 6680 46468 16837 23876 12910 109572 8444 40520 41059 69849 27975 7788 15911 12864 52066 31551 156486 75226 20894 95982 12643 77203 21290 99443 36000 19303 18509 28794 38356 39534 98485 23156 27619 84733 30729 24517 24509 21039 18577 22468 64650 81423 59764 10629 54377 50211 20895 13886 26940 19701 40114 25758 10629 10107 40677 46995 27923 64380 37025 56449 12219 51556 9718 13349 44620 38898 83489 23220 22369 38627 45871 34583 62323 32647 40873 36271 79471 12030 18316 49744 131077 87681 32217 27431 3278 7975 13721 5123 78749 59464 24283 59091 20471 29968 12615 45310 32081 45969 80523 84809 6482 42406 38284 69656 131809 52956 24624 51218 9698 35064 2824 13449 12061 22151 41925 17927 29615 61818 30184 72238 66601 123886 364264 13280 74682 17456 36595 51836 21995 16321 36761 19254 68417 38779 8499 53824 eicosapentaenoate 93994 25573 1432097 147495 12405 1727115 200027 3987231 70767 2686853 819853 68992 450108 111536 1140829 187626 866809 2437216 201682 1199223 45299 2359878 28174 1443345 174759 11193 509153 242810 798546 811778 218986 1349382 994526 26377 635425 5740015 4143578 5602832 69581 287830 666911 39607 970790 11315582 46883 70101 638734 308433 8827 3976179 37409 2889067 723041 533009 382857 2067592 33484 2008601 20285 109442 375771 4444293 73683 2468787 157436 4290879 162961 49457 317032 77112 1503040 2855423 2322299 801233 99004 2048631 36080 2695738 19724 5966173 11628 773615 230124 6782954 568703 89015 1936479 58351 48789 2221032 144963 4255407 42069 14962 2099294 607043 458382 228794 247677 45725 1453156 31465 5627368 89103 9527657 7812196 1874688 51299 14344 52591 89749 149787 781644 439004 3068732 767574 36232 1359728 18729 272611 106462 110074 920950 29194 230622 522698 4510338 152258 2660610 108895 159891 1909293 173887 36166 17883 333230 912797 412207 475506 10006 62010 371325 54099 269502 2493979 3543840 74304 2039145 28631 130814 351951 1012247 54572 1822577 1282887 1088889 929338 36004 7368118 3220828 4149072 507774 73549 19505 123434 22484 61675 315561 80186 4416679 2651632 33797 2496500 349209 562076 657367 1113442 2707166 7587723 69437 1387686 693554 4602719 736508 51126 159213 513091 22791 2102977 754358 629284 85928 arachidonate 1629124 648188 7946869 955708 74306 12715179 2537745 11880904 324902 10118393 5417288 359400 5097972 943490 11455108 907928 6960403 18932723 2081909 7944133 233146 12110098 220640 9395670 1070622 70690 3635610 2454033 4946329 5462008 1955889 12073844 11030911 254977 4501466 17493130 20159417 24082201 374683 1502637 5496405 226726 7363365 35572292 258375 175364 5419584 4240404 137552 15496289 263651 11945622 4884798 3106026 3091120 13462827 249101 12943577 164944 1503034 331647 15800467 386097 11041086 1059343 23405829 921040 1598175 1384466 214888 4757075 14498604 16855648 4805584 374846 13272238 248309 14671647 167026 20228812 69199 2787757 1567235 18907766 4191103 651076 11753037 1021172 240461 16861830 3349338 19502878 574206 161760 17294002 8612229 6820307 5382631 5111762 301283 11905574 243124 14914718 319602 24726706 22065238 10070878 212673 148160 884725 825657 2754960 8250243 4787899 13226800 7780796 221871 8180332 153776 2303237 747183 2293917 10270038 601285 2725736 4634334 31236748 1940324 12592382 701286 615278 15373401 2540716 254275 165197 3655534 7677804 5343163 5053023 111193 1023229 4239220 316208 3640383 14513493 15785958 803633 12154276 303887 1369490 1756899 7898726 537831 8368931 8141035 8688140 2347598 165453 14248677 10663177 8055638 1998617 914338 129359 2509700 137851 1678513 3638809 1370211 23979249 17029904 510954 12657222 4452240 1423043 5405382 6595958 7245709 13542673 250872 7037856 6007970 17433332 5560237 753374 929056 6733223 153838 16718350 5639023 4287964 1185901 eicosatrienoate 1170208 4389918 5676503 532258 58085 9024726 7079623 9300507 930710 5253431 2460479 759265 2080981 947226 6715001 1645301 3454263 11299456 1445342 4834566 298113 6428955 348559 4701796 835465 122935 2787808 1612568 3148541 3250378 859685 7934860 8746031 436132 2529131 25633920 14422217 15721802 447662 752723 2755102 205549 6044916 29617167 267778 208464 6508685 8520571 200401 10578577 558674 8064294 2712057 4463113 1937402 9091762 230704 10994250 196597 3178072 498139 10645040 268911 6102998 374210 7423085 1544197 6228163 2859119 190026 2514993 9914958 10943307 1879806 380341 6345898 994955 5804194 118419 13542263 245523 3251149 3532022 12483621 1927284 1088307 3845213 3158790 323558 8332199 12191110 10190328 275899 253876 10126725 10893075 3809965 4954992 2486037 191855 7097106 148633 7131873 370666 13721673 13121776 5103130 123761 151386 4302383 518065 4963175 5014082 3369756 8722291 4220060 195688 4310290 147916 1718013 700537 3298137 7308303 1500552 1306925 4562584 18000198 1046415 6628704 592388 984204 9056534 2993472 233484 697752 2562865 4276505 3407324 3448496 201473 465734 2953295 295238 1481439 11463866 12251899 735656 7171588 176938 5322699 2904298 3371043 985662 5211191 5012937 5650562 1161256 145332 7568266 5644986 5178947 1147133 2663117 103799 2066854 191777 664245 1839314 3781009 13117403 8585468 1096707 5124653 3262412 1415650 3141255 2798472 4585053 8125398 206870 4273915 3126447 11847447 2433115 3214697 478221 3311381 196846 9866127 2412490 1096638 2803796 eicosadienoate 437813 653778 3561393 403944 122336 6320503 1152242 6843179 1401529 2259940 1051153 992371 533373 230726 3267875 387278 1337722 7019457 774067 2584845 789315 3443518 810022 1467814 638347 220746 1634272 583370 1639182 1212902 431842 3894684 6421778 613539 1516265 9746513 7794968 7752007 454868 252569 736228 204990 3177766 20101529 289749 167814 4861104 2116808 305085 6494351 549830 3480653 1364130 1089813 390320 6005476 202449 5799995 337791 875315 1015567 6711478 222152 2852143 210913 1966210 295160 852012 639725 274328 1273604 4629654 8869758 1018724 348948 3442680 196222 1949600 136392 8465197 485769 1100549 706001 7190289 1071367 576146 1394330 565325 279609 4172688 2915653 3136675 393920 473631 4516402 1914231 2256774 5386644 840839 97873 5122218 167578 4055276 403796 9448597 7168954 2121544 87119 249286 661680 505144 3082958 3077201 1437826 3809093 1770618 322339 1176981 240323 444723 250623 1887543 4844938 726827 533689 3265961 10955407 476062 2417526 467789 2284426 3864618 811950 521988 664756 1200316 1827136 2233608 1464908 177398 213634 1100793 237669 502362 9843433 7435843 673897 3830429 204266 4919924 1402153 1339156 792935 3537660 3226289 4296712 760209 391790 3116758 2634591 2814443 671743 2111621 120414 778669 225458 230342 1049489 810368 6915707 3691827 1674944 2254678 1608135 755766 1029136 903002 3066529 6683932 262023 1981369 1365719 5024355 712807 1100144 215339 1311468 468591 5089228 930921 249865 550372 eicosenoate 621718 1132893 3755419 690248 383574 6754591 1261050 6032330 829598 3142081 1224146 622566 676075 570611 3401296 478292 1960517 8133713 1255737 3027090 834041 3931020 810023 2456350 742849 1420736 3364325 1604634 2224713 1778124 1007878 4740752 7453175 681841 2012606 2417085 7137990 6549305 815426 453868 817239 396055 3732961 11747081 577419 633247 3134635 1840105 891035 6713408 783187 3269631 1859650 1595827 430006 5513621 553425 5265133 795225 528213 743176 5572628 503007 3370514 891652 2102063 1183314 1082543 1576759 415960 2122978 3779818 7877004 1203492 582961 3768239 497896 2152898 326284 6693410 1604840 1485103 1082723 5563869 1090993 974368 1504961 666322 495486 4006955 2233283 2405820 731017 722568 3519488 1781151 2845787 3101981 824549 262647 5105019 605424 4056686 614311 6526525 6589887 2277948 467020 455120 867961 861394 2516417 2878285 2010945 3106967 1634123 673699 1424856 509614 1550946 664310 1164428 4929732 742987 935330 3009809 7494288 593601 2644373 557644 1214162 3158591 1150778 614701 831129 3083839 2522065 2359537 1164900 850813 582955 1004349 901386 838858 7263550 7032177 745363 4774110 363763 2375805 668407 1844411 1078139 4741664 3510104 4347613 980515 885225 3387408 2749249 3569353 958084 2752736 421076 1362019 500838 1237323 1378797 564230 4870457 3349863 935949 3988218 2621009 377179 1032667 900869 3488495 8211669 623875 2763417 1457564 4166673 1084711 690015 677311 1471110 1123937 4738742 929577 345890 528582 arachidate 247837 59888 146789 180244 185061 137329 236231 35158 41561 46403 69211 46581 26706 134001 44590 82685 177254 114111 151824 14596 175012 126812 107468 138562 132106 549689 64276 245474 189874 175371 537608 98164 97476 137811 187500 83397 259267 124470 117918 324826 436624 115244 94277 95305 149955 177659 55188 86803 283615 88229 116760 172001 118618 44922 282535 167741 264228 67678 327042 177503 128748 185610 67502 123500 289259 140441 357323 115193 550409 408558 694359 98248 41653 217130 165578 31194 202204 244156 275987 265773 572283 126987 98865 47753 116172 337801 810827 220402 125221 126343 85287 85540 217402 335326 63055 107317 125886 19405 87482 42972 55598 199285 44357 219899 42643 27939 158146 261430 40660 209599 232266 81060 179123 93428 69123 231014 222251 183239 41400 226414 243045 157666 29503 214672 228330 53019 79964 327285 108736 269480 398745 85876 48834 112742 101658 147561 93633 474993 216436 299588 537552 142275 201807 193749 96563 67386 299882 23943 348010 25004 105509 141160 205402 127728 235326 14148 40459 346413 96120 78123 451129 254140 194515 173028 178198 127234 624856 223508 105068 56816 36122 170639 215708 293446 151846 109883 221121 278996 632083 46921 112065 39791 54738 200400 101992 746318 165626 409975 65972 198063 297768 202340 phytanate 16100 76039 184712 65438 157799 307109 245066 614417 832685 204300 121980 207541 3269 209340 331538 139711 184855 645283 40895 295975 490586 408352 504247 176199 508922 654935 31993 66594 36707 73291 29082 142200 267241 171994 57754 353584 318719 346144 327348 8922 27766 198659 362384 699252 345369 217362 308186 259565 129412 671325 365137 193073 180038 56467 4683 290114 103244 103699 95233 30808 229670 590207 103231 347906 13759 39901 339006 119213 85226 34805 125783 660714 584886 87486 245720 211649 440835 58204 135892 760170 116856 67461 92843 824324 35916 110935 24874 46050 156891 221012 488693 340733 153129 135251 426776 415998 354436 467342 58403 250582 536263 602596 162990 271625 639009 386446 286944 368563 132710 20410 525330 85924 100385 46488 165656 159523 299360 58512 272614 24766 188912 54472 270524 237754 34257 191223 497759 89928 349639 357887 563792 274964 16453 234404 200621 56852 47846 92208 115230 109004 9980 62999 111610 14994 375692 330485 77385 69660 106496 183200 221586 82398 255375 289451 214654 246946 143510 349944 105426 129784 273606 458886 363634 320148 87914 146839 7716 68719 184762 671230 353411 168212 137872 204970 103037 68185 30887 243727 613756 162566 154660 150899 295638 66446 551528 38333 64904 374588 439283 54199 5179 280413 docosahexaenoate 2778163 158871 7448465 300845 29675 10231698 1341153 12687426 174266 9031411 4914321 230620 2605772 217792 8774843 840207 3918080 12545978 1688690 5174308 84103 9961742 111124 5328512 507172 35833 2467600 1227315 4083037 3371134 1641068 9490375 8179888 116404 3254391 7478011 15783644 17318500 222398 2176861 5415112 213791 5611233 32430212 212675 209294 6092374 2299628 52577 10010115 123615 7866074 4020713 2390533 1617551 11448241 125616 10264512 84930 3523087 371359 13239722 243161 8275232 930543 12602459 328984 173940 720400 264436 6271379 13979041 15708368 3903176 291628 10327946 117716 9854266 119885 21469832 55053 4041245 1385926 22446824 2773108 159794 5025774 510923 247735 9488792 816956 16343216 188970 70241 11156585 4136706 3698673 11011735 5778254 157380 9627536 92500 14790447 248853 23053148 20734986 10301038 161707 101844 420471 265551 6969401 6221879 2633386 10278518 5100929 84995 5101228 81389 1591947 227565 2489219 6086825 167414 2318116 4010811 18846508 1793337 9414365 450090 279280 10429387 1475111 108039 101132 1830259 4877444 3454775 3067750 43104 456633 2801025 114529 2402596 11133824 10726280 227622 8316753 87173 506342 786018 6810186 271537 9881385 7284956 7381350 2861661 85184 11132854 7489031 9056046 690399 2158283 82106 2722545 89998 782153 2084670 322871 16640611 10926411 161320 9905692 2835783 362187 6005828 4225062 8960854 20310921 119521 5604880 459024 13663520 3173977 86236 478527 4619028 48383 11309711 4817079 2917024 215602 docosapentaenoate 430027 3052558 2896642 314115 17178 3833525 6527799 6090537 472305 2352486 933290 281000 564224 368870 2931808 1766505 819165 5703286 473551 1928073 54116 3095626 64771 1526589 342978 20454 633189 716943 1191974 982635 243732 2202869 2972999 101859 1124779 13340114 7035452 8426656 117656 252103 751387 45518 2077144 20045046 70116 64700 5296843 5816684 62469 5158564 54731 2697950 962296 2818238 245233 4386598 42137 4198845 32030 763890 109189 5575336 56413 2622703 126759 2143241 1015234 5837152 2108614 59300 1850524 5581875 7458899 955804 51855 2449582 16336 1783464 29926 8741218 14836 2269936 5339479 7992465 821431 380473 724794 1974447 89496 2916315 10964287 4956581 123077 94479 3494467 7991404 1354064 4003897 1631866 46869 4721861 37097 5270039 138564 11431116 9580197 2950661 39206 33779 3975840 138943 1349933 1268586 516043 3705783 1005394 48604 1238154 24245 567320 258507 2081399 2231753 434002 400153 2546907 10320424 253636 2366910 154448 282606 3234374 1403439 65064 45362 610082 935558 710375 943477 18266 121148 730229 40318 436988 5406303 6183649 329325 2900468 50099 5699419 2131585 1391293 512409 3630849 2608879 2616437 921462 33514 5072075 2611544 4746004 812540 929368 15885 491866 36350 129393 620922 2118910 8665543 3988099 349209 3707493 2104678 499425 1611345 762386 4574531 10681744 67270 1444233 154449 5368796 514618 1514144 169063 822437 37386 3306521 873358 243885 985160 adrenate 122701 275460 1456041 140808 11837 3297526 552154 2873080 631638 703453 149682 365460 498961 129986 2148546 326517 476184 4218442 114337 859571 175006 1770280 126342 572627 351371 20737 267064 214294 550425 251495 69606 1369081 2920844 147675 420898 13960437 5012371 4980269 152522 48500 210640 64484 1151818 8919924 65733 61737 926681 875483 69682 2877931 130485 1220562 417933 426853 106444 3131765 46442 2323602 35798 427603 170386 3125953 61454 1106392 46933 617717 185548 366588 356202 6617 429029 1597599 4556163 215791 80870 1283617 30476 663263 20935 3577385 9807 180738 219851 2574640 264824 223730 432196 544502 73589 1759598 1336487 1804825 136995 84274 2322567 1227090 844486 871451 538055 22403 2722113 24738 1393779 69014 3979190 2731499 785113 17570 68572 225164 126060 556595 1094705 305178 1579290 660218 60461 761464 33725 179705 101859 391911 1676262 377215 142283 658678 5127941 66255 788103 79537 790456 2105299 453801 116945 167191 190945 426023 550392 580753 28263 81020 313004 37280 169819 3387956 3066801 294851 1199805 48676 1193964 1032575 554052 462495 1314283 1297446 1799488 189461 61702 1061297 998350 1320306 374639 720881 18133 237807 55647 63999 452951 394663 5274493 1751275 533660 1404134 921045 166688 370787 317707 1342679 4294781 59921 501414 1239802 2913113 430032 613985 175333 487290 72509 2370864 260075 81505 302534 13-docosenoate 272654 56028 1434917 96527 117162 2918354 399149 2048214 106482 946449 710382 51344 24657 76510 844529 111888 453047 2935702 858457 713677 85429 854611 92322 406347 114731 600227 1241282 1168415 958616 365111 729737 2625956 2620288 118161 737072 727887 2549484 1481911 80781 237054 411060 52214 1594290 4291211 124071 78235 470179 709732 110898 1386258 76942 777368 446750 332947 209798 1622159 128912 1743455 202094 215399 109079 1744307 44816 1086348 101303 695786 145368 145061 582684 74380 1054303 1181851 2218369 609091 138666 825510 136508 545719 125066 2031860 388886 314337 378435 1761296 319884 276123 506052 214215 66403 869105 686991 762866 89661 131046 1134429 593819 489940 130379 52859 13601 1233097 48368 1967165 134102 2031062 3096470 617014 99978 22424 295090 80040 417518 1246970 875739 842494 547359 50469 208448 17732 142788 102977 302959 1712917 78306 302788 927277 1427539 331974 755192 150764 191339 803937 289856 91993 74014 775678 1200614 839752 386294 116598 84978 190695 103404 92939 1686480 1685062 122796 1135800 97391 123066 127046 450364 338877 2121486 1152089 1335371 376670 223807 1481640 1414765 1281672 551205 1131886 83948 206103 95968 78748 419565 58101 1384887 1116060 150276 602743 989569 71866 82921 148795 860784 2632039 10630 853976 350984 1250805 293025 68180 207251 437835 68083 1133153 248581 88925 43807 eicosanedioate 74 709 355 1168 124 47 152 741 89 56 864 172 206 45 713 119 178 158 160 1214 86 420 44 1134 666 42 290 48 103 83 313 1548 1256 49 289 1305 402 245 2332 101 875 1344 49 50 1152 308 4892 157 349 98 383 173 804 189 894 462 2077 336 667 964 148 734 527 353 375 234 251 407 846 196 2910 305 1645 297 2626 302 266 218 165 450 90 614 595 334 370 123 828 292 61 80 82 315 550 1229 155 2603 44 612 338 134 49 3138 2663 328 4772 219 114 187 947 134 1505 475 458 216 147 1409 80 204 215 179 173 486 2616 215 171 638 675 120 87 168 58 1136 728 65 878 166 150 107 1225 733 98 1458 115 635 105 61 113 373 752 198 349 173 450 197 5768 120 1584 566 109 1599 97 40 563 99 218 393 135 83 125 154 1279 158 430 192 585 98 85 932 150 63 289 367 oleanate 1018547 411130 278985 459598 1852951 204 2507198 1277719 30974 1244179 729054 553378 159564 1712944 1872399 529012 229849 1135324 210 382944 482585 388900 107 860404 2 37 2836145 276215 22 1116 1820562 798578 73 16 1073511 178927 1476782 86 555530 83404 143563 916595 135891 61505 625349 2344700 680181 524586 20951 193583 985517 73285 69961 11 1806 244571 1422345 1189482 59 1318569 2518204 70833 1015713 786 135969 548752 79 1068260 1279617 24433 24680 456344 1089060 291612 348295 168 252079 3666331 753 305083 88292 4275380 2500 1245468 76 1056626 141 404352 3169673 607 83 262727 1084582 169 1027946 619673 174456 403280 5916 67841 12740 45 1698698 22 89355 498576 7256 58 464467 81346 498286 masilinate 111014 21641 56058 29794 42288 407663 3854 12846 177014 10762 45452 41811 15937 254100 21537 9695 7903 43 44933 95579 13004 46 215866 621257 15190 912685 34923 8 7041 2486 210 265372 147843 4013 19362 149779 11658 3544 13123 269821 207909 85749 110 5418 3373 83758 2 582 533 60446 28855 2 45 284 115 43419 83924 58559 58 25212 654121 31659 43463 717 32748 132743 29379 196 43 30211 10542 375 108730 52863 81223 24506 13 20803 454022 41 42671 122 16631 44810 215 109755 73042 24010 31972 16930 108595 77 204318 127457 214101 30728 23955 39799 36 121024 19708 23202 6356 83 263423 4490 37875 lithocholate 1071 23926 74 1754774 2940891 1868 1226 212 5983946 12234 2009 1772297 1339 919938 760 3427671 4192 931 473 334 2450336 3462 801933 541 1910411 3371954 2810 1159 941 469 129 129 1966987 1105 3344005 2841 837 2517620 2152 830 3198695 6949 1343 1910767 3351103 5320 2421 1630382 1515 5516454 10573 2499 7353 226 954 2903254 2065 1623886 1732 5144111 9111 2128702 2830 858 145 3419178 12650 1741 794032 466 519 2255 328 1265068 4486 3822274 7524 1810340 1375 3461524 4754 12178 858 320 2893393 2078 1828 1172924 1497 10029 591 3293681 2144478 2496 1619 2180 263158 22576 3043369 2968 4262479 5240 2465635 2113 925 680 1353203 3250005 6941 4459481 2419 1755 691 591 274 3328351 3430 2772712 3808 3122066 4278 1000 2081789 4950 2681 318 78 646 45555 165367 47 210 5225318 2444344 4211 1891 823 682 956915 1684 1859 2623901 2224 1243 470 3006774 2079 586243 3097 3970827 5924 2119837 2747 1472 789 1413547 1995955 971 408 861 2436625 2216 1912108 7395 3833103 5802 1345 3536018 5333 1547 2847231 3607 949 2402458 2590 675 6170 252 2710921 2920 9771 430 1457 3152639 5032 862 3018607 2390 758 4239 3044713 chenodeoxycholate 550767 149994 127047 484482 249146 80005 241256 237964 516515 1286482 576649 302926 1043578 3023164 1313150 235757 95420 830428 2285987 170837 123622 1603081 45660 1016282 150307 166154 2869654 1229579 2522418 1076878 1387289 2330881 403853 282624 753935 303332 398275 1209524 210074 706059 635789 195849 365154 274775 208668 1264348 773477 815011 118061 2907522 415867 1177378 394736 1201342 177083 1030944 287560 811094 125845 759941 493301 795744 317909 2029574 1053041 1246454 185502 185263 503401 2798881 57325 399473 500142 5093337 103543 1490419 409134 2081606 226846 609106 353758 723887 1695993 606038 586706 106395 1488529 976312 111512 2669472 241657 576990 145911 64394 3623601 881814 151616 3677034 1259389 453720 193469 277352 2384131 200833 520421 1946844 3212721 147745 1686247 1050403 417292 3597930 300389 589325 1318434 345894 306834 4663220 415961 2928581 179415 404370 175830 141555 421890 338816 1841732 682141 1123585 10347 50920 80295 1012940 618549 207175 1127518 2422018 987267 300245 123272 1077096 243918 232362 4552777 458790 2106131 314873 5012897 254425 337014 120464 374470 78473 1260804 864583 275981 1302484 188754 246719 309533 269916 89401 133913 388965 525092 458777 2091845 500026 190550 766363 931843 221375 822864 1877476 162614 3476477 299129 94321 76835 379071 673660 550301 815431 4889571 224508 1645863 1125723 451711 1062159 1599089 330886 361346 deoxycholate 4914 6338 805 12172506 14315393 4735 2486 1701 22191507 20767 4595 8939585 8753 15253987 14936 17649940 11195 11839 16217 2129 5884110 18154 712148 5036 2661236 9466602 20639 10758 15309 4948 8172 12630 1526 8827698 4209 9741058 4981 7001 13526103 7741 5585 12754589 9012 5370 11828603 18774836 12494 7886 3340612 22639 17059094 16226 5742 28620 2110 7192 11320470 6601 6458424 6190 22409261 17199 13855281 16395 9272 7460 13935516 11759 5659 14012490 7215 5066 6495 41804 4586434 10234 12018557 16320 10603003 5520 17244644 9559 11676 5010 3300 15822839 11034 10221 5940847 23397 5851 3184 14443808 13371484 28806 5138 1692 61336 12868 13859440 3460 16165639 18650 9629207 4928 11759 21693 4917578 21513944 21934 10053301 47238 3839 4923 9242 2369 17357114 56224 12628431 26929 21968762 9379 3119 12316291 5689 4090 12007 2803 4701 88192 146508 515 3829 23798077 14344683 12257 18559 7959 4770 4677398 6974 6770 10243353 49330 3370 12725 14873391 61960 5889151 6976 15341748 8385 10269148 9136 5896 1900 6649506 9315862 3673 2303 3153 9257641 3223 9861474 7704 22021882 28303 7121 15731778 10274 6991 16634273 12640 11210 16058932 39566 5342 2129 1511 14813324 6455 11039 4946 58639 16995525 6322546 9069 16595110 10499 9050 3811 23193399 hyodeoxycholate/ursodeoxycholate 142524 409906 34736 538454 926637 1130 252416 3733 1108580 13558 7450 920009 87813 1930709 4930 741693 645 1019 16950 8611 234376 5976 67609 3399 316182 403434 4892 666546 14314 489 2632 3244 6593 657768 1165 868433 1419 6845 485998 12224 2727 273946 11115 1935 503212 1063918 6105 180031 341366 13386 806476 11570 2031 17755 1184 22437 352240 6617 352673 10719 1218103 4845 930516 6799 6078 1088 518490 341896 879493 234263 149 3772 21854 33415 188259 15432 726784 7357 699748 3606 936214 9724 35530 1936 8566 238374 44921 29527 265510 49577 33734 13631 184619 298652 26037 11167 7708 198606 53078 1321636 9836 817013 4174 526361 3853 7332 5825 495501 3369308 29523 939262 70756 1467 2411 30200 4322 557814 430071 1089910 27488 558510 154596 11515 388176 152444 48527 4173 1469 9471 12271 94286 201637 1242720 499600 13670 11470 4614 16824 443717 15666 81408 529425 450495 15565 16408 421926 365086 387409 404554 245199 2782 134267 1588 6070 5190 342409 511174 102 545 170365 3496 780530 19852 1359934 26510 1941 351154 1692 2710 338276 4914 349306 525587 79513 2375 2524 567 860306 9091 14705 2713 110187 380943 14733 44958 560584 118273 53796 10136 1237923 ketodeoxycholate 152042 5380980 220151 126345 70475 15409 313622 4794 59786 168341 513767 62529 12097054 5384043 44951 214320 1293531 15820 497053 4286434 38518 756465 25915 891082 176644 83739 104330 1956125 191243 7681 1528455 68042 527647 192176 130756 113378 57530 3327320 93546 1873832 2934210 158375 20264 57145 208048 284421 392236 568116 30766 4432246 151354 2022837 6661611 5064701 4117850 9209960 71406 1596772 65043 6367919 110659 4889 143768 14937 894759 35292 228981 2681312 899433 936383 86129 600889 6048443 6397907 170012 3204250 473543 2491459 50476 154445 165722 2602315 8908658 868689 9356280 95676 1290263 4375870 176036 1354877 15348168 6933363 75824 67607 4510560 5037926 5843972 7847370 5175863 338014 3094527 154939 9051357 173452 41919 93333 111209 158541 445561 1678348 216743 7751153 7496 108947 4044736 636387 47857 4915559 179564 3449055 143900 468950 480747 110235 401761 119800 310547 1292436 1366096 30120 11160 12395 1079650 67798 124619 905995 296384 71708 6635515 45214 4585574 3268127 43368 3112065 112490 1386848 116573 1896754 124804 2047601 136066 7679906 207184 1286554 342286 1617081 3219477 82761 3456 29877 422910 113067 15739630 152136 4181110 227611 1469013 9540311 137839 25753 38225 350810 76458 461711 269606 9297685 10271760 1385124 113081 280260 3628375 13415212 512535 11001661 125470 83775 664106 107053 1666750 1425977 1713431 501986 cholate 4672114 1926326 3160678 957033 220956 667210 2299530 1967906 322720 9785146 9108028 302225 6354747 14328479 8124705 1106443 706827 6799089 7700766 1639032 174471 7118319 203618 7853023 415056 309388 13158429 7046753 16898598 2567574 11639811 10652643 3577814 440588 5312626 275785 4153099 11580004 713894 8732252 9543650 790655 3251988 2998836 698252 5807632 9545687 10766086 298833 13398942 746683 8550845 6946090 14683996 4390508 12340775 399969 8294325 126004 16085174 831859 322172 649420 1393354 7977885 10144865 908023 4507574 3408433 7644669 4791023 5100335 17567869 23503827 362809 14410266 586252 17245364 385611 2685182 586092 4878372 9386256 8386893 3161565 624003 4683691 10590645 1082025 12985440 9336872 10215151 507268 444932 11385565 11092623 10918859 14218081 12152703 1503741 7009641 466529 11216550 419428 6684351 10389408 15284891 267667 1410536 5444862 386681 16158742 2074807 10446112 10356534 2701983 504501 9759024 829852 8791622 1079735 9664249 7188614 548414 6104825 5136932 22585599 10228116 8922177 250753 72770 3859372 5997289 539591 560551 10292972 15780234 14262230 9469890 383970 9015507 7514336 303242 17133957 9618748 14206408 509254 16947628 525846 7325892 1009913 6014981 940105 12412890 4316139 3089342 7037408 982489 2296814 4143075 3408797 522389 6093750 372837 7618499 696038 7983380 16485318 552987 6697710 8550080 1574492 10211794 8188663 895058 11599777 7851671 1715575 962041 822642 4371417 15609452 8818268 16225104 828549 16030126 5209183 731933 12700069 7162366 2763937 993033 glycochenodeoxycholate 835 5944 135 14116 47686 743 8749 377 13187 1507 7344 4504 44018 14945 10408 71924 23139 10431 36188 2639 41257 4297 7806 23855 6835 57133 18312 4283 21883 116792 1146 12509 1216 5916 11878 21682 364 871 4630 80106 6608 4074 59 1559 8101 133927 757 960 4987 39702 116207 298800 75910 11968 4974 9151 130160 191285 6544 3810 24155 1320872 8426 5264804 26973 47380 230964 7603 429 382233 2290 19512 516 52582 1042 15415 18744 4361 211 206 935 47 1656 584 18700 106986 4231 5957 2245 28244 5601 22974 27191 2315 44871 70460 946 4806 2054 7444 461 18615 4908 36139 3085 8688 292617 2617 6517 2112 9464 31 47622 1492 22624 519815 15285 541214 14520 7470 65972 5613 11780 1627 595 30742 276776 13608 4975 31804 135683 14328 11724 4134 2823 19024 1248 22437 75713 13145 30508 192887 46428 547 1318 11840 9835 97604 5312 7150 1495 3513 3856 10660 2921 9964 3514 809545 554306 14954 3535 41416 4486 63982 20337 841389 715010 16081 13574 17225 163784 21249 7178 27457 14022 360 857 8984 3790 1481 14794 5707 50673 175337 3054 615960 606561 2219 40706 25169 glycodeoxycholate 1740 14836 136348 42 126509 12359 2 13681 197 97587 1 6775 1012 6545 52869 222 15377 27992 16321 16949 245 47529 196055 8 6 1050 303 164822 51 23 100879 2745 13 81146 5290 35484 12781 83 67015 2926 1021 839689 276 2649 4697 5155 16920 956 170 8689 69 64 264462 10 9578 317 154 11 106353 6400 3 11 237 957 30 29988 460 78038 6 60448 271 919 4508 18878 79 34598 267 192 804 24863 516 15219 1 95707 4 376 26194 107 6 514 123 5234 5 51017 16130 127 274 40322 267 2255 301964 1127 3 9277 267 80152 371 27312 461 7464 24 1619 1376 5649 192 370 3989 384 33883 1295 93869 500 455 75064 424 225993 78 37578 2 423 22423 1401 12 601 105352 168269 3 1130707 109 95727 glycocholate 33711 5819 8536 846549 1261673 33975 14232 99768 195475 278767 1078836 485203 812904 312639 2022166 2612035 17964368 1443283 323929 65586 2486002 996698 1265711 1164096 937620 2235974 946405 297646 4685280 1442764 219948 396572 96004 291979 391998 982870 236936 127962 409919 32683190 1529140 134088 678529 763822 3599077 212023 392081 456341 1511796 1835658 8986700 26304393 395226 14920404 563769 2606046 74738428 370388 686958 2186296 180832374 733645 110973468 748183 12882543 19198016 325695 59910 67319772 706965 3144950 122744 4579695 57488 343454 1037100 270935 22325 148730 17223 20199 261144 271604 891683 4822108 358390 439824 177562 5383742 91955 586393 3277319 109720 1984977 967643 82951 162243 108648 734077 215564 744471 885817 1962916 1208962 1986383 55650965 350318 94079 70825 330164 36204 69912888 43550 1614760 191872831 275510 140647285 2203080 464281 3680768 167956 553548 87147 13306957 74364045 1391391 1074025 1605824 100676676 262870 243603 291763 155470 122862 73504 7131640 9583046 691083 921696 3437538 3110996 112654 1178186 255976 1568937 1394515 147219 121353 554657 89480 1180643 490790 123546 339363 196117 38393103 58945119 11573264 176421 4993303 496113 321514 1455874 9166057 27083442 669733 8280140 1083352 28036051 2318998 210080 2458334 420611 214829 108600 144555 433249 623389 173523 2092090 801099 2054955 23966727 1015034 12130384 306077061 145181 1907319 1999395 taurolithocholate 1517 2340 1345 2466 4081 1735 1002 1492 1432 1483 1671 1985 936 1972 1118 6389 1508 2058 980 754 4380 1578 2425 1087 32064 6408 1160 649 1554 1638 958 886 1245 2017 1464 2581 820 1252 1788 1187 1149 2915 1025 2264 23703 3740 805 845 1867 3233 2501 2720 1218 747 1770 1285 18295 1070 1844 1123 2891 2228 1422 1135 2006 3784 9350 5101 1876 3448 1548 1534 1353 1037 4693 652 3872 1094 1014 669 1058 1409 1148 1104 1365 2960 1672 933 2041 4433 1274 825 2661 1923 2065 1238 1076 311 992 4064 991 1222 1081 1075 2327 1610 2112 1383 4277 902 3098 702 5348 1366 1427 4866 1457 2920 541 294 1032 1013 1055 6190 705 758 2641 1038 904 1127 3525 5604 843 2478 880 1717 1801 1431 2949 2264 2526 3438 1317 3590 951 833 7071 809 36734 1729 5879 1137 2511 1161 611 438 11877 4254 5969 15757 1608 2882 3173 2437 3302 3142 2607 3093 8812 5933 1532 3998 1398 1194 48283 2049 1453 1393 1251 3183 1662 1169 1908 1038 55988 4347 1240 10367 7581 1504 1639 11690 taurochenodeoxycholate 11347 6368 3405 46935 10585 7794 18387 7693 6215 42531 48331 12381 7074187 4766 2980321 22075 12971223 2695198 102167 10402 24642 35149 12882 67552 51119 16979 78280 22040 710076 5161990 12608 62855 29949 8447 38089 10754 28828 28080 8011 6165659 146012 7605 13613 177127 33910 100697 23673 15759 17396 1234913 17348 6113726 40875 60090 11619729 89619 32992 2213119 9770 570728 9579 815615 12081 1423366 906521 45802514 37255 68038 15485 137260 14679 2206716 3749 392938 52313 53198 21361 42885 5197 16684 7130 8136 24410 18280 77471 14114 183469 43889 18909 4577799 33402 148932 14423 19264 1538014 261399 9779 54876 12490 21747 13974 15773 44724 19516 444376 295165 37214934 17515 20647 22497 13274 152500 14563996 29568 643848 17478975 10084 7411427 16674 54535 23852 23091 13724 22275 26673 26658 5045332 5398807 102612 12757 15715 15334134 36831 10792 8144 32450 95172 10638 100153 7145 114264 181603 5739 227354 24430 28007 8404 57172 398287 73659 13376 48157 23648 216774 41672 25340 14577232 23270 105749249 26702595 72556564 11805 84845 11745 154258 13662 1561700 1761321 21109 6994574 3841654 177755 505579 47595 64818 96102 20666 22230 10968 8080 23098 6223 62303 31538 20082 455855 693042 77339 21141721 12258 68033 21166 taurodeoxycholate 32959 46391 12830 47082 19148 9601 40767 20931 12104 58390 73639 18142 77785 3506 103494 13593 262113 73945 8763 46524 8784 71968 6398 68564 83591 33410 101247 25341 268644 90158 7690 36806 65476 5854 53211 5931 33064 62184 24712 57233 100457 13725 43869 23780 208138 394539 116442 49439 6269 74175 12710 160503 71861 121255 102618 168310 73757 79191 7814 116975 12901 122563 25040 303542 19799 393778 83440 254852 28127 28289341 42273 295040 7691 46562 19711 21421 17692 30959 7954 49695 7036 22848 28584 46169 70245 16237 61205 31298 34168 239632 143802 276857 19747 111970 151592 136849 9738 24859 11497 26260 7526 18289 44426 18223 34775 115608 279065 11003 15521 31622 12832 533288 195972 73857 85855 208086 8011 76832 18653 37177 26496 44572 55894 34351 27245 81640 64376 54163 22136 6852 7991 136250 46973 8766 7336 66798 187308 54269 157397 5459 14999 116632 20412 59891 49535 31183 70007 100142 1657158 219761 10500 79727 19112 5853 44980 28865 378458 21776 599301 232674 661965 8249 115736 19671 143931 20927 24642 105766 26552 153029 79064 134996 70062 14980 714451 56573 27967 39941 16890 23760 4779 9224 114637 7060 385971 204803 62142 485271 162338 19770 15479 111789 taurohyodeoxycholate/tauroursodeoxycholate 1080 2541 7957 1216 498 3349 5634 57277 77 92087 15011 94 197542 1414 288544 2723 29336 5242 5838 4345 351 330 21671 3614 209 719 3015 16683 6899 171 726 188 493 22 79 370 116698 464 534 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5092 3866 4021 6846 2650 2184 2888 2759 3929 4517 30697 6631 11789 8073 1982 5648 6244 4707 10250 7654 5157 3788 5038 15209 4093 7838 12761 8444 3620 4287 2294 3392 7721 6015 11102 2718 2177 5614 6929 6099 4718 4507 5079 5935 2420 6501 2319 4102 4752 7720 36606 6927 4328 2584 3519 11125 3241 7351 5602 5409 2232 23507 4318 5811 5926 10245 30327 7104 5723 4531 6244 12104 10428 5800 4348 8800 3497 4005 5031 5877 21011 3047 8843 6039 22469 2930 4551 15007 2393 4958 6276 fructose/glucose/galactose 1047464 770812 1001918 122620 133572 857685 3403972 573370 272849 779883 847900 184215 859409 1223053 289644 833848 706542 323426 5153828 724064 185268 374593 180028 600165 86686 121707 1460148 587101 390505 990741 2083726 1213785 1099448 155640 1057642 190557 540737 445412 109752 1547255 501694 131780 983073 781678 394824 342991 2793524 1005018 189802 1120062 122979 919124 1124958 734195 1441902 471595 162510 1084618 232666 1909592 157217 867014 145997 583480 1629906 1569646 1075157 746670 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8293 2166 6613 14240 3394 1349 4648 1819 2151 2372 480 15979 2332 2262 8663 2042 4091 2856 2965 1502 2707 4373 4125 6008 2610 2086 11124 1986 5358 5525 6971 7549 1178 2663 1840 6163 2555 4815 4147 6884 1646 1580 2555 8400 3207 1814 4935 2382 4944 7968 4474 9824 17365 4328 9675 8196 9511 17432 1991 19012 1374 7069 8232 6983 1679 3985 30949 5745 16726 4593 5041 12913 4564 15344 33429 2109 5169 3877 2222 3371 2167 6799 11106 3341 5041 2924 5020 1763 3581 3963 4291 2559 4370 9430 885 15351 13226 13170 9382 6045 4055 6085 5024 12989 5735 1176 9345 4180 16476 5057 1204 3455 5506 2082 5819 3433 10737 5927 6552 18271 8308 7997 20628 2463 7050 8167 2734 7216 3726 3810 3032 3350 2313 6789 3365 13256 4630 629 3066 2139 3479 1887 10006 9622 8663 2117 29848 2705 4317 1759 12082 14365 3307 6447 3685 5391 6724 17837 3695 7892 4705 4036 2611 3135 1828 32504 5222 2565 6154 13946 2420 4896 12279 6624 5216 2849 oxypurinol 50357 215234 22872 96788 287288 12548 23477 19742 553712 21746 506651 374964 286425 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28381 102729 4441 49366 30866 60789 3161 3434 1817 268875 17146 102424 44636 46678 137878 6426 2605 151506 2579 78170 508179 30698 367678 38949 2552 1707 5408 230790 34398 2067 3055 9717 17691 315960 54164 722016 60957 131204 147000 33796 15346 3482 35290 7266 844172 46524 67681 14854 5232 2631 26663 6057 645810 15519 11545 42831 59651 2837 44753 3577 1549 144442 89193 porphobilinogen 5487 239432 1477 18081 19391 1416 50313 4107 27260 2677 16171 6527 4605 8310 1259 4874 751 2162 412108 1976 23121 1244 25427 3541 12688 30804 980825 152909 704899 5169 23846 2864 2169 5500 4639 41669 2328 5309 6776 42444 2713 7337 391 1855 3809 26479 10699 18823 14089 1759 38414 2349 1225 1322 4016 5064 1056 14313 31564 32051 737 24661 1649 19122 1980 83461 8230 431 5493 14094 9462 3993 44436 12902 2293 39004 2606 12536 5134 11915 6216 3074 4910 22402 1054 106 6351 680 38778 3415 63406 21730 2654 10977 6194 40753 33385 12054 2344 17401 4782 37901 4983 3781 4569 11217 36866 37346 32483 6863 2124 7222 351 395 20159 1035 12049 16332 29540 7045 19862 3552 7375 2241 17790 5663 54091 24598 2703 738 2498 8060 22193 10581 11121 36835 14086 2501 1302 33194 3776 5212 7057 47911 22937 47888 3959 1465 4169 24611 5437 2622 4308 6271 33871 17401 6460 31606 20271 25586 5764 2448 2654 12771 3681 41348 4210 21104 5267 223 1406 12215 166 57883 2735 5136 7256 49479 5537 71566 5790 9340 8238 10094 pregnenolone sulfate 259654 157504 278433 83047 13973 139371 648703 1438144 14589 4111744 2124367 22758 129762 34846 1228212 25786 360819 789139 94773 281766 14770 276599 33728 441229 48320 33762 775539 165457 585509 304586 146432 1015534 1218899 14103 580350 15376 2108659 3757617 34334 151819 1040250 42752 659556 489963 11455 17186 1152697 402874 26465 2492123 28972 1126479 235400 328706 235115 2384332 4571 943770 3849 450260 2488 2074391 4355 4925618 156817 1729522 65740 3203873 105682 85005 582747 5243031 1753 162957 28718 1945 15889 1232 5159 1472854 3336 506364 498464 2890567 1203817 18931 1519220 596533 71318 2909635 679747 2440518 89095 380630 1634413 803211 4028 35549 6710 4220 5028 9444 248862 4040 1776818 1276025 109936 4336 16122 213439 6052 6520514 2422161 3022167 1156859 1386920 7188 419892 64688 99121 30179 1804409 2917356 433954 291266 5365685 4814264 488571 14454 11040 6986 2385248 306148 6395 42536 1862330 5091652 2022733 2247839 35178 380032 2386057 81383 1342047 374044 420425 10265 286067 30452 372748 17348 435723 11846 2923 316885 472631 169319 2893 1108594 973038 284807 7508 555189 11965 777174 9666 105176 530469 59165 2836486 2019893 45752 1253776 478592 317525 675958 554971 1110193 779552 37533 9015 4960 2435549 25671 96717 18269 2415850 24787 4707487 506118 91644 20074 ribothymidine 48031 16994 40788 12031 12776 12924 43433 11236 22468 3816 62002 13183 69943 31093 11548 15569 83134 13677 16766 12109 35997 4939 29104 12270 12257 14760 1079731 16294 686083 38859 45061 759 3727 16658 19334 50275 3225 43459 10273 31807 8865 11168 6808 13336 8492 21222 69087 147505 12530 60940 38883 76851 26809 4658 62498 23747 10050 27798 15682 250266 37788 5248 25963 25936 22689 10017 33006 294702 58038 9364 61995 52637 66152 213653 20112 79711 25764 15772 18187 24221 17745 40458 39950 13378 7122 17988 22165 15867 15116 54945 240372 36145 25467 19816 14407 81844 148013 27244 16799 13711 162093 30909 44352 25847 9909 20753 30126 19281 25752 75808 68960 232047 25692 20293 30970 10107 24266 72976 23744 89366 22680 118203 35311 28798 136085 101495 3998 39953 15137 14540 19335 8646 25470 63235 26803 7256 10469 2053 219672 50747 86727 352503 29721 354338 79022 47430 29350 52059 6365 178251 44463 35981 25101 8801 8646 26770 83809 10686 20517 39278 16499 5606 141784 24332 61847 24236 64660 66751 12557 16162 25780 20958 43222 58893 8631 144975 96296 33213 15017 13200 7082 10290 8560 62175 16907 68195 108973 32519 142977 108832 81651 16720 nervonic acid 478213 254627 925942 194866 313045 1824410 529168 639380 131850 547938 460226 238023 251545 201417 237849 109424 362267 1262736 552662 204800 258050 521781 240444 283529 474658 302176 486509 1022072 1096747 312562 708846 1852001 1794763 312367 764882 333364 1736373 1318438 339171 328325 861371 343903 862061 2463288 234820 168106 996785 1045697 1236366 1190399 746125 678360 553263 898877 600811 1541899 243831 820144 443090 506685 222304 1751821 181495 723339 305427 1218329 139948 39719 493438 92400 1004563 477603 1315831 435557 312612 825503 254145 1090804 229129 1628929 466481 272700 446153 697790 563606 772113 1079265 421975 337735 1099614 591402 289436 199611 436665 353796 284597 768335 557637 413743 57194 921050 235962 614180 188080 633919 911083 218023 208910 166613 366223 303982 679281 965695 1191494 642111 691673 150816 402060 105938 131664 154140 372514 848325 326100 363018 659001 590775 476190 734582 424125 268671 369990 290988 173318 211523 549869 1138349 972397 218059 421717 106485 66970 312486 45220 1546598 685763 233127 451158 400168 283470 286881 626533 410035 1335472 1065176 718889 87179 465802 945202 901000 903315 528751 388056 290869 90366 246348 95714 201354 328164 495934 347621 627180 404949 941294 258347 772276 636479 972219 2918933 205578 1005247 447752 608269 537422 110411 258216 527577 248339 1142879 196711 183426 493970 acesulfame 697 188 30 8405 1319 8181 170 6988 43 17 11844 16376 64 1335 3673 10454 6661 703 87707 330 1195 75 4489 20 16 18775 730 14611 16 40 1549 2522 462 790003 1991 579238 2871 14 82294 394 679 47 26 35 1036919 3614 4174 281 80947 880 1037 22408 52 26 34865 19012 79 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Compound_ID MZ RT HMDB ID 15R-15-methyl PGA2 QI48892 347.2234 9.54 Internal Standard 15S-15-methyl PGD2 QI46310 365.2339 8.57 Internal Standard 15S-15-methyl PGE1 QI45913 367.2497 8.43 Internal Standard 15S-15-methyl PGE2 QI45594 365.2339 8.32 Internal Standard 15R-15-methyl PGF2a QI45038 367.2495 8.14 Internal Standard 12.13-diHOME QI49741 313.2391 9.95 HMDB04705 9.10-diHOME QI11352 313.2391 10.14 HMDB04704 13-HODE QI13676 295.2283 11.34 HMDB04667 7-HDoHE/8-HDoHE QI14923 343.2285 11.93 HMDB60050 10-HDoHE/14-HDoHE QI14405 343.2285 11.69 HMDB60037 11-HDoHE QI14592 343.2285 11.79 HMDB60040 16-HDoHE/17-HDoHE QI14078 343.2285 11.54 HMDB60047 20-HDoHE QI13724 343.2285 11.36 HMDB60048 5-HETE QI15215 319.2283 12.07 HMDB11134 9-HETE QI14939 319.2284 11.94 HMDB10222 11-HETE QI14381 319.2284 11.68 HMDB04682 12-HETE/8-HETE QI14646 319.2283 11.82 HMDB06111 15-HETE QI14003 319.2284 11.51 HMDB03876 5-HEPE QI13678 317.2127 11.34 HMDB05081 9-HEPE QI13392 317.2127 11.21 HMDB60053 11-HEPE QI12963 317.2127 10.98 HMDB12534 12-HEPE/8-HEPE QI13223 317.2127 11.13 HMDB10202 15-HEPE QI12833 317.2127 10.92 HMDB10209 5.6 diHETE QI13183 335.2236 11.10 NA 8.15 diHETE QI48852 335.2234 9.52 HMDB10219 14.15 diHETE QI49459 335.2236 9.80 HMDB10204 17.18 diHETE QI49182 335.2235 9.69 HMDB10211 5.6 DHET QI13025 337.2392 11.02 HMDB02343 levulinate QI7330 115.0390 1.00 HMDB00720 heptanoate QI44207 129.0910 7.86 HMDB00666 2-hydroxyoctanoate QI40988 159.1017 6.89 HMDB00711 caprate QI12505 171.1383 10.73 HMDB00511 3-hydroxydecanoate QI45971 187.1333 8.46 HMDB02203 3-hydroxyhexanoate QI10630 131.0704 1.74 NA 5-dodecenoate QI13832 197.1541 11.41 HMDB00529 dodecanoate QI15740 199.1698 12.31 HMDB00638 undecanedionate QI42197 215.1286 7.25 HMDB00888 myristoleate QI16471 225.1858 12.66 HMDB02000 myristate QI18823 227.2015 13.71 HMDB00806 dodecanedioate QI44568 229.1444 7.98 HMDB00623 pentadecanoate QI20699 241.2173 14.33 HMDB00826 hydroxymyristate QI15519 243.1966 12.21 HMDB02261 palmitoleate QI19492 253.2175 13.93 HMDB03229 palmitate QI22312 255.2332 14.89 HMDB00220 tetradecanedioate QI48232 257.1760 9.26 HMDB00872 10-heptadecenoate QI21193 267.2333 14.49 HMDB60038 heptadecanoate QI24079 269.2490 15.40 HMDB02259 2-hydroxyhexadecanoate QI18539 271.2284 13.64 NA alpha-linolenate QI18119 277.2177 13.46 HMDB01388 linoleate QI20376 279.2335 14.21 HMDB00673 oleate QI22770 281.2491 15.01 HMDB00207 stearate QI25402 283.2647 15.86 HMDB00827 hexadecanedioate QI12070 285.2075 10.51 HMDB00672 10-nonadecenoate QI24443 295.2646 15.50 HMDB13622 nonadecanoate QI26759 297.2803 16.30 HMDB00772 17-Methylstearate QI26364 297.2803 16.16 HMDB61710 eicosapentaenoate QI17794 301.2178 13.34 HMDB01999 arachidonate QI19794 303.2335 14.04 HMDB01043 eicosatrienoate QI21258 305.2491 14.51 HMDB02925 eicosadienoate QI23340 307.2648 15.17 HMDB05060 eicosenoate QI25559 309.2805 15.90 HMDB02231 arachidate QI28157 311.2961 16.76 HMDB02212 phytanate QI26261 311.2962 16.12 HMDB00801 docosahexaenoate QI19148 327.2337 13.81 HMDB02183 docosapentaenoate QI20268 329.2492 14.18 HMDB01976 adrenate QI22025 331.2649 14.81 HMDB02226 13-docosenoate QI28102 337.3118 16.74 HMDB02068 eicosanedioate QI17039 341.2701 12.96 NA oleanate QI18320 455.3539 13.54 HMDB02364 masilinate QI14039 471.3487 11.52 HMDB02392 lithocholate QI15292 375.2908 12.10 HMDB00761 chenodeoxycholate QI11625 391.2859 10.29 HMDB00518 deoxycholate QI12044 391.2861 10.50 HMDB00626 hyodeoxycholate/ursodeoxycholate QI47737 391.2861 9.07 HMDB00733 ketodeoxycholate QI45377 405.2653 8.25 HMDB00391 cholate QI47415 407.2809 8.96 HMDB00619 glycochenodeoxycholate QI47697 448.3076 9.05 HMDB00637 glycodeoxycholate QI48267 448.3075 9.27 HMDB00631 glycocholate TF01 464.3024 8.01 HMDB00138 taurolithocholate QI48856 482.2955 9.52 HMDB00722 taurochenodeoxycholate QI45239 498.2905 8.20 HMDB00951 taurodeoxycholate QI45856 498.2897 8.41 HMDB00896 taurohyodeoxycholate/tauroursodeoxycholate QI42301 498.2905 7.27 HMDB00874 taurocholate QI42602 514.2850 7.36 HMDB00036 salicylate QI35072 137.0234 3.56 HMDB01895 saccharin QI8289 181.9911 1.11 HMDB29723 sebacate QI39258 201.1128 6.37 HMDB00792 ibuprofen QI11375 205.1230 10.15 HMDB01925 carboxyibuprofen QI40301 235.0976 6.65 NA 4-hydroxystyrene QI34309 119.0491 2.78 HMDB04072 acetyltyrosine QI8482 222.0771 1.14 HMDB00866 carnosol QI12167 329.1764 10.55 HMDB02121 cinnamoylglycine QI34753 204.0662 3.21 HMDB11621 dimethylurate QI7348 195.0518 1.00 HMDB01857 formylmethionine QI8738 176.0379 1.18 HMDB01015 fructose/glucose/galactose QI4312 179.0554 0.78 HMDB00122 N-acetylalanine QI6642 130.0500 0.97 HMDB00766 oxypurinol QI4794 151.0252 0.80 HMDB00786 palmitoylethanolamide QI18016 344.2812 13.42 HMDB02100 phenylacetylglutamine QI10230 263.1042 1.54 HMDB06344 phenyllactate QI33452 165.0549 2.17 HMDB00779 p-hydroxyphenylacetate QI10164 151.0391 1.53 HMDB00020 porphobilinogen QI7091 225.0879 0.98 NA pregnenolone sulfate QI46417 395.1903 8.60 HMDB00774 ribothymidine QI4997 257.0779 0.81 HMDB00884 nervonic acid QI30344 365.3430 17.68 HMDB02368 acesulfame QI7631 161.9858 1.03 HMDB33585 METABOLITES_END #END