#METABOLOMICS WORKBENCH kpaglia_20201023_105859 DATATRACK_ID:2222 STUDY_ID:ST001526 ANALYSIS_ID:AN002547 PROJECT_ID:PR001027 VERSION 1 CREATED_ON November 12, 2020, 11:15 am #PROJECT PR:PROJECT_TITLE Mitochondrial health is enhanced in rats with higher vs. lower intrinsic PR:PROJECT_TITLE exercise capacity and extended lifespan PR:PROJECT_TYPE Untargeted analysis of primary metabolism by GCTOF PR:PROJECT_SUMMARY The intrinsic aerobic capacity of an organism is thought to play a role in aging PR:PROJECT_SUMMARY and longevity. Maximal respiratory rate capacity, a metabolic performance PR:PROJECT_SUMMARY measure, is one of the best predictors of cardiovascular- and all-cause PR:PROJECT_SUMMARY mortality. Rats selectively bred for high-(HCR) vs. low-(LCR) intrinsic PR:PROJECT_SUMMARY running-endurance capacity have up to 31% longer lifespan. We found that PR:PROJECT_SUMMARY positive changes in indices of mitochondrial health in cardiomyocytes PR:PROJECT_SUMMARY (respiratory reserve, maximal respiratory capacity, resistance to mitochondrial PR:PROJECT_SUMMARY permeability transition, autophagy/mitophagy, higher lipids-over-glucose PR:PROJECT_SUMMARY utilization) are uniformly associated with the extended longevity in HCR vs. LCR PR:PROJECT_SUMMARY female rats. Cross-sectional heart metabolomics revealed pathways from lipid PR:PROJECT_SUMMARY metabolism in the heart which were significantly enriched by a select group of PR:PROJECT_SUMMARY strain dependent metabolites, consistent with enhanced lipids utilization by HCR PR:PROJECT_SUMMARY cardiomyocytes. Heart-liver-serum metabolomics further revealed shunting of PR:PROJECT_SUMMARY lipidic substrates between liver and heart via serum during aging. Thus, PR:PROJECT_SUMMARY mitochondrial health in cardiomyocytes is associated with extended longevity in PR:PROJECT_SUMMARY rats with higher intrinsic exercise capacity, and likely these findings can be PR:PROJECT_SUMMARY translated to other populations as predictors of outcomes of health and PR:PROJECT_SUMMARY survival. PR:INSTITUTE National Institute on Aging PR:DEPARTMENT Cardioprotection Section PR:LABORATORY Laboratory of Cardiovascular Science PR:LAST_NAME Sollott PR:FIRST_NAME Steven PR:ADDRESS Laboratory of Cardiovascular Science, National Institute on Aging, NIH, PR:ADDRESS Baltimore, MD 21224, USA PR:EMAIL sollotts@grc.nia.nih.gov PR:PHONE 410-558-8657 PR:FUNDING_SOURCE Intramural Research Program of the National Institutes of Health, National PR:FUNDING_SOURCE Institute on Aging. #STUDY ST:STUDY_TITLE Mitochondrial health is enhanced in rats with higher vs. lower intrinsic ST:STUDY_TITLE exercise capacity and extended lifespan ST:STUDY_SUMMARY The intrinsic aerobic capacity of an organism is thought to play a role in aging ST:STUDY_SUMMARY and longevity. Maximal respiratory rate capacity, a metabolic performance ST:STUDY_SUMMARY measure, is one of the best predictors of cardiovascular- and all-cause ST:STUDY_SUMMARY mortality. Rats selectively bred for high-(HCR) vs. low-(LCR) intrinsic ST:STUDY_SUMMARY running-endurance capacity have up to 31% longer lifespan. We found that ST:STUDY_SUMMARY positive changes in indices of mitochondrial health in cardiomyocytes ST:STUDY_SUMMARY (respiratory reserve, maximal respiratory capacity, resistance to mitochondrial ST:STUDY_SUMMARY permeability transition, autophagy/mitophagy, higher lipids-over-glucose ST:STUDY_SUMMARY utilization) are uniformly associated with the extended longevity in HCR vs. LCR ST:STUDY_SUMMARY female rats. Cross-sectional heart metabolomics revealed pathways from lipid ST:STUDY_SUMMARY metabolism in the heart which were significantly enriched by a select group of ST:STUDY_SUMMARY strain dependent metabolites, consistent with enhanced lipids utilization by HCR ST:STUDY_SUMMARY cardiomyocytes. Heart-liver-serum metabolomics further revealed shunting of ST:STUDY_SUMMARY lipidic substrates between liver and heart via serum during aging. Thus, ST:STUDY_SUMMARY mitochondrial health in cardiomyocytes is associated with extended longevity in ST:STUDY_SUMMARY rats with higher intrinsic exercise capacity, and likely these findings can be ST:STUDY_SUMMARY translated to other populations as predictors of outcomes of health and ST:STUDY_SUMMARY survival. ST:INSTITUTE National Institute on Aging ST:DEPARTMENT Cardioprotection Section ST:LABORATORY Laboratory of Cardiovascular Science ST:LAST_NAME Sollott ST:FIRST_NAME Steven ST:ADDRESS Laboratory of Cardiovascular Science, National Institute on Aging, NIH, ST:ADDRESS Baltimore, MD 21224, USA ST:EMAIL sollotts@grc.nia.nih.gov ST:PHONE 410-558-8657 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Rattus norvegicus SU:TAXONOMY_ID 10116 #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 - Heart HCR18659_018 treatment:HCR | Tissue:heart RAW_FILE_NAME=180529bJWsa10_2 SUBJECT_SAMPLE_FACTORS - Heart HCR18698_017 treatment:HCR | Tissue:heart RAW_FILE_NAME=180529bJWsa11_2 SUBJECT_SAMPLE_FACTORS - Heart HCR18729_016 treatment:HCR | Tissue:heart RAW_FILE_NAME=180529bJWsa12_2 SUBJECT_SAMPLE_FACTORS - Heart HCR18730_015 treatment:HCR | Tissue:heart RAW_FILE_NAME=180529bJWsa20_2 SUBJECT_SAMPLE_FACTORS - Heart HCR18731_014 treatment:HCR | Tissue:heart RAW_FILE_NAME=180529bJWsa22_2 SUBJECT_SAMPLE_FACTORS - Heart LCR28026_013 treatment:LCR | Tissue:heart RAW_FILE_NAME=180529bJWsa06_2 SUBJECT_SAMPLE_FACTORS - Heart LCR28069_012 treatment:LCR | Tissue:heart RAW_FILE_NAME=180529bJWsa08_2 SUBJECT_SAMPLE_FACTORS - Heart LCR28135_010 treatment:LCR | Tissue:heart RAW_FILE_NAME=180529bJWsa13_2 SUBJECT_SAMPLE_FACTORS - Heart LCR28208_011 treatment:LCR | Tissue:heart RAW_FILE_NAME=180529bJWsa27_1 SUBJECT_SAMPLE_FACTORS - Liver HCR18659_009 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa29_1 SUBJECT_SAMPLE_FACTORS - Liver HCR18698_008 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa01_2 SUBJECT_SAMPLE_FACTORS - Liver HCR18729_007 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa05_2 SUBJECT_SAMPLE_FACTORS - Liver HCR18730_006 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa15_2 SUBJECT_SAMPLE_FACTORS - Liver HCR18731_005 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa18_2 SUBJECT_SAMPLE_FACTORS - _001 treatment:LCR | Tissue:liver RAW_FILE_NAME=180529bJWsa30_1 SUBJECT_SAMPLE_FACTORS - _002 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa10_2 SUBJECT_SAMPLE_FACTORS - _003 treatment:LCR | Tissue:liver RAW_FILE_NAME=180529bJWsa14_2 SUBJECT_SAMPLE_FACTORS - Liver LCR28026_004 treatment:LCR | Tissue:liver RAW_FILE_NAME=180529bJWsa26_2 SUBJECT_SAMPLE_FACTORS - Liver LCR28069_003 treatment:LCR | Tissue:liver RAW_FILE_NAME=180529bJWsa03_2 SUBJECT_SAMPLE_FACTORS - Liver LCR28135_001 treatment:LCR | Tissue:liver RAW_FILE_NAME=180529bJWsa19_2 SUBJECT_SAMPLE_FACTORS - Liver LCR28208_002 treatment:LCR | Tissue:liver RAW_FILE_NAME=180529bJWsa24_2 SUBJECT_SAMPLE_FACTORS - _004 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa25_2 SUBJECT_SAMPLE_FACTORS - _005 treatment:HCR | Tissue:liver RAW_FILE_NAME=180529bJWsa04_2 SUBJECT_SAMPLE_FACTORS - MA5-HCR_030 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa09_2 SUBJECT_SAMPLE_FACTORS - MA7-HCR_028 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa21_2 SUBJECT_SAMPLE_FACTORS - MA8-HCR_029 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa23_2 SUBJECT_SAMPLE_FACTORS - Serum HCR18659_027 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa07_2 SUBJECT_SAMPLE_FACTORS - Serum HCR18729_025 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa16_2 SUBJECT_SAMPLE_FACTORS - Serum HCR18730_024 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa17_2 SUBJECT_SAMPLE_FACTORS - Serum HCR18731_023 treatment:HCR | Tissue:serum RAW_FILE_NAME=180529bJWsa28_1 SUBJECT_SAMPLE_FACTORS - SerumHCR18698_026 treatment:HCR | Tissue:serum RAW_FILE_NAME=180531bZKsa11_1 SUBJECT_SAMPLE_FACTORS - _006 treatment:LCR | Tissue:Serum RAW_FILE_NAME=180531bZKsa15_1 SUBJECT_SAMPLE_FACTORS - _007 treatment:control | Tissue:Serum RAW_FILE_NAME=180531bZKsa14_1 SUBJECT_SAMPLE_FACTORS - _008 treatment:control | Tissue:Serum RAW_FILE_NAME=180531bZKsa12_1 SUBJECT_SAMPLE_FACTORS - Serum LCR28026_022 treatment:LCR | Tissue:serum RAW_FILE_NAME=180531bZKsa19_1 SUBJECT_SAMPLE_FACTORS - Serum LCR28069_021 treatment:LCR | Tissue:serum RAW_FILE_NAME=180531bZKsa18_1 SUBJECT_SAMPLE_FACTORS - Serum LCR28135_019 treatment:LCR | Tissue:serum RAW_FILE_NAME=180531bZKsa17_1 SUBJECT_SAMPLE_FACTORS - Serum LCR28208_020 treatment:LCR | Tissue:serum RAW_FILE_NAME=180531bZKsa16_1 SUBJECT_SAMPLE_FACTORS - _009 treatment:control | Tissue:Serum RAW_FILE_NAME=180531bZKsa13_1 SUBJECT_SAMPLE_FACTORS - _010 treatment:control | Tissue:Serum RAW_FILE_NAME=180531bZKsa20_1 SUBJECT_SAMPLE_FACTORS - Heart HCR18730_040 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa27_1 SUBJECT_SAMPLE_FACTORS - Heart LCR28208_039 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa39_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR18866_013 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa06_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR18871_015 treatment:HCR | Tissue:heart RAW_FILE_NAME=190410cadsa14_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR18883_014 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa32_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR18895_016 treatment:HCR | Tissue:heart RAW_FILE_NAME=190410cadsa10_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR18927_017 treatment:HCR | Tissue:heart RAW_FILE_NAME=190410cadsa09_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR18947_018 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa10_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR19139_061 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa33_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR19140_062 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa40_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR19143_063 treatment:HCR | Tissue:heart RAW_FILE_NAME=190410cadsa25_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR19153_060 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa36_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR19157_058 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa11_1 SUBJECT_SAMPLE_FACTORS - HEART_HCR19158_059 treatment:HCR | Tissue:heart RAW_FILE_NAME=190409cadsa29_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR28344_021 treatment:LCR | Tissue:heart RAW_FILE_NAME=190410cadsa21_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR28369_024 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa45_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR28397_023 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa37_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR28404_019 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa07_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR28415_022 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa12_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR28438_020 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa03_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR29029_069 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa05_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR29097_066 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa49_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR29098_065 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa24_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR29099_067 treatment:LCR | Tissue:heart RAW_FILE_NAME=190409cadsa02_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR29200_068 treatment:LCR | Tissue:heart RAW_FILE_NAME=190410cadsa17_1 SUBJECT_SAMPLE_FACTORS - HEART_LCR29203_064 treatment:LCR | Tissue:heart RAW_FILE_NAME=190410cadsa27_1 SUBJECT_SAMPLE_FACTORS - Liver HCR18731_038 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa44_1 SUBJECT_SAMPLE_FACTORS - Liver LCR28135_037 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa17_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR18866_001 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa31_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR18871_003 treatment:HCR | Tissue:liver RAW_FILE_NAME=190410cadsa19_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR18883_002 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa46_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR18895_004 treatment:HCR | Tissue:liver RAW_FILE_NAME=190410cadsa18_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR18927_005 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa08_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR18947_006 treatment:HCR | Tissue:liver RAW_FILE_NAME=190410cadsa08_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR19139_049 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa14_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR19140_050 treatment:HCR | Tissue:liver RAW_FILE_NAME=190410cadsa12_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR19143_051 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa35_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR19153_048 treatment:HCR | Tissue:liver RAW_FILE_NAME=190409cadsa26_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR19157_046 treatment:HCR | Tissue:liver RAW_FILE_NAME=190410cadsa15_1 SUBJECT_SAMPLE_FACTORS - LIVER_HCR19158_047 treatment:HCR | Tissue:liver RAW_FILE_NAME=190410cadsa02_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR28344_009 treatment:LCR | Tissue:liver RAW_FILE_NAME=190410cadsa30_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR28369_012 treatment:LCR | Tissue:liver RAW_FILE_NAME=190410cadsa13_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR28397_011 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa50_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR28404_007 treatment:LCR | Tissue:liver RAW_FILE_NAME=190410cadsa07_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR28415_010 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa01_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR28438_008 treatment:LCR | Tissue:liver RAW_FILE_NAME=190410cadsa23_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR29029_057 treatment:LCR | Tissue:liver RAW_FILE_NAME=190410cadsa20_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR29097_054 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa18_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR29098_053 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa41_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR29099_055 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa19_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR29200_056 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa15_1 SUBJECT_SAMPLE_FACTORS - LIVER_LCR29203_052 treatment:LCR | Tissue:liver RAW_FILE_NAME=190409cadsa04_1 SUBJECT_SAMPLE_FACTORS - Serum HCR18729_042 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa23_1 SUBJECT_SAMPLE_FACTORS - Serum LCR28069_041 treatment:LCR | Tissue:serum RAW_FILE_NAME=190410cadsa22_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR18866_025 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa42_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR18871_027 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa16_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR18883_026 treatment:HCR | Tissue:serum RAW_FILE_NAME=190410cadsa28_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR18895_028 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa28_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR18927_029 treatment:HCR | Tissue:serum RAW_FILE_NAME=190410cadsa06_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR18947_030 treatment:HCR | Tissue:serum RAW_FILE_NAME=190410cadsa04_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR19139_073 treatment:HCR | Tissue:serum RAW_FILE_NAME=190410cadsa01_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR19140_074 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa13_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR19143_075 treatment:HCR | Tissue:serum RAW_FILE_NAME=190410cadsa11_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR19153_072 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa47_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR19157_070 treatment:HCR | Tissue:serum RAW_FILE_NAME=190410cadsa29_1 SUBJECT_SAMPLE_FACTORS - SERUM_HCR19158_071 treatment:HCR | Tissue:serum RAW_FILE_NAME=190409cadsa22_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR28344_033 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa30_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR28369_036 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa48_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR28397_035 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa21_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR28404_031 treatment:LCR | Tissue:serum RAW_FILE_NAME=190410cadsa05_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR28415_034 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa20_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR28438_032 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa25_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR29029_081 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa09_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR29097_078 treatment:LCR | Tissue:serum RAW_FILE_NAME=190410cadsa24_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR29098_077 treatment:LCR | Tissue:serum RAW_FILE_NAME=190410cadsa03_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR29099_079 treatment:LCR | Tissue:serum RAW_FILE_NAME=190410cadsa26_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR29200_080 treatment:LCR | Tissue:serum RAW_FILE_NAME=190410cadsa31_1 SUBJECT_SAMPLE_FACTORS - SERUM_LCR29203_076 treatment:LCR | Tissue:serum RAW_FILE_NAME=190409cadsa43_1 SUBJECT_SAMPLE_FACTORS - Heart Pool 1 treatment:control | Tissue:Heart RAW_FILE_NAME=190409cadsa34_1 SUBJECT_SAMPLE_FACTORS - Heart Pool 2 treatment:control | Tissue:Heart RAW_FILE_NAME=190410cadsa16_1 SUBJECT_SAMPLE_FACTORS - Liver Pool 1 treatment:control | Tissue:Liver RAW_FILE_NAME=190409cadsa38_1 SUBJECT_SAMPLE_FACTORS - Liver Pool 2 treatment:control | Tissue:Liver RAW_FILE_NAME=170807dngsa20_1 SUBJECT_SAMPLE_FACTORS - Serum Pool 4 treatment:control | Tissue:Serum RAW_FILE_NAME=170808dngsa06_1 SUBJECT_SAMPLE_FACTORS - Serum Pool 1 treatment:control | Tissue:Serum RAW_FILE_NAME=170807dngsa47_1 SUBJECT_SAMPLE_FACTORS - Serum Pool 2 treatment:control | Tissue:Serum RAW_FILE_NAME=170807dngsa19_1 SUBJECT_SAMPLE_FACTORS - Serum Pool 3 treatment:control | Tissue:Serum RAW_FILE_NAME=170807dngsa15_1 SUBJECT_SAMPLE_FACTORS - 13-H_031 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa25_1 SUBJECT_SAMPLE_FACTORS - 14-H_032 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa38_1 SUBJECT_SAMPLE_FACTORS - 15-H_033 treatment:control | Tissue:heart RAW_FILE_NAME=170808dngsa03_1 SUBJECT_SAMPLE_FACTORS - 21-H_034 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa24_1 SUBJECT_SAMPLE_FACTORS - 22-H_035 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa03_1 SUBJECT_SAMPLE_FACTORS - 23-H_036 treatment:control | Tissue:heart RAW_FILE_NAME=170808dngsa02_1 SUBJECT_SAMPLE_FACTORS - 24-H_037 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa01_1 SUBJECT_SAMPLE_FACTORS - 25-H_038 treatment:control | Tissue:heart RAW_FILE_NAME=170808dngsa01_1 SUBJECT_SAMPLE_FACTORS - 26-H_039 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa40_3 SUBJECT_SAMPLE_FACTORS - 1-H_027 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa50_1 SUBJECT_SAMPLE_FACTORS - 2-H_028 treatment:control | Tissue:heart RAW_FILE_NAME=170808dngsa08_1 SUBJECT_SAMPLE_FACTORS - 5-H_029 treatment:control | Tissue:heart RAW_FILE_NAME=170807dngsa34_1 SUBJECT_SAMPLE_FACTORS - 6-H_030 treatment:control | Tissue:heart RAW_FILE_NAME=170808dngsa15_1 SUBJECT_SAMPLE_FACTORS - 10-L_008 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa30_1 SUBJECT_SAMPLE_FACTORS - 11-L_009 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa29_1 SUBJECT_SAMPLE_FACTORS - 12-L_010 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa13_1 SUBJECT_SAMPLE_FACTORS - 13-L_011 treatment:control | Tissue:liver RAW_FILE_NAME=170808dngsa07_2 SUBJECT_SAMPLE_FACTORS - 14-L_012 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa28_1 SUBJECT_SAMPLE_FACTORS - 15-L_013 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa35_1 SUBJECT_SAMPLE_FACTORS - 16-L_014 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa10_2 SUBJECT_SAMPLE_FACTORS - 9-L_007 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa22_1 SUBJECT_SAMPLE_FACTORS - 17-L_015 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa37_3 SUBJECT_SAMPLE_FACTORS - 18-L_016 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa42_1 SUBJECT_SAMPLE_FACTORS - 19-L_017 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa17_1 SUBJECT_SAMPLE_FACTORS - 20-L_018 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa11_1 SUBJECT_SAMPLE_FACTORS - 21-L_019 treatment:control | Tissue:liver RAW_FILE_NAME=170808dngsa04_1 SUBJECT_SAMPLE_FACTORS - 22-L_020 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa16_1 SUBJECT_SAMPLE_FACTORS - 23-L_021 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa33_1 SUBJECT_SAMPLE_FACTORS - 24-L_022 treatment:control | Tissue:liver RAW_FILE_NAME=170808dngsa13_1 SUBJECT_SAMPLE_FACTORS - 25-L_023 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa36_1 SUBJECT_SAMPLE_FACTORS - 26-L_024 treatment:control | Tissue:liver RAW_FILE_NAME=170808dngsa12_2 SUBJECT_SAMPLE_FACTORS - 27-L_025 treatment:control | Tissue:liver RAW_FILE_NAME=170808dngsa05_1 SUBJECT_SAMPLE_FACTORS - 28-L_026 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa08_1 SUBJECT_SAMPLE_FACTORS - 1-L_001 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa14_1 SUBJECT_SAMPLE_FACTORS - 2-L_002 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa26_1 SUBJECT_SAMPLE_FACTORS - 3-L_003 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa48_2 SUBJECT_SAMPLE_FACTORS - 4-L_004 treatment:control | Tissue:liver RAW_FILE_NAME=170808dngsa11_3 SUBJECT_SAMPLE_FACTORS - 5-L_005 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa45_3 SUBJECT_SAMPLE_FACTORS - 6-L_006 treatment:control | Tissue:liver RAW_FILE_NAME=170807dngsa12_1 SUBJECT_SAMPLE_FACTORS - C2-HC-1_046 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa49_1 SUBJECT_SAMPLE_FACTORS - C2-HC-2_047 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa44_1 SUBJECT_SAMPLE_FACTORS - HC-4_049 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa31_1 SUBJECT_SAMPLE_FACTORS - HC-5_050 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa05_1 SUBJECT_SAMPLE_FACTORS - HC-6_051 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa39_1 SUBJECT_SAMPLE_FACTORS - HC-7_052 treatment:control | Tissue:serum RAW_FILE_NAME=170808dngsa10_1 SUBJECT_SAMPLE_FACTORS - HC-8_053 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa43_1 SUBJECT_SAMPLE_FACTORS - MA-10_063 treatment:control | Tissue:serum RAW_FILE_NAME=170808dngsa09_1 SUBJECT_SAMPLE_FACTORS - MA-11_064 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa46_1 SUBJECT_SAMPLE_FACTORS - MA-12_065 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa41_1 SUBJECT_SAMPLE_FACTORS - MA-5_058 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa27_1 SUBJECT_SAMPLE_FACTORS - MA-7_060 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa32_1 SUBJECT_SAMPLE_FACTORS - MA-8_061 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa18_2 SUBJECT_SAMPLE_FACTORS - MA-9_062 treatment:control | Tissue:serum RAW_FILE_NAME=170808dngsa14_1 SUBJECT_SAMPLE_FACTORS - Rat 1_040 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa09_1 SUBJECT_SAMPLE_FACTORS - Rat 2_041 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa07_1 SUBJECT_SAMPLE_FACTORS - Rat 3_042 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa23_1 SUBJECT_SAMPLE_FACTORS - Rat 4_043 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa06_1 SUBJECT_SAMPLE_FACTORS - Rat 5_044 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa02_1 SUBJECT_SAMPLE_FACTORS - Rat 6_045 treatment:control | Tissue:serum RAW_FILE_NAME=170807dngsa04_1 #COLLECTION CO:COLLECTION_SUMMARY Samples were flash-frozen. CO:SAMPLE_TYPE Blood;Liver;Heart #TREATMENT TR:TREATMENT_SUMMARY Information not provided. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Extraction of Mammalian Tissue Samples: Lungs/Muscle/Heart 1. References: Fiehn SP:SAMPLEPREP_SUMMARY O, Kind T (2006) Metabolite profiling in blood plasma. In: Metabolomics: Methods SP:SAMPLEPREP_SUMMARY and Protocols. Weckwerth W (ed.), Humana Press, Totowa NJ (in press) 2.Starting SP:SAMPLEPREP_SUMMARY material: Mammalian tissue: Lung/Muscle/Heart: Whole tissue sample is prepared SP:SAMPLEPREP_SUMMARY OR stein mill whole tissue sample and weigh 50mL aliquot. 3. Equipment: SP:SAMPLEPREP_SUMMARY Centrifuge (Eppendorf 5415 D) Calibrated pipettes 1-200μl and 100-1000μl SP:SAMPLEPREP_SUMMARY Eppendorf tubes 2ml, uncoloured (Cat. No. 022363204) Centrifuge tubes, various SP:SAMPLEPREP_SUMMARY sizes, polypropylene Eppendorff Tabletop Centrifuge (Proteomics core Lab.) SP:SAMPLEPREP_SUMMARY ThermoElectron Neslab RTE 740 cooling bath at –20°C MiniVortexer (VWR) SP:SAMPLEPREP_SUMMARY Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific Instruments) SP:SAMPLEPREP_SUMMARY Speed vacuum concentration system (Labconco Centrivap cold trap) Turex mini SP:SAMPLEPREP_SUMMARY homogenizer 4. Chemicals Acetonitrile, LCMS grade (JT Baker; Cat. No.9829-02) SP:SAMPLEPREP_SUMMARY Isopropanol, HPLC grade (JT Baker; Cat. No. 9095-02) Crushed ice pH paper 5-10 SP:SAMPLEPREP_SUMMARY (EMD Chem. Inc.) Nitrogen line with pipette tip 18 MΩ pure water (Millipore) 5. SP:SAMPLEPREP_SUMMARY Procedure Preparation of extraction mix and material before experiment: Switch SP:SAMPLEPREP_SUMMARY on bath to pre-cool at –20°C (±2°C validity temperature range) Check pH of SP:SAMPLEPREP_SUMMARY acetonitrile and isopropanol (pH7) using wetted pH paper Make the extraction SP:SAMPLEPREP_SUMMARY solution by missing acetonitrile, isopropanol and water in proportions 3 : 3 : 2 SP:SAMPLEPREP_SUMMARY Rinse the extraction solution for 5 min with nitrogen. Make sure that the SP:SAMPLEPREP_SUMMARY nitrogen line was flushed out of air before using it for degassing the SP:SAMPLEPREP_SUMMARY extraction solvent solution Sample Preparation Weigh 50 mg tissue sample in to a SP:SAMPLEPREP_SUMMARY 25 ml conical polypropylene centrifuge tube. Add 2.5mL extraction solvent to the SP:SAMPLEPREP_SUMMARY tissue sample and homogenize for 45 seconds ensuring that sample resembles a SP:SAMPLEPREP_SUMMARY powder. In between samples, clean the homogenizer in solutions of methanol, SP:SAMPLEPREP_SUMMARY acetone, water, and the extraction solvent. Centrifuge the samples at 2500 rpm. SP:SAMPLEPREP_SUMMARY for 5 minutes. Aliquot 2 X 500µl supernatant, one for analysis and one for a SP:SAMPLEPREP_SUMMARY backup sample. Store backup aliquot in the -20°C freezer. Evaporate one 500µl SP:SAMPLEPREP_SUMMARY aliquot of the sample in the Labconco Centrivap cold trap concentrator to SP:SAMPLEPREP_SUMMARY complete dryness The dried aliquot is then re-suspended with 500μl 50% SP:SAMPLEPREP_SUMMARY acetonitrile (degassed as given) Centrifuge for 2 min at 14000 rcf using the SP:SAMPLEPREP_SUMMARY centrifuge Eppendorf 5415. Remove supernatant to a new Eppendorff tube. SP:SAMPLEPREP_SUMMARY Evaporate the supernatant to dryness in the the Labconco Centrivap cold trap SP:SAMPLEPREP_SUMMARY concentrator. Submit to derivatization. The residue should contain membrane SP:SAMPLEPREP_SUMMARY lipids because these are supposedly not soluble enough to be found in the 50% SP:SAMPLEPREP_SUMMARY acetonitrile solution. Therefore, this ‘membrane residue’ is now taken for SP:SAMPLEPREP_SUMMARY membrane lipidomic fingerprinting using the nanomate LTQ ion trap mass SP:SAMPLEPREP_SUMMARY spectrometer. Likely, a good solvent to redissolve the membrane lipids is e.g. SP:SAMPLEPREP_SUMMARY 75% isopropanol (degassed as given above). If the ‘analysis’ aliquot is to SP:SAMPLEPREP_SUMMARY be used for semi lipophilic compounds such as tyrosine pathway intermediates SP:SAMPLEPREP_SUMMARY (incl. dopamine, serotonine etc, i.e. polar aromatic compounds), then these are SP:SAMPLEPREP_SUMMARY supposedly to be found together with the ‘GCTOF’ aliquot. We can assume that SP:SAMPLEPREP_SUMMARY this mixture is still too complex for Agilent chipLCMS. Therefore, in order to SP:SAMPLEPREP_SUMMARY develop and validate target analysis for such aromatic compounds, we should use SP:SAMPLEPREP_SUMMARY some sort of Solid Phase purification. We re-suspend the dried ‘GCTOF’ SP:SAMPLEPREP_SUMMARY aliquot in 300 l water (degassed as before) to take out sugars, aliphatic SP:SAMPLEPREP_SUMMARY amino acids, hydroxyl acids and similar logP compounds. The residue should SP:SAMPLEPREP_SUMMARY contain our target aromatics .We could also try to adjust pH by using low SP:SAMPLEPREP_SUMMARY concentration acetate or phosphate buffer. The residue could then be taken up in SP:SAMPLEPREP_SUMMARY 50% acetonitrile and used for GCTOF and Agilent chipMS experiments. The other SP:SAMPLEPREP_SUMMARY aliquot should be checked how much of our target compounds would actually be SP:SAMPLEPREP_SUMMARY found in the ‘sugar’ fraction. 6. Problems To prevent contamination SP:SAMPLEPREP_SUMMARY disposable material is used. Control pH from extraction mix. 7. Quality SP:SAMPLEPREP_SUMMARY assurance For each sequence of sample extractions, perform one blank negative SP:SAMPLEPREP_SUMMARY control extraction by applying the total procedure (i.e. all materials and SP:SAMPLEPREP_SUMMARY plastic ware) without biological sample. 8. Disposal of waste Collect all SP:SAMPLEPREP_SUMMARY chemicals in appropriate bottles and follow the disposal rules. Sample SP:SAMPLEPREP_SUMMARY preparation of blood plasma or serum samples for GCTOF analysis Purpose: This SP:SAMPLEPREP_SUMMARY SOP describes sample extraction and sample preparation for primary metabolism SP:SAMPLEPREP_SUMMARY profiling by gas chromatography/time-of-flight mass spectrometry (GCTOF). SP:SAMPLEPREP_SUMMARY References: Fiehn O, Kind T (2006) Metabolite profiling in blood plasma. In: SP:SAMPLEPREP_SUMMARY Metabolomics: Methods and Protocols. Weckwerth W (ed.), Humana Press, Totowa NJ. SP:SAMPLEPREP_SUMMARY Fiehn, O. Metabolomics by gas chromatography - mass spectrometry: combined SP:SAMPLEPREP_SUMMARY targeted and untargeted profiling. 2016. Curr. Protoc. Mol. Biol. SP:SAMPLEPREP_SUMMARY 114:30.4.1-30.4.32. doi: 10.1002/0471142727.mb3004s114. Starting material: SP:SAMPLEPREP_SUMMARY Plasma/serum: 30 µL sample volume or aliquot Equipment: Centrifuge Eppendorf SP:SAMPLEPREP_SUMMARY 5415 D Calibrated pipettes 1-200µL and 100-1000µL Multi-Tube Vortexer (VWR SP:SAMPLEPREP_SUMMARY VX-2500) Orbital Mixing Chilling/Heating Plate (Torrey Pines Scientific SP:SAMPLEPREP_SUMMARY Instruments) Speed vacuum concentration system (Labconco Centrivap cold trap) SP:SAMPLEPREP_SUMMARY Nitrogen line with Pasteur pipette Chemicals and consumables: Product SP:SAMPLEPREP_SUMMARY Manufacturer & Part Number Eppendorf tubes 1.5 mL, uncolored Eppendorf 022363204 SP:SAMPLEPREP_SUMMARY Crushed ice UC Davis Water, LC/MS Grade Fisher Optima W6-4 Acetonitrile, LC/MS SP:SAMPLEPREP_SUMMARY Grade Fisher Optima A955-4 Isopropanol, LC/MS Grade Fisher A461-4 pH paper 5-10 SP:SAMPLEPREP_SUMMARY Millipore Sigma 1095330001 Bioreclamation human plasma (disodium EDTA) SP:SAMPLEPREP_SUMMARY Bioreclamation HMPLEDTA Sample Preparation: Preparation of extraction solvent SP:SAMPLEPREP_SUMMARY For 1 L of extraction solvent, combine 375 mL of acetonitrile, 375 mL of SP:SAMPLEPREP_SUMMARY isopropanol, and 250 mL water in a 1 L bottle conditioned with the SP:SAMPLEPREP_SUMMARY aforementioned chemicals. If a different total volume of extraction solvent is SP:SAMPLEPREP_SUMMARY needed, simply mix acetonitrile, isopropanol, and water in volumes in proportion SP:SAMPLEPREP_SUMMARY 3:3:2. Purge the extraction solution mix for 5 min with nitrogen with small SP:SAMPLEPREP_SUMMARY bubbles. Make sure that the nitrogen line is flushed out of air before using it SP:SAMPLEPREP_SUMMARY for degassing the extraction solvent solution. Store at -20°C until use. Note: SP:SAMPLEPREP_SUMMARY if solvent freezes, sonicate until thawed and mix before use. Extraction Thaw SP:SAMPLEPREP_SUMMARY raw samples at room temperature (or in the refrigerator at 4˚C) and vortex 10 SP:SAMPLEPREP_SUMMARY sec at low speed to homogenize. Aliquot 30 μL of plasma sample into a 1.5 mL SP:SAMPLEPREP_SUMMARY Eppendorf tube. Keep all samples on ice. Add 1 mL 3:3:2 (v/v/v) ACN:IPA:H2O SP:SAMPLEPREP_SUMMARY extraction solvent (prechilled in a -20°C freezer). Vortex the sample for 10 SP:SAMPLEPREP_SUMMARY sec. Shake for 5 min at 4°C using the Orbital Mixing Chilling/Heating Plate. SP:SAMPLEPREP_SUMMARY Continue to keep all extracted samples on ice. Centrifuge samples for 2 min at SP:SAMPLEPREP_SUMMARY 14000 rcf. Aliquot two 450 μL portions of the supernatant into 1.5 mL Eppendorf SP:SAMPLEPREP_SUMMARY tubes (one for analysis and one as a backup sample). Transfer 100 μL of the SP:SAMPLEPREP_SUMMARY remaining supernatant from each sample to a 2, 15, or 50 mL tube for pools, SP:SAMPLEPREP_SUMMARY depending on number of samples in the study. Evaporate one 450 μL aliquot of SP:SAMPLEPREP_SUMMARY the sample in the Labconco Centrivap cold trap concentrator to complete dryness. SP:SAMPLEPREP_SUMMARY Proceed with cleanup or store tubes at -20°C until cleanup. Pooling Transfer SP:SAMPLEPREP_SUMMARY multiple 475 µL aliquots of pooled samples to 1.5 mL Eppendorf tubes, one SP:SAMPLEPREP_SUMMARY aliquot for every 10 samples in the study. If there is still pool remaining, SP:SAMPLEPREP_SUMMARY prepare additional aliquots for backup. Centrifuge pool samples for 2 min at SP:SAMPLEPREP_SUMMARY 14000 rcf. Remove 450 µL supernatant to new 1.5 mL Eppendorf tube. Evaporate to SP:SAMPLEPREP_SUMMARY complete dryness in the Labconco Centrivap cold trap concentrator. Proceed with SP:SAMPLEPREP_SUMMARY cleanup or store tubes at -20°C until cleanup. Cleanup Resuspend the dried SP:SAMPLEPREP_SUMMARY aliquot with 500 μL 50:50 (v/v) ACN:H2O (degassed as given above) and vortex SP:SAMPLEPREP_SUMMARY for about 10 sec. Centrifuge for 2 min at 14000 rcf. Remove 475 μL supernatant SP:SAMPLEPREP_SUMMARY to a new 1.5 mL Eppendorf tube. Evaporate the transferred supernatant to SP:SAMPLEPREP_SUMMARY complete dryness in the Labconco Centrivap cold trap concentrator. Submit to SP:SAMPLEPREP_SUMMARY derivatization (see SOP “Derivatization of GC Samples & Standards”) or store SP:SAMPLEPREP_SUMMARY at -20°C until ready for analysis. Quality assurance For every 50 samples, SP:SAMPLEPREP_SUMMARY perform one method blank negative control extraction by applying the total SP:SAMPLEPREP_SUMMARY procedure (i.e. all materials and plastic ware) without biological sample. If no SP:SAMPLEPREP_SUMMARY combined pool was made from the extracted samples, use one commercial SP:SAMPLEPREP_SUMMARY plasma/serum pool sample per 10 authentic subject samples as control instead. SP:SAMPLEPREP_SUMMARY Disposal of waste Collect all chemicals in appropriate bottles and follow the SP:SAMPLEPREP_SUMMARY disposal rules. Collect residual plasma/serum samples in specifically designed SP:SAMPLEPREP_SUMMARY red ‘biohazard’ waste bags. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY A 30 m long, 0.25 mm i.d. Rtx-5Sil MS column (0.25 μm 95% dimethyl 5% diphenyl CH:CHROMATOGRAPHY_SUMMARY polysiloxane film) with additional 10 m integrated guard column is used (Restek, CH:CHROMATOGRAPHY_SUMMARY Bellefonte PA). 99.9999% pure Helium with built-in purifier (Airgas, Radnor PA) CH:CHROMATOGRAPHY_SUMMARY is set at constant flow of 1 ml/min. The oven temperature is held constant at CH:CHROMATOGRAPHY_SUMMARY 50°C for 1 min and then ramped at 20°C/min to 330°C at which it is held CH:CHROMATOGRAPHY_SUMMARY constant for 5 min. CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Leco CH:COLUMN_NAME Rtx-5Sil MS column #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Leco Pegasus IV TOF MS:INSTRUMENT_TYPE GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS GC-TOF Method: Instruments: Gerstel CIS4 –with dual MPS Injector/ Agilent 6890 MS:MS_COMMENTS GC- Pegasus III TOF MS Injector conditions: Agilent 6890 GC is equipped with a MS:MS_COMMENTS Gerstel automatic liner exchange system (ALEX) that includes a multipurpose MS:MS_COMMENTS sample (MPS2) dual rail, and a Gerstel CIS cold injection system (Gerstel, MS:MS_COMMENTS Muehlheim, Germany) with temperature program as follows: 50°C to 275°C final MS:MS_COMMENTS temperature at a rate of 12 °C/s and hold for 3 minutes. Injection volume is MS:MS_COMMENTS 0.5 μl with 10 μl/s injection speed on a splitless injector with purge time of MS:MS_COMMENTS 25 seconds. Liner (Gerstel #011711-010-00) is changed after every 10 samples, MS:MS_COMMENTS (using the Maestro1 Gerstel software vs. 1.1.4.18). Before and after each MS:MS_COMMENTS injection, the 10 μl injection syringe is washed three times with 10 μl ethyl MS:MS_COMMENTS acetate. Gas Chromatography conditions: A 30 m long, 0.25 mm i.d. Rtx-5Sil MS MS:MS_COMMENTS column (0.25 μm 95% dimethyl 5% diphenyl polysiloxane film) with additional 10 MS:MS_COMMENTS m integrated guard column is used (Restek, Bellefonte PA). 99.9999% pure Helium MS:MS_COMMENTS with built-in purifier (Airgas, Radnor PA) is set at constant flow of 1 ml/min. MS:MS_COMMENTS The oven temperature is held constant at 50°C for 1 min and then ramped at MS:MS_COMMENTS 20°C/min to 330°C at which it is held constant for 5 min. Mass spectrometer MS:MS_COMMENTS settings: A Leco Pegasus IV time of flight mass spectrometer is controlled by MS:MS_COMMENTS the Leco ChromaTOF software vs. 2.32 (St. Joseph, MI). The transfer line MS:MS_COMMENTS temperature between gas chromatograph and mass spectrometer is set to 280°C. MS:MS_COMMENTS Electron impact ionization at 70V is employed with an ion source temperature of MS:MS_COMMENTS 250°C. Acquisition rate is 17 spectra/second, with a scan mass range of 85-500 MS:MS_COMMENTS Da. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS normalized peak height MS_METABOLITE_DATA_START Samples Heart HCR18659_018 Heart HCR18698_017 Heart HCR18729_016 Heart HCR18730_015 Heart HCR18731_014 Heart LCR28026_013 Heart LCR28069_012 Heart LCR28135_010 Heart LCR28208_011 Liver HCR18659_009 Liver HCR18698_008 Liver HCR18729_007 Liver HCR18730_006 Liver HCR18731_005 _001 _002 _003 Liver LCR28026_004 Liver LCR28069_003 Liver LCR28135_001 Liver LCR28208_002 _004 _005 MA5-HCR_030 MA7-HCR_028 MA8-HCR_029 Serum HCR18659_027 Serum HCR18729_025 Serum HCR18730_024 Serum HCR18731_023 SerumHCR18698_026 _006 _007 _008 Serum LCR28026_022 Serum LCR28069_021 Serum LCR28135_019 Serum LCR28208_020 _009 _010 Heart HCR18730_040 Heart LCR28208_039 HEART_HCR18866_013 HEART_HCR18871_015 HEART_HCR18883_014 HEART_HCR18895_016 HEART_HCR18927_017 HEART_HCR18947_018 HEART_HCR19139_061 HEART_HCR19140_062 HEART_HCR19143_063 HEART_HCR19153_060 HEART_HCR19157_058 HEART_HCR19158_059 HEART_LCR28344_021 HEART_LCR28369_024 HEART_LCR28397_023 HEART_LCR28404_019 HEART_LCR28415_022 HEART_LCR28438_020 HEART_LCR29029_069 HEART_LCR29097_066 HEART_LCR29098_065 HEART_LCR29099_067 HEART_LCR29200_068 HEART_LCR29203_064 Liver HCR18731_038 Liver LCR28135_037 LIVER_HCR18866_001 LIVER_HCR18871_003 LIVER_HCR18883_002 LIVER_HCR18895_004 LIVER_HCR18927_005 LIVER_HCR18947_006 LIVER_HCR19139_049 LIVER_HCR19140_050 LIVER_HCR19143_051 LIVER_HCR19153_048 LIVER_HCR19157_046 LIVER_HCR19158_047 LIVER_LCR28344_009 LIVER_LCR28369_012 LIVER_LCR28397_011 LIVER_LCR28404_007 LIVER_LCR28415_010 LIVER_LCR28438_008 LIVER_LCR29029_057 LIVER_LCR29097_054 LIVER_LCR29098_053 LIVER_LCR29099_055 LIVER_LCR29200_056 LIVER_LCR29203_052 Serum HCR18729_042 Serum LCR28069_041 SERUM_HCR18866_025 SERUM_HCR18871_027 SERUM_HCR18883_026 SERUM_HCR18895_028 SERUM_HCR18927_029 SERUM_HCR18947_030 SERUM_HCR19139_073 SERUM_HCR19140_074 SERUM_HCR19143_075 SERUM_HCR19153_072 SERUM_HCR19157_070 SERUM_HCR19158_071 SERUM_LCR28344_033 SERUM_LCR28369_036 SERUM_LCR28397_035 SERUM_LCR28404_031 SERUM_LCR28415_034 SERUM_LCR28438_032 SERUM_LCR29029_081 SERUM_LCR29097_078 SERUM_LCR29098_077 SERUM_LCR29099_079 SERUM_LCR29200_080 SERUM_LCR29203_076 Heart Pool 1 Heart Pool 2 Liver Pool 1 Liver Pool 2 Serum Pool 4 Serum Pool 1 Serum Pool 2 Serum Pool 3 13-H_031 14-H_032 15-H_033 21-H_034 22-H_035 23-H_036 24-H_037 25-H_038 26-H_039 1-H_027 2-H_028 5-H_029 6-H_030 10-L_008 11-L_009 12-L_010 13-L_011 14-L_012 15-L_013 16-L_014 9-L_007 17-L_015 18-L_016 19-L_017 20-L_018 21-L_019 22-L_020 23-L_021 24-L_022 25-L_023 26-L_024 27-L_025 28-L_026 1-L_001 2-L_002 3-L_003 4-L_004 5-L_005 6-L_006 C2-HC-1_046 C2-HC-2_047 HC-4_049 HC-5_050 HC-6_051 HC-7_052 HC-8_053 MA-10_063 MA-11_064 MA-12_065 MA-5_058 MA-7_060 MA-8_061 MA-9_062 Rat 1_040 Rat 2_041 Rat 3_042 Rat 4_043 Rat 5_044 Rat 6_045 Factors treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:LCR | Tissue:liver treatment:HCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:LCR | Tissue:Serum treatment:control | Tissue:Serum treatment:control | Tissue:Serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:control | Tissue:Serum treatment:control | Tissue:Serum treatment:HCR | Tissue:heart treatment:LCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:HCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:LCR | Tissue:heart treatment:HCR | Tissue:liver treatment:LCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:HCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:LCR | Tissue:liver treatment:HCR | Tissue:serum treatment:LCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:HCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:LCR | Tissue:serum treatment:control | Tissue:Heart treatment:control | Tissue:Heart treatment:control | Tissue:Liver treatment:control | Tissue:Liver treatment:control | Tissue:Serum treatment:control | Tissue:Serum treatment:control | Tissue:Serum treatment:control | Tissue:Serum treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:heart treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:liver treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum treatment:control | Tissue:serum xylulose NIST 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 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88667 40959 97435 81708 171466 88118 116905 85107 112499 67231 78283 110107 98775 96672 85248 72653 84397 83820 97607 99564 102643 79286 97887 86764 41247 90680 81446 97709 92873 888630 732711 318635 509180 213527 456804 296563 290483 446392 278561 267116 301459 337775 273524 488041 525410 503364 455983 575944 448877 557241 394235 374497 319123 315811 447630 68799 63395 105800 111190 357803 357695 361918 252515 86782 54233 63569 79808 94244 55643 98851 92443 72804 73953 82374 61564 73186 286508 171129 325978 246378 317754 183059 504256 310906 222610 460932 370231 375087 215504 331355 389397 245560 335751 389942 132571 390583 344714 454670 223681 436441 409470 499528 388259 567027 299166 346509 709547 468976 600397 528170 686956 640220 768454 596853 702471 401658 488107 517680 490844 547870 836481 499360 uridine-5-monophosphate 871 645 127 4598 353 3407 762 239 1608 199 245 688 197 294 5156 8838 7593 221 63 137 627 5439 7366 729 800 267 1455 464 1390 460 427 456 2179 1373 1026 5255 351 1262 764 309 uridine 1684 6559 2582 5144 2165 4443 1987 2527 5566 1499 2507 8183 1836 2920 14017 13604 12134 8876 6135 2786 8548 20081 10368 1105 4990 4457 2602 1752 1903 8078 630 1129 2327 1132 1260 1388 1804 3109 1469 1815 12229 6479 4283 5934 13146 5347 10218 5219 9944 5488 8475 3328 5491 6666 9275 9356 5296 3242 7136 5056 3385 4392 3052 6774 5245 3093 17400 12227 15417 32017 22386 14299 24947 22090 24107 17379 17143 17461 11081 12173 15170 10186 12428 11380 21539 13357 5747 14108 15979 17092 10777 14126 1377 2246 880 914 2121 1361 637 870 885 913 649 1150 1131 685 1390 1325 995 1270 1236 1049 728 714 891 831 1388 786 6809 6453 17044 13862 771 785 1584 1762 9998 8021 4322 19344 11877 6276 6329 8182 9792 1299 7046 9479 5210 63232 34069 52139 97596 65753 80916 99073 32717 110455 57035 165354 48619 105702 95343 59841 135218 59300 68650 52324 37983 43648 50585 69782 61770 114667 68544 1923 721 579 1778 639 1723 630 615 506 465 580 532 1659 1266 717 498 446 853 665 836 uric acid 39643 31310 28244 28637 36039 26545 61832 39881 45315 3171 3095 3901 3282 1478 4344 6985 4911 5614 8079 2071 6904 4145 1391 9992 9704 19257 13198 11185 10015 12307 7673 8695 6238 6352 18740 20722 22012 22038 4554 10753 3522 5485 5645 1542 4759 6018 3731 6800 2950 4913 11253 4436 3562 4672 4126 4486 6286 6925 3555 6050 11860 7241 4457 6475 6325 9860 3334 11892 2234 2319 5132 1313 1369 2311 2410 6728 1357 3423 2500 2604 3070 2315 2392 3226 2859 2162 3681 1611 3901 5736 4668 2966 16283 25077 22789 13206 49323 5620 18596 28153 13845 23966 16631 44417 20188 17983 26058 28395 19764 28248 19060 19497 8920 14492 24904 22011 36092 19023 8636 8492 15179 14823 29664 25795 55541 42823 3067 2623 1768 1316 3546 2544 2405 1179 2145 1836 2290 2684 1794 3062 4379 6306 5482 2741 1724 1355 3724 3799 3394 4817 5667 4743 4240 4501 4613 2955 5515 4285 3263 5419 5796 4981 6459 3916 5047 15462 11169 38448 35991 20181 62989 19106 15204 15274 9572 8264 9651 26965 45380 18477 9310 12579 11407 9173 30454 urea 1063648 859432 2502437 610739 584193 520160 512922 527768 600612 1217774 744439 627007 584414 711790 880909 1193364 948846 571666 674730 612821 653619 1596303 1101801 6403880 5813471 1186623 4848597 1644418 6844674 5732130 3708124 6378753 6141521 7669277 3126491 6043838 6446513 6468869 9178259 6609950 565177 562136 1035932 937111 816981 1149794 906507 1274534 584144 818019 2573054 662352 864317 693627 654914 1361114 1845237 1766204 677363 1356546 2896320 658983 872440 305 1004428 1879153 376615 234363 302340 320381 408299 557500 369442 381320 375172 432343 478867 403884 354031 255326 316661 517896 732783 662901 304045 463001 616195 289931 351819 487054 437024 551766 3358311 3523469 900340 2190189 1293568 2164661 1702827 1778887 1434667 832597 1475898 1370236 1629154 1204781 1407477 2281796 2429194 1246199 1715152 1938224 2404623 1486245 1643464 1425685 1762367 1720728 1094130 1064609 395686 331143 1671080 1448718 1838840 844605 708715 560371 633372 634887 734896 475956 622638 501136 841053 519925 430561 701679 352981 880762 513965 1051514 953929 545922 402688 594227 666092 979599 487255 1023042 872538 994672 657319 457580 1013297 785089 905899 987356 633226 674636 483160 423994 831543 1001537 569667 2816416 1933289 2643915 2424654 2161985 1663332 1030674 2456457 2141678 1510787 2144677 1679375 2213627 2624343 2353669 1722303 1734341 2165186 2133605 1801519 uracil 113440 140708 100873 124362 129800 116157 127588 123218 130425 304125 177013 238971 190568 198145 3306 6863 4650 105254 177360 112120 160085 5695 2350 3889 5817 9414 12073 7356 8636 5992 5271 5121 4348 4678 5637 12600 8792 12431 3565 3908 30688 24248 31862 40543 55094 40192 44892 30516 52224 35597 62358 26071 15773 48859 53807 41892 37561 24118 32974 41290 31494 50914 30774 47449 29151 59452 5068 3796 5198 4999 3877 13107 5784 4859 1277 18167 10524 4392 8045 7882 903 3203 3452 5136 2906 4580 8151 4612 1951 11577 4365 7960 3630 1156 4308 5565 2456 3320 4105 4326 4338 3463 3467 5191 3392 2560 2814 3023 765 5147 2458 4237 2965 2189 2240 4714 3877 4025 38591 33368 6930 3720 5648 4309 4297 2008 72019 35566 53393 40514 69718 51693 52720 60827 42481 37298 35695 31840 34159 132107 91229 74467 46794 70084 86922 42687 106945 30476 19220 20136 41738 42364 67117 47366 30145 62357 64589 54703 73201 56789 59284 63815 30566 52657 80924 2661 3160 4910 4578 3086 1401 2446 2066 2144 3082 1778 2118 3937 4117 2457 1981 2401 2856 3022 3428 UDP-glucuronic acid 1198 2683 1379 1042 2551 1150 546 922 2338 1256 25775 37213 1205 838 25827 34177 31462 46148 1342 228 2345 19813 60337 1369 2613 922 4040 462 655 934 1155 1486 1786 2661 923 1629 1106 1328 1880 2163 1362 2137 1966 1573 1781 2908 1017 2105 1811 1968 4071 2121 2505 1600 2274 7684 2671 2515 1601 2264 3378 1863 1892 2613 1405 1970 1033 1382 6495 7880 12623 13674 10306 9754 12970 19079 13942 13445 11542 7357 5254 9643 22634 10231 9321 4484 26385 4869 6377 8172 24997 16890 4788 1966 1327 1626 660 1569 1927 988 1444 773 1165 1080 1245 1353 1844 2049 1378 1045 2106 1992 1750 1648 1637 992 1286 2107 1446 2071 8266 7523 1387 1956 1021 1170 5093 7845 7867 497 7621 7428 10253 7112 5251 915 6013 8719 6582 19671 3202 3095 3917 8434 9512 10984 5150 5793 6273 11446 4621 12475 4531 10766 2999 7088 3486 5308 4859 3095 5872 23711 8038 5141 4210 1081 2155 2838 1283 1139 1254 729 801 941 904 1151 556 1933 1517 825 790 1002 1162 810 773 UDP GlcNAc 630 739 556 1715 2423 360 703 849 526 1974 3033 4147 2935 1539 8830 9354 9243 2298 4676 1016 2879 8238 5979 455 1928 892 2531 1073 360 3331 257 827 619 781 457 1597 831 4344 1727 541 4968 2344 7605 5941 5563 7125 4653 6291 6694 6568 5457 5501 4199 6894 5268 5724 6738 6563 5466 6243 6065 6310 6545 6715 6485 6665 15361 10640 4839 7428 8469 9959 9001 11926 6792 4385 7197 4891 9731 8752 8791 4780 12433 7713 9170 10191 12696 5168 6370 6319 8674 8780 1324 724 4222 2165 13698 2140 2555 1853 5113 4257 2346 2902 2847 3396 3168 1985 2162 2594 2175 2650 2934 2725 2326 5106 2791 2059 5532 6897 10003 8369 3319 3415 14768 11132 1072 1224 1896 786 956 1027 698 589 1660 950 1207 1012 1056 7127 8688 4452 8778 5828 7296 8081 7222 5404 4786 6653 7835 9088 5080 7355 4300 5804 7414 6673 6778 6935 5306 4898 5691 4417 2516 2645 1333 1695 5222 1230 2712 974 2383 818 2710 1179 1611 2056 3247 1648 2595 922 4168 610 3773 tyrosine 180124 210388 198694 313226 166885 197104 131909 195757 145819 227778 285558 264247 129032 67654 86638 54864 65749 212484 362666 369283 218088 48811 55011 354436 227552 253976 246415 273013 227533 236559 227964 214213 235670 178031 232608 255151 329544 286282 221113 168505 68364 63198 99756 107983 155836 110406 99645 119216 89448 119441 147575 90444 84545 96105 112701 94652 134917 88243 176468 120674 210437 15382 113572 146705 107446 157902 75534 131170 135262 156127 97518 119569 110112 133250 113339 124131 140436 107301 91261 93044 93638 109621 93359 106319 106129 120074 98727 104553 134671 98184 181436 95114 524061 385561 265229 354057 180016 352075 264118 337933 315260 269617 297125 226834 237837 302066 399724 328435 350419 205536 506382 391106 525508 303245 372582 258644 296709 354463 121046 121185 150651 151302 327556 329676 203974 154502 85302 71484 69631 62119 70844 47438 52929 70534 63761 78173 77062 42216 46304 565192 544218 519834 362405 502398 512345 613135 475014 494376 501039 723235 723411 527020 522117 422592 498497 465109 545507 494198 511978 505023 671692 522862 503210 644963 427864 219594 437663 476768 442095 414616 358785 605042 396974 311070 342418 482296 260873 361727 510002 667117 519857 414999 386280 280956 294366 tryptophan 45592 58001 69066 42039 58779 46301 44035 66955 47809 367691 107306 88534 75964 61544 27216 21905 20262 76259 143463 124413 72644 21638 18422 742097 630555 571508 935245 736603 627406 831066 548150 745233 573012 697054 570520 748416 576133 827546 864685 645887 44259 40235 51671 48652 62511 41357 42291 55170 38028 38598 115079 45269 41867 44611 47497 54842 26411 54065 46633 49916 148107 49225 46844 71850 50066 80555 19034 50166 25822 28762 26580 28612 19564 29159 22508 32933 36943 29885 22443 25515 11406 19315 28482 28876 21965 27138 34925 15936 24539 28755 39685 27707 1179745 1265025 259014 558880 284159 392411 283494 289111 313503 347778 533668 288459 277719 413707 439493 414144 472073 340365 604515 459004 588290 470409 489599 344398 434930 373909 53606 53205 22458 28314 450305 456763 306584 234444 20983 26188 23899 16197 27238 19192 22638 29615 22555 15185 25047 9962 23053 78092 78800 68568 16478 74997 31400 55612 77526 39940 43091 58703 86852 61288 50670 48754 47242 49768 67840 77105 65692 82642 74522 56934 67432 62632 53224 167272 895413 675797 822950 917595 508617 829089 1180556 728013 822004 982649 798563 877074 1000788 912907 834897 879354 938220 891524 790942 trans-4-hydroxy-L-proline 2145 2559 6955 2809 2406 1999 1425 1917 3023 1110 2699 2775 1503 1516 5363 1637 5151 919 2745 990 2274 3395 4075 21561 14195 9079 10027 9623 22543 19037 9657 17461 24463 4127 7896 25046 20098 21410 22243 18035 1273 1582 928 1216 1677 1148 1290 1097 868 1428 2249 1292 682 1483 920 978 1171 1116 1370 910 1777 1280 1128 2394 959 1139 1493 1142 1054 1147 1310 1711 1451 1449 1655 1401 1847 1150 1075 1208 622 915 1480 885 2364 922 1080 983 950 1045 1785 1602 9800 7232 2160 3948 2271 2996 3895 3738 3180 2277 3813 2523 2033 4336 1923 2724 2662 2537 3891 3236 4786 3932 2059 3649 2519 2417 987 1095 1320 1503 4350 1167 2514 1776 tocopherol alpha- 12754 16799 12540 13218 19466 15088 13883 13667 11608 4223 7673 4823 4544 4367 12892 14410 293 7207 4290 7928 6948 20864 20895 41829 34264 27027 33179 19307 19497 29004 20411 38207 27157 37269 30227 53203 27203 34146 53953 29655 57722 48529 55795 52500 19836 43056 52840 42205 47220 35689 125993 37529 49548 41201 38039 43963 29327 49432 42199 54568 41730 43668 49008 110661 38132 30897 22571 15578 12892 9924 17376 12324 10352 13507 10025 5869 10108 7502 7161 2886 11781 20008 19223 22451 9959 13308 11621 7340 7160 9568 9900 7237 36454 78339 10686 34339 18436 31029 26029 21612 25645 22629 20776 19712 20952 19012 31860 38409 35951 34602 29779 19262 29133 25005 17881 11802 9641 17031 68287 56867 13517 13037 25271 18449 19868 16657 5583 13818 3575 21179 13836 12110 18306 3143 10157 18165 9986 24494 15507 25688 30776 26962 19979 22424 20698 21966 26458 57984 26048 56717 41183 44204 44920 41770 54063 35152 46285 71161 30710 18694 28787 27023 34254 21023 34716 13503 53340 44411 27595 43458 23683 33497 71601 50940 46563 76591 66616 55721 42962 64351 48691 54006 26202 50032 67059 thymine 3175 3364 3204 2895 1285 2918 3227 3254 3709 5717 2706 1184 1822 1985 786 1453 1083 9661 1716 1779 2433 1539 957 1559 1333 1742 4100 2114 1965 1611 2229 1900 2597 1600 2663 5180 1554 5219 2117 2261 666 1343 767 881 2490 1585 760 920 1057 1224 1556 718 1942 1090 1102 1134 1675 2194 2021 802 1324 1266 1014 3093 1031 943 223 296 1052 2225 225 338 213 281 837 525 433 596 263 390 262 415 386 419 508 508 319 385 177 254 1081 385 1013 1468 453 450 266 460 485 617 530 438 835 591 485 464 739 1008 556 572 847 665 959 654 669 927 803 533 1148 1184 442 571 665 422 379 375 thymidine 6920 6689 6540 10661 8803 5853 7799 7738 7108 4133 3675 3590 2624 4909 8508 6811 3936 3185 5620 2388 3491 6426 5395 42064 29399 19462 55637 50676 41105 54788 46384 30095 43318 19441 31778 52360 38034 72205 35935 38126 8780 10754 10744 8404 15142 11768 7666 7446 2192 9582 8574 7564 1608 8243 5976 9410 9893 12068 11608 6465 11350 7270 6917 10012 7857 11151 3431 2784 5410 6691 4698 4124 2589 2760 1033 3951 1354 3155 3255 2706 1898 2640 2623 4372 5301 3269 3978 1100 2535 1238 5842 3146 45181 52457 29519 22630 26036 21761 18473 18791 14509 12587 16202 18468 19164 14629 16774 26792 22367 21023 31957 22368 23048 18623 19713 18554 19811 17476 8048 8941 4258 4026 22821 16212 32855 24836 954 1073 843 3315 3469 1608 1260 1573 638 538 585 2825 923 2115 443 587 239 1205 1623 1145 941 653 1227 2207 1302 938 439 1376 605 1650 1300 555 941 913 804 4645 919 527 1523 20319 7674 2825 9334 880 3725 4024 21886 2255 13416 4733 2163 5600 8819 7632 3843 12198 4697 7647 5761 threonine 194749 156826 247782 218086 178348 218050 203032 226007 191673 608852 329873 257999 418385 280561 111631 110064 61213 363197 286069 527305 386822 76308 105726 741005 395477 416393 797676 768152 688180 531794 987061 397927 550027 285330 807517 438524 511164 533716 405009 329982 91985 82112 62973 89845 109520 97700 78095 98817 69156 81153 100262 62319 67837 56322 71176 64432 95379 87074 76167 100262 119005 94981 100487 78672 64449 108023 82022 80566 33496 57121 108932 84132 49769 66532 72702 44570 71254 45603 52879 40711 39077 30823 120736 36663 42943 73937 61060 66783 82146 39820 53047 60833 495790 296307 109127 185996 117696 206144 230244 177072 157159 110893 95399 83349 95382 88859 170237 156060 230639 163402 161415 163899 191310 165258 233469 93261 78043 153002 74238 83319 70362 68193 116958 144219 166559 134648 28402 19973 26787 27902 32205 19032 20156 28888 25709 32923 37119 18831 24888 109636 53283 202281 84580 93353 64469 129788 97744 77748 120667 94930 150303 120982 101667 114212 70188 96652 125610 78136 118431 130793 163236 106966 137190 150012 139281 130235 284124 264277 151910 238241 142821 150026 185530 349989 298937 435910 268355 143208 203758 224035 239717 252052 174891 284586 142022 threonic acid 2667 2397 13655 2284 2237 5135 2278 796 3161 1367 2432 2384 2968 1165 56501 66386 60356 3967 3098 1208 3840 68450 55243 25062 39798 32493 36684 11109 37542 20314 18167 14253 10937 16963 31138 21749 21966 32122 19229 8058 10463 7820 11152 11937 10633 13407 10020 11551 15998 15376 18478 15386 12352 13847 12231 9468 9926 9764 11769 8459 31328 14493 12843 13346 12062 16241 3716 3511 3146 4901 2507 3976 4161 2142 3341 8729 4791 5788 5261 6391 3334 3721 3071 1325 5818 5604 10525 5998 4187 5293 6942 9385 16116 14774 12783 9843 7520 11410 7927 8411 13169 7632 8948 8495 7783 5613 9016 15456 8046 8267 9806 3250 13258 12698 8335 8867 7951 8594 19361 18924 6774 10215 3583 3619 13153 11295 4370 3644 5055 2863 3521 4780 4224 2797 4341 3681 3575 3923 2837 5544 9030 7107 8060 6795 9162 5645 3159 10101 7804 6422 7865 7154 6304 9824 12825 6147 8955 8602 7775 6060 7907 6564 3498 5868 6639 3777 11425 10539 13099 6134 11209 7418 8048 3943 4809 3624 6393 8808 10222 6071 4038 4337 4788 3810 4184 threitol 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 taurine 3381638 4385665 2877441 3147409 3561214 3352104 3702701 3367500 3849364 1008133 41624 35350 215720 193832 239128 1654249 542335 666264 514241 105296 1074955 1474662 1586655 90778 41750 105806 62026 46134 79425 97570 70995 24250 12060 9600 103941 40411 194214 93026 29149 14097 3599851 2800766 2852699 2744113 3872599 3403807 3855665 2907990 3986725 3740451 868999 4233121 3897434 2486062 3847478 1575918 3179642 2081379 2635201 2548566 134363 3391910 3214433 1290937 3732872 1546844 59 178 40761 11017 109 137 156 120 104 190 155 143 158 102 43874 172 116 199 8638 5507 8162 102 97 71 160 193 167 272 124 97 98 138 116 156 202 92 76 82 60 148 123 101 138 140 238 131 126 161 170 88 145 126 3459535 3381455 144 73 114 124 138 117 245671 154569 27405 990807 780649 992044 289123 277331 343641 680052 1737401 116143 1074045 5882 10347 9402 12642 10262 18198 3060 8018 43508 12742 41920 2450 439 73839 7573 96913 2374 76313 2273 8506 8687 30633 8077 124169 65356 74252 15430 12794 1258 34640 57455 38895 16358 23935 101006 18446 8322 18805 17284 2277 7329 7433 4664 8064 10424 14980 tartaric acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 tagatose 116004 141055 122142 129220 52824 54380 33237 39435 92688 11829 17732 31098 25429 13776 9138 8468 6162 22234 27437 7548 27450 9469 9548 6023 9266 7728 3259 2852 7489 9460 10818 5650 6390 7369 7560 11727 11556 7334 3527 7056 2370 5271 4514 13537 4257 5419 3220 3729 9024 5828 8168 10307 4829 15143 14825 11519 15752 9332 15488 11145 15478 6717 7422 13453 6170 11508 21381 11765 11122 8220 13387 8027 8767 19147 9690 19063 14833 6336 16399 917 853 2645 2289 1022 3521 1626 3642 741 2248 1982 2104 2548 3388 3503 5876 2545 2621 2476 3302 sucrose 9511 14666 3416 10088 5886 3203 5836 11252 27740 2109 2876 1654 2600 18610 517 852 472 6059 12086 3478 7569 356 701 659 258 478 2413 241 1200 852 1419 698 1345 447 1378 724 1626 1067 511 644 130 1290 1748 1390 5940 1598 484 243 548 2376 3433 1520 460 716 1324 1235 603 3982 2716 2825 3014 1440 1521 2817 878 779 1527 92 1905 4842 919 544 1176 122 752 1390 691 832 2593 932 1093 1427 555 1280 2236 15054 353 686 272 154 2494 743 2602 11199 359 1313 244 437 458 79 1053 581 649 402 367 499 670 846 246 1419 640 739 857 585 232 470 832 1133 2412 2459 2589 3935 202 1338 770 442 1581154 1926488 2103904 1707877 1474195 1843811 1960887 1724730 1311767 1665822 1228125 1767984 1521132 600 7985 700 869 1158 981 660 724 1653 655 3021 1660 345 977 22817 1227 636 1754 856 1191 1104 3475 3015 903 605 937 663 2701 647 2854 620 728 321 126 2273 1208 1079 395 71 900 767 734 707 421 603 4503 succinic acid 3291 4224 6413 5388 4542 13210 11910 3531 5114 22478 17104 27358 25070 9197 10364 27494 18639 11264 7267 32624 25649 34513 11685 10702 20153 26819 15142 15879 12956 12066 13841 13082 13787 12324 11897 20846 11627 22076 18162 12635 6862 18732 10191 10745 6045 7583 7151 7425 5510 8509 9368 5443 4831 5434 3031 9023 9008 9002 6123 7060 18899 6934 6931 6686 4405 11087 4642 9521 1931 3454 3250 2643 2073 4271 2350 2655 1224 2135 2084 1683 2521 5226 7978 2868 6635 1919 2434 2758 2647 2538 4447 3968 5863 9343 3740 5178 3846 3008 2274 5015 3214 3179 3225 5743 2432 2683 5557 17864 5983 4899 2783 3510 2725 5494 4496 4795 2325 4017 8462 7868 5463 4298 2523 3279 4724 3590 1825 1694 1481 1751 1820 760 1699 454 1222 1783 1603 2189 1455 2413 3519 3507 2075 2690 2463 2131 3454 2597 1603 2890 3400 6166 1537 2946 2457 4722 2010 3321 2602 1920 2844 3566 2060 1964 367 2505 3174 14846 7306 4275 32959 3783 4330 3018 1624 2414 7330 13239 2164 2543 2571 6482 3904 13451 11040 succinate semialdehyde 7164 11713 10995 7037 5717 5521 5790 10562 7903 1971 7863 15432 5572 4437 4228 4982 6411 3293 4507 25234 3231 4831 4356 4418 5205 5620 5285 3067 3883 8283 4690 3384 6488 4181 5202 9377 3273 9430 4117 3802 2526 2463 5461 1491 2480 2173 2673 2556 3366 1382 772 2201 4170 1274 1752 979 620 1072 936 465 4442 1076 1079 895 645 810 3111 601 993 879 473 1009 879 2208 1236 839 1258 1238 1013 1916 909 707 718 1241 509 766 875 752 927 864 998 1118 556 578 621 728 825 1036 867 stearic acid 574567 833967 498766 590160 504421 315317 339246 420052 274221 1363093 395703 418579 462172 531164 333794 322427 355467 357535 440260 409054 329102 303662 385810 343102 617367 260956 504190 378971 317303 321453 194720 302477 367148 451148 296874 421825 451426 369772 554559 398103 1326802 1743167 1500923 1203468 1417232 1792986 954375 1159254 944131 1825337 1549497 1095267 1316370 1511329 1165460 1614947 1359276 1515988 1165818 1392669 2165695 1081283 1066737 997291 1046404 1240133 856342 573350 727503 665362 684791 773401 633783 970044 692489 1221006 661117 641608 692503 614676 630875 773731 700697 756790 785133 733851 760880 729756 613427 668528 715698 945499 974464 1519019 675185 817351 600072 802938 742071 822527 985947 672060 495333 566658 743039 432756 817995 873845 757829 713338 980659 768307 919455 606284 526844 516657 684484 634840 1495161 1390004 922232 786281 857118 835030 733372 538678 667548 860560 752106 700039 684497 719846 669824 639313 600622 708281 673781 847875 567071 989989 1325155 1061607 980959 1005660 1163607 867874 1079452 1186725 790654 1047108 894173 1146674 930159 1286007 1039466 984090 1113190 1119158 905335 1069776 979101 1162134 1045231 888006 946234 894518 585151 708269 480023 257573 379024 487823 845236 457275 727647 532741 911635 618134 829607 510033 502724 559957 510479 555541 533802 squalene 3429 2716 1847 4501 4010 2904 2281 2184 2298 287 417 427 590 445 2268 2371 1652 399 614 534 763 3556 2203 1196 1067 752 1764 683 2405 806 860 906 5541 2101 1191 12578 1094 1838 1944 1126 16799 6631 3042 11250 14145 5033 10237 9136 5819 11160 16941 5036 10391 12820 1581 6563 14666 9590 13941 6779 14909 10985 11709 9531 9905 3573 2045 1603 1612 1867 1930 2462 2061 2546 2154 2347 2914 2316 2240 2996 1419 1860 2034 2136 2868 1319 1670 1790 2444 1771 1462 2900 1738 2423 750 1812 978 977 1098 996 2069 1203 636 882 768 643 1283 3050 945 865 1421 1441 2479 1722 960 797 847 968 11650 10856 2133 2447 1550 1887 1787 1150 9492 6633 10470 7418 5968 6154 2114 2508 2488 6585 3413 10007 2817 15242 1841 8696 12357 8391 17351 13375 9311 8815 3539 5480 7984 10727 4174 2109 4358 4023 6625 11358 3675 6950 12218 13121 11140 10947 3683 8236 1448 1645 385 812 1392 3376 2539 1698 1465 1771 807 1294 1413 1097 2839 1412 2309 1353 1278 sorbitol 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 sophorose 1787 644 489 3047 133 2043 770 485 1687 2288 1470 1509 1289 933 254 304 330 985 1152 1494 896 323 332 841 1264 336 955 544 374 574 467 618 853 575 528 503 400 765 605 274 459 188 219 267 369 236 204 184 194 281 479 161 171 282 264 253 259 257 209 197 404 191 120 132 182 333 873 743 649 450 1119 1403 1068 686 659 1067 1137 431 877 1327 567 390 338 583 653 452 557 339 448 824 508 356 232 437 908 400 841 411 236 363 142 342 135 458 506 162 286 432 341 52 233 233 302 157 330 1148 236 318 252 204 615 893 464 537 1757 1591 146 118 137 101 92 195 74 107 161 198 141 129 128 3950 10994 5674 8764 3982 6068 4661 2631 6333 3636 5667 5076 4512 2631 2835 2583 3112 1759 6969 4100 4283 6161 4420 3397 4875 3523 254 462 187 138 218 1198 136 97 157 123 94 125 175 174 103 245 87 108 231 199 shikimic acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 serotonin 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 serine 471459 800707 431739 515325 366549 551371 376020 485474 432340 2133654 1795025 1419022 1280040 1156425 910370 627990 501911 1167300 2225514 1621248 1515411 573148 853974 1878586 1390398 716701 1232260 1009490 1378226 1712013 1238558 1309935 1454576 1016058 1116171 1709385 1556835 2009723 1573733 1175884 105520 139394 161864 274500 223879 181309 121848 113053 143614 173165 391949 216092 188006 198858 194998 236010 413086 254971 218676 203272 291691 213650 223376 244310 238176 414758 332422 372753 220509 248971 356672 424795 163840 262335 291377 238471 331326 204235 241149 229535 166333 187893 531437 230197 262778 275224 261813 256050 336180 194118 320554 322784 818630 719794 271220 523797 301793 460216 367328 342048 280588 237712 229933 197564 251190 232144 353346 369360 484354 344211 449680 533931 498883 313664 381861 275213 290098 384712 239860 229002 276194 315697 373356 330113 343507 233102 65746 48149 98347 21371 78042 31275 56816 65888 49683 44112 41629 62149 36894 628522 391038 589218 319867 376213 417637 454654 339588 486479 314067 574156 463169 594307 488871 290055 431158 381534 423065 433845 365092 357497 409751 566964 373152 958477 448774 214160 362716 425103 436422 271783 275349 342412 354150 277124 417761 388236 308585 255416 329797 484359 438216 209266 423921 423295 223648 salicylic acid 875 698 11247 852 1130 944 632 762 1792 477 969 431 376 686 1618 1218 1617 859 1100 714 1129 733 1055 2348 1944 2167 3396 1092 1459 3204 1325 3804 3776 2344 2046 3277 1628 3051 2577 3688 saccharic acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 ribulose-5-phosphate 4190 6069 17069 8077 9192 3395 3558 6127 4025 517 441 578 836 1112 915 588 2908 536 1263 117 993 441 293 358 4532 1324 2286 1274 494 3719 366 540 3483 659 2845 2812 328 2068 2820 1057 32929 27253 5917 19257 35671 14689 47825 26238 54426 19935 39382 23674 10114 55168 43737 31877 13636 6982 25402 27793 17966 37259 8619 46337 20565 49650 4313 6943 3866 1602 3378 5743 3154 5043 3502 3500 6614 7041 5755 5201 4568 7461 4095 3616 1856 3334 6637 6755 3690 5876 8047 7022 273 336 141 133 204 149 157 182 153 160 85 56 189 146 211 183 282 211 192 156 141 152 144 133 204 133 43532 39904 7637 6269 153 170 284 96 141472 108009 137977 97552 143368 127360 141986 87153 19415 95227 82938 113735 94993 1443 1786 1881 2903 2001 1860 1398 1120 2275 1275 2469 2019 1449 1371 1715 3190 1624 2828 2301 1694 2823 2433 3170 3808 1021 1194 254 102 80 583 243 492 200 103 101 157 148 340 87 477 222 63 220 183 128 602 ribose-5-phosphate 620 3395 2457 1959 1885 1146 1548 2027 1413 325 393 525 314 604 5783 4590 5446 1511 950 91 606 1315 4399 366 4270 1549 2750 818 339 3021 195 583 2686 390 705 3111 345 2983 3882 942 6824 4274 6438 5106 8006 5853 11521 8390 6533 3589 6328 5190 5446 7320 6229 14430 6693 5360 6579 6400 8430 4183 4517 8327 5607 4858 2787 4437 1735 1534 2399 2499 1772 2222 1647 1848 3803 3573 2300 1212 1896 2618 2852 2246 1983 2115 3567 2058 1694 1936 2072 3070 686 373 365 686 472 420 390 360 202 336 459 387 372 595 307 233 403 404 716 528 479 362 351 558 553 544 13499 11735 4120 3453 439 481 491 487 68897 69831 67285 61039 70890 62774 87831 73269 50991 58235 53212 74260 49913 4155 7198 5975 7358 8356 12322 5093 5595 5226 4070 7672 6238 4224 653 5928 6644 2779 5850 7375 5475 5476 5091 7117 6953 2227 2971 234 134 122 648 115 283 104 84 49 114 94 83 80 134 71 68 94 100 80 91 ribose 123119 199291 789140 194872 62241 104715 83961 68616 139821 14716 36682 82154 37296 17408 50193 44973 41177 29760 29425 8890 29182 38938 36049 65854 11589 79566 13833 22983 93352 60604 37999 24257 29861 23967 108010 72123 83485 139733 11156 113078 18115 13564 7897 14353 30868 12346 12360 12660 27506 14022 27341 12537 12890 29035 33425 18473 10801 10084 17994 18559 13028 20377 14146 26167 10528 26616 21651 51231 27130 8483 23700 19884 34217 26427 29140 22433 104739 47523 34440 50074 19888 18922 1870 12701 1445 22841 21265 31681 34452 43537 1917 41375 43285 30029 39924 14067 81714 22205 30255 22652 19863 47274 15175 33680 21363 38585 20918 2115 1830 23513 53558 17306 11816 31818 45724 62704 34432 1152 41399 43584 52077 54099 40180 39951 104462 77754 105703 112350 96478 107508 132557 70006 104299 120735 103498 94934 82376 122549 76317 322941 229190 237934 202498 159249 495992 253131 308629 129273 164455 220254 138755 109657 209249 176406 169118 200863 179260 123377 101200 214869 280810 206647 316109 185351 168538 9918 21768 4970 36245 39920 81790 27638 30861 29680 14653 14294 4405 26324 2183 25128 16718 10674 6096 24068 46810 ribonic acid 1381 2797 5464 4190 1551 1717 1666 959 2616 41109 30824 43659 36326 18392 5889 4179 6803 57471 51258 3387 68052 3893 4249 1910 3379 2069 3342 1987 2304 2782 1619 1547 2509 2628 3126 2792 2595 4423 3254 3432 1334 655 999 1384 1248 1193 1092 891 1704 1144 1099 1674 1664 1657 1382 961 978 1193 1201 1395 906 1168 1414 1693 1412 1227 1314 1726 2914 2842 2999 2647 842 3173 1954 2226 1462 2244 1548 2216 1220 1613 3383 1944 1313 2263 2322 2074 1483 1573 2534 2104 2055 1633 1326 1100 863 1057 1260 1171 1104 757 949 827 1137 908 1285 1659 1377 1049 1697 1557 1826 1098 1355 1242 1279 1159 968 1479 1935 2005 1142 257 206 773 315 295 310 278 303 214 227 239 212 234 283 271 244 2268 2324 2279 2384 2365 2388 2104 2437 3286 1896 2478 2344 1170 1880 1652 1937 2060 1932 2723 1661 2179 2714 2452 2597 2047 1555 1003 884 1069 970 1127 1175 972 690 776 714 702 576 759 476 772 792 928 1093 720 999 ribitol 22804 29169 24772 19416 5886 22774 30840 6603 12063 11565 46550 69203 53695 23324 9776 5592 3212 42272 32012 14892 47227 8262 5507 4247 7191 4000 4821 2069 3570 6464 3126 5171 3747 4350 3704 4600 3608 7345 4173 5615 6411 5066 2054 6893 2387 8902 12739 2217 1951 11533 2510 5674 13147 2060 2507 2750 2399 9041 4885 7633 11395 1867 9228 13526 1824 3328 4615 9121 5476 5648 1239 3168 8785 6049 6636 4967 8355 6128 2372 8031 6010 5753 2443 3512 7086 5191 3429 5203 4442 7063 8102 5080 3948 3540 2312 2363 2728 997 2176 2318 2659 1470 2301 2721 433 1882 3106 6409 4120 3994 2884 4182 4793 2913 2526 2661 3678 3003 2378 2303 6352 1997 3494 3265 2833 1979 3823 12798 4494 3698 4554 1198 3062 3506 7748 2183 2210 2641 8042 29100 1581 32774 20120 2344 32098 25649 19873 25480 18285 30204 29334 28827 21243 15979 21614 23155 28407 30001 17841 25327 35122 29594 39213 35699 13643 1658 1672 2361 1557 1559 2606 1584 2656 1492 1537 1741 1851 2043 2615 1939 1489 1861 2533 2493 2113 raffinose 938 388 171 3954 660 789 438 347 803 3544 9646 16952 11647 31394 26010 18799 17422 18003 16679 1584 7931 19545 30947 1291 2805 471 3271 419 451 823 554 444 525 592 779 251 546 882 3839 572 quinic acid 3178 1310 821 2341 997 2346 1524 1642 9052 315 1325 473 798 3229 3230 588 3318 1951 3236 649 2907 377 1623 502 2017 926 2956 664 486 1230 328 1099 496 518 2518 856 481 3900 2408 765 1499 2943 1611 2997 6928 1646 1430 1457 8601 3742 1627 1351 1590 4898 3841 2762 1826 1291 2289 4614 1503 5382 1126 3594 1419 2711 2640 653 5491 10313 463 1728 1128 405 6661 5933 2725 8872 48027 22206 780 679 673 1034 1617 1271 2113 1942 3538 4695 5398 1920 1714 935 339 559 289 294 355 150 419 277 302 280 235 273 411 410 342 286 342 350 1212 226 346 304 364 266 2489 3257 4492 4607 333 425 399 269 pyruvic acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 pyrophosphate 41480 92207 70026 88106 60170 75813 33206 56747 101023 19025 32353 50856 43808 29246 439508 403107 390849 24511 32475 13486 14621 426131 334640 45497 21087 54258 42087 36711 57531 45075 20141 22848 25037 18210 23455 36992 26773 45015 31514 19098 448066 354019 464185 442664 251051 418924 198533 573160 410936 421009 333533 309870 302238 412414 252739 482009 437539 336329 296695 444366 524123 376624 364968 163499 465003 489015 229712 52929 81245 46079 56617 123367 49812 154213 30931 96296 79970 75249 138963 60256 66728 92359 86858 118929 139156 158932 142906 102501 57993 95033 79215 201955 15517 19315 7836 9816 5966 9707 9902 7224 11051 6868 8108 6424 9512 8793 6239 7745 9900 10198 13009 10498 11239 10222 9433 7678 9024 8005 486797 503568 165609 197801 13711 9038 8800 6785 13477 22752 16645 20143 17245 28006 28962 14255 29023 31162 24548 65319 16571 15780 18869 35705 23613 48605 47152 32318 20867 41503 35967 19086 33206 89110 18227 46951 34569 55897 36253 43030 36453 30774 33766 38595 36882 30952 13477 27634 12615 6873 7418 24743 8653 5128 9588 20049 14678 20658 11593 12507 6309 5978 5546 8922 10016 5398 6234 putrescine 4694 6537 5083 3997 4203 5147 4012 2033 7278 1104 1630 1527 1426 680 6645 1492 4734 2109 2339 693 1628 1757 1799 4700 5849 3545 4147 2652 4089 5796 3720 3553 5755 3353 3444 6470 4670 5932 5019 4166 p-tolyl glucuronide 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 pseudo uridine 16740 16144 7290 5690 6923 5042 4347 7974 6617 4293 2294 3172 2461 3624 8471 5020 5787 1828 1786 1272 3315 7136 9622 5348 8428 6774 9703 6775 5398 9980 6308 4976 6052 7835 5719 7552 5903 10804 10208 6858 25763 25021 6994 19271 14128 19024 21588 13397 31817 18900 4504 19402 11338 25559 30973 22293 10403 8611 23725 17765 6417 5434 16635 23258 13536 9680 3051 2434 1980 2687 70867 3116 2209 3057 2180 1862 2008 2333 1776 2492 3262 2348 3403 2425 3293 2664 2548 2787 2466 2488 3055 2222 9281 11099 4657 5546 4210 5646 6832 3465 6096 4019 4574 4878 4887 5004 5674 8258 5696 3057 6136 7196 6411 5418 6411 4855 6137 5008 15944 15287 2738 2307 4661 6009 5910 4101 3384 2093 1610 5899 3974 1025 2516 3210 2746 1893 3084 2080 1696 2950 2551 3018 2451 2555 2938 2098 2367 2535 1714 2182 2190 2495 2248 1936 1914 2444 2598 2149 2019 1537 2429 2075 2630 1798 1674 7268 18192 15104 13030 10126 9368 7132 4043 7542 8112 8404 4462 9272 14742 8908 6981 8002 10584 3998 8521 propyleneglycol 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 proline 132531 85046 183941 234069 145967 187206 185691 154799 173787 2123854 801467 563546 1285171 1004414 113789 72846 56352 1321114 601300 2168973 1184911 54271 87765 907397 620457 1533229 1446445 1942452 840834 1156335 2426906 895433 815133 445655 1657677 584138 815297 764166 492727 644366 8068 10040 15421 16081 19657 22533 8301 9426 7952 12770 24984 10138 9335 13699 14849 26909 20033 10709 12665 23255 46074 10328 10579 17903 8342 21678 16869 31494 24334 35895 24916 28953 18683 17254 18212 17244 22854 22930 16094 20037 16459 34794 33515 28183 29133 23122 27157 20012 24335 19900 19827 24689 446043 308599 199369 277687 132739 309659 289627 191673 158496 131952 113237 77797 148053 144334 229055 251724 348651 317495 274262 247548 341163 196566 238111 134643 79310 213817 14613 12247 20623 24908 157031 156477 240358 148149 87208 102634 119072 100715 99577 112772 99497 91347 91136 96779 67394 120381 82445 99337 122170 89361 33241 59622 110992 179108 48067 115028 101367 37632 98062 115450 62763 67050 112097 131840 75611 124900 69798 38395 91697 112466 96064 55176 87525 304159 421200 96448 104122 145799 153764 403511 102561 476608 374469 346459 237426 139523 123247 118671 158346 125406 185141 537034 104581 pipecolinic acid 893 1056 3450 1223 2256 1659 1539 919 1602 1555 1622 905 1803 2102 2226 1695 1722 1573 303 1700 1372 1837 988 6697 7437 19260 28136 32771 23070 23577 65869 9061 10138 8661 31234 14627 18483 14936 13222 9373 446 505 454 476 528 606 450 558 503 573 696 566 508 564 500 521 737 600 551 621 1079 409 571 470 524 775 606 1025 624 726 978 857 605 814 550 917 688 509 496 532 888 835 1954 737 957 831 719 903 520 530 1018 966 3299 3957 1234 2689 1213 2554 1486 1598 2587 1366 1536 1330 1768 1808 2108 2232 2580 1717 2124 2386 1844 1922 2162 1145 2328 1878 614 678 807 634 1825 1900 1513 1162 pinitol 670 2060 1122 1386 1919 1414 933 904 1199 623 349 416 188 2334 2850 1106 3117 5491 1374 448 5611 1235 1555 3435 5631 5365 2709 1656 1678 2295 1346 5105 4147 4216 2468 1882 2431 3692 4789 2355 755 1184 2089 1939 1588 2470 964 1531 5062 2045 4069 1477 1783 2900 2601 1594 1445 1352 1355 3094 2499 2797 1660 1948 1677 1806 1101 643 3076 3563 551 943 656 633 3746 4182 1635 4627 3042 13001 850 926 642 894 519 831 2229 1360 1347 2537 3416 1458 3216 1215 855 2539 1256 1344 1552 1162 768 887 1668 1469 885 1130 2400 94 1520 1584 1974 1890 7076 1987 1348 1045 1551 917 1764 2077 2959 2906 1945 1568 1441 1383 178 163 238 207 259 246 223 319 263 472 151 282 247 397 387 315 326 280 416 351 389 309 331 352 606 337 365 292 322 154 366 383 223 302 215 351 313 268 292 1369 815 1887 2211 1054 1213 1748 1610 1943 530 892 1297 2001 1566 969 736 1290 1558 1358 1995 phosphogluconic acid 5853 9787 19225 8789 7189 6618 3362 9404 4482 19994 2879 5724 4794 2802 5776 7302 6121 3471 6419 8577 7848 1755 7165 1609 4408 2105 3168 2202 940 3564 1267 1118 1525 445 479 2638 479 3115 2623 1754 3719 53850 45331 43720 1287 59823 42221 6101 2807 1848 9628 34167 46389 2706 32585 3639 8025 6822 1650 49386 53274 3731 2614 6051 38218 30555 22563 6082 16851 15588 16995 19146 11988 20793 2498 21349 11776 16493 15232 14609 12653 16925 18839 15454 5723 16282 21299 17012 14668 18591 23118 18680 4012 7316 2690 4564 2509 4285 3235 2796 3427 1862 1838 1711 2656 2356 2396 3339 3091 2641 3362 2513 2643 1913 1854 1347 1976 2637 2189 32306 18011 14686 2188 2263 2987 2032 2519 2735 1961 2742 2327 2493 2662 1426 1779 1888 2030 3216 1958 9471 6599 5068 4380 5170 2774 2541 5425 6019 4436 8058 4517 6675 4842 5149 4887 1047 1627 4924 3439 5462 1083 4909 1543 2989 5624 1112 1268 788 992 669 659 710 1305 739 997 1228 923 684 962 1227 624 915 776 1150 904 phosphoethanolamine 71542 83834 45439 70307 38714 61183 68505 28191 73587 29196 28565 29281 20846 10620 10291 13199 4053 13040 17469 7561 21227 15671 6544 2108 3009 1414 2789 975 1542 4119 1449 651 1630 1110 2320 1358 5075 1229 1933 2077 235823 228694 250483 188235 201396 210791 242875 239715 211107 194343 215484 191248 222117 208399 161245 203132 197733 200000 183411 241406 142678 171383 196984 161571 161945 162816 46810 3179 27312 28845 7749 38793 5367 30959 2178 16529 8104 34268 32973 9129 6099 6393 5075 3089 28015 11466 10029 40974 34708 44180 33373 33625 1221 1981 1095 2246 351 1815 775 1398 1621 965 683 926 821 571 828 1184 872 540 1171 357 1760 893 844 1845 701 740 204512 238145 26730 29363 521 1185 2302 1663 36422 35529 19182 29135 36372 35383 33000 16663 4795 21978 33441 33723 23761 55660 41832 49231 26999 35458 58768 34039 59446 34985 34093 44352 29050 50791 33700 38999 29926 34968 26178 44189 35961 37294 53464 41528 24315 33047 42371 2204 1316 1176 4132 1941 1307 3661 2793 1740 1575 1007 429 934 1503 3995 419 1768 3397 609 3106 phosphoenolpyruvate 11576 22056 14061 15798 11280 13471 7475 4463 82589 3427 6753 11799 10416 10859 13216 89839 4287 10369 8893 1247 8176 4693 1895 5966 5344 3921 6322 3655 4904 9054 8127 4959 4137 3658 6334 7925 8142 9035 5598 4325 40719 24650 36511 37972 8833 26577 77192 46617 10577 39448 13164 47785 45924 3535 3120 3688 41180 36664 56009 32518 7306 59782 65301 37686 57108 39426 2146 3103 10371 5559 4930 5016 3972 2553 3726 5116 917 5866 6484 6781 11439 4212 3669 6950 3331 7598 6485 5420 3942 7931 5184 3841 970 1090 1509 1103 3839 1304 1404 1991 1632 1614 858 583 1096 767 647 1170 1218 974 1127 1011 804 675 1137 1595 1481 822 45581 49714 4685 4430 1683 1186 4451 3074 33432 39881 8432 39617 10531 29304 13896 15700 34559 8892 18202 9433 55789 52693 35530 48140 59625 98663 81902 37625 36620 53449 36973 50384 66883 62286 21035 92377 111288 62717 101980 76762 77634 40924 42599 49828 68521 25144 27260 507 7697 883 6924 18049 15182 83 7324 20620 11438 5974 6530 83 5827 3781 6878 155 4977 2737 10320 phosphate 1112577 1430459 355375 1687676 1440996 750456 976102 1263954 908808 190715 336723 376561 459275 414231 1700487 2021953 1718637 440551 520979 346334 557359 1745480 1769419 192458 127698 186516 4744 85191 187719 194424 113364 198222 184041 147919 131606 155285 195859 161435 285346 189241 1664703 2077460 1758368 1810743 1716887 2421702 1292791 1828750 1478038 2277576 1941672 1586189 1948558 1942300 1113119 1768397 1770724 1641221 1609173 1452599 2403780 1843995 1457106 1496203 1709126 2160154 992150 776421 206048 648790 434207 813598 475060 986677 705022 1058985 841298 751227 779423 744634 649559 828515 510120 793184 1095761 749280 1024551 919269 636434 707797 774656 1376748 270847 302918 94074 173448 112309 160510 155123 112267 165316 124371 127420 113334 139134 127574 116988 196699 175085 170492 152008 135126 142604 137198 105715 107460 123846 127339 1370103 1739000 160407 810726 221708 138275 169545 98827 1172083 1068393 1257583 777323 1185582 1120711 1141140 1118758 1009221 958502 834237 948653 996757 924474 1111710 919387 285929 991567 1036360 438107 942870 1072910 831452 988963 829262 1064034 1051752 822449 1013450 1027272 966401 1082249 822131 953064 927192 1067254 1026633 875202 907362 134226 37946 19663 51401 67934 55441 60524 66684 51796 57994 73074 49855 40537 44466 77533 37753 44669 55050 61584 39114 phenylethylamine 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 phenylalanine 228856 234859 221702 273338 96193 255552 208203 148782 234459 554317 419157 300798 256798 106468 88206 66146 56769 226686 563296 259871 364261 65108 63312 272118 236059 246886 147273 101007 298987 259208 222510 336845 246443 216962 244306 300075 297793 307284 293890 254098 56458 26487 40019 50142 91110 42056 54044 41826 38419 38252 67763 46002 38881 40047 42803 43972 58355 49794 77361 46520 72803 48304 46335 84615 42511 47127 23577 81476 26422 57103 35608 38080 28783 36482 45684 27966 33577 31924 29849 30878 27126 27608 35984 32391 56297 21567 40352 34379 43604 31873 58375 25486 190682 180768 83549 104514 83314 105232 101509 95090 89318 64852 92779 77270 86031 77657 99645 104670 132450 94135 121089 111353 134600 92305 96426 61526 88010 89465 49784 51369 48877 50837 107904 101035 93681 71313 2751 4981 12018 12277 10930 6109 10626 12813 9017 12412 14314 9019 26332 156644 72508 90296 45768 94494 53385 108026 63585 61102 83518 118248 89220 77372 77911 83914 66593 89289 101520 58686 73650 117297 94591 92200 83549 150927 98267 86671 117703 127279 111362 105234 106141 110391 100037 110979 103716 90038 96668 84577 137863 117199 94698 101453 124429 104198 90140 pentobarbital NIST 449 2319 508 1839 1518 1091 1290 388 2732 756 662 402 315 691 614602 604840 760867 458 1089 469 558 248049 830722 315447 493149 187663 2368 1378 642 2365 533 201625 108194 236848 746 781 905 1913 134190 136376 1334 1935 216422 136680 88612 155253 89839 120950 118289 177620 261519 91706 141596 170377 125946 91516 114400 175818 89241 132387 187144 92903 99394 211219 59014 169087 634 561 635920 52027 166267 127953 49911 128104 64280 480185 177266 414541 558816 86559 201754 59093 73307 304114 36434 188682 59741 49155 148983 578774 269198 356614 1150 2079 117734 41323 181252 95752 31986 99516 78019 136464 43677 21045 50114 12878 22118 29122 52597 50744 36452 33146 39621 17230 36056 133072 60948 37400 125607 131194 181472 197834 37135 44096 271750 224339 332023 98734 364414 233519 378371 338571 274798 329355 364074 309433 305607 190032 292733 155965 573521 248811 649879 61649 956876 405307 109992 655160 235051 835630 55494 468094 783590 362050 815173 547601 498030 100267 96447 54746 233198 500068 404567 272031 478351 385684 209103 667298 1255694 96563 518355 460084 539083 147389 498838 173536 609154 615357 581212 452163 248980 229063 260242 157344 255683 pentitol 1419 2158 11654 6101 8219 12111 1179 1090 12741 9466 8101 7765 9751 7382 6684 6398 7597 9394 598 422 8419 8458 6624 1500 3125 454 2949 395 251 1520 473 1496 3067 594 1132 2218 1060 4191 1870 978 pentadecanoic acid 7840 9236 13421 19691 9294 7762 3865 4435 4299 14250 9905 7734 8235 6555 23476 4609 25319 21456 7033 7611 3890 30894 5669 43851 55269 45745 73884 57975 54016 46671 39863 33410 45622 37889 51685 73223 60776 73750 57067 40724 pelargonic acid 47671 53122 56889 61575 39661 56106 55365 37847 60338 14649 26736 18694 18684 15412 51550 98211 102386 16357 19716 11619 38713 85044 100711 88656 67912 65955 63170 64298 230852 80800 58036 67841 70141 110810 83867 106591 133887 70584 145637 153430 64690 86694 58757 46540 42571 36685 38669 131858 43924 47287 87773 33257 53246 30029 81591 82860 50297 88832 49727 71705 152200 76484 40063 46624 60581 58175 11757 39683 21209 22473 23335 39965 23514 28593 22070 20845 26363 25765 21338 18511 29089 29922 26135 42417 27395 27251 37349 25282 32421 11269 23488 32725 79545 59463 11951 33752 21824 25929 12022 20000 27907 12599 23935 23953 26015 27280 40722 37642 27844 25416 34086 22142 57126 42406 20992 21044 36030 20039 76065 36590 29385 34270 83705 43802 104257 71959 8842 8703 9919 10539 8124 9734 12293 6923 10869 10862 5920 16361 9839 14184 14619 13382 9434 16120 14313 10798 9528 18528 16094 15817 16860 14424 18601 25975 13611 30711 18788 25244 16572 8967 16198 50173 7104 14028 14547 13963 17163 41834 13494 5434 4374 11119 17972 7617 11898 11673 11568 16230 45028 11271 23794 69582 59820 86497 49987 parabanic acid NIST 4353 6679 10341 6918 7359 7098 7162 6184 13350 17452 6398 6431 5606 5814 6020 4759 5643 14240 7934 5201 9779 7677 3762 3454 3429 4795 6303 5855 4616 4269 3592 3565 5035 3303 3737 10501 4221 4050 6326 2421 7260 6688 5347 5134 5197 5431 5976 4580 4580 7655 6148 6228 5805 3899 4897 6546 6161 5622 5646 3299 7903 4442 4548 3794 5815 5541 2889 1812 2840 2655 1716 778 687 1074 450 2034 519 1922 2031 861 2893 802 4106 3753 1754 1268 912 661 1569 1119 1765 1946 5453 1613 2436 1020 823 661 724 568 4362 820 758 511 703 887 978 1635 934 576 904 1038 712 880 885 701 1304 539 3586 6655 1288 1387 934 1048 1226 701 2638 2380 1355 2023 1669 2651 1976 1031 1232 1743 1367 2417 686 5747 4248 11096 6496 9462 8344 3111 5985 4303 9291 6821 4828 3305 3203 5157 5187 4539 2597 2835 6109 5198 8128 5702 3617 6889 7286 3968 3983 1977 2247 1629 2699 1193 2689 1219 2736 2288 1212 1110 3154 2563 2179 1347 1540 3601 1507 pantothenic acid 5443 5952 5609 11337 8451 6685 6287 6823 5883 7372 5234 3920 5235 5670 4348 565 3482 4285 5234 3791 4022 936 783 951 7197 1007 3770 1730 1544 2173 586 1240 3727 972 1965 779 666 3546 1721 1131 11548 12536 19792 16338 15890 17471 17393 14896 15193 14632 10460 16167 15299 8673 16713 15836 21644 14376 14640 15654 16597 12997 12295 12535 19628 8314 792 948 848 975 876 1366 1129 706 1112 826 413 302 1080 798 711 946 1177 596 1337 884 761 1015 791 558 803 1056 1972 1198 767 1762 904 1049 473 1007 1298 931 427 1859 858 1016 1351 1436 1580 1470 1554 1446 1727 945 1125 874 1281 1164 16203 16039 1110 1013 1793 1566 1846 1122 8897 7243 6101 6784 9969 5209 9063 8935 8632 5654 6110 8694 325 5248 5441 3948 4748 5557 3734 1918 5764 3316 4237 3755 3468 6636 1038 5048 5215 4119 3923 5242 4573 5959 4693 5907 2299 5690 3272 1545 2178 1513 2382 1872 1573 2073 1834 1340 1523 1312 287 2446 2446 1886 2146 2225 2154 1685 1927 palmitoleic acid 873 4154 648 2346 3477 890 891 1347 728 4437 1657 3371 9504 18095 2409 963 3240 11514 13552 8798 4917 1089 1285 2241 5251 1608 6704 1887 1456 6244 330 1237 3020 8557 2662 14187 5704 2030 8076 5018 1370 2086 1386 1414 2635 2104 1117 1660 1593 1828 1644 1011 1260 1602 2727 2978 1336 1968 1646 2370 3543 1977 1081 1366 1066 1939 4000 2565 4120 3313 7764 4223 1169 3805 3445 3500 2075 2996 2167 1959 3422 4435 1320 3797 11692 2585 1983 1991 2049 1620 1854 7733 2353 18591 17898 4065 20815 13820 10855 15893 15700 1918 877 3551 8029 554 24662 45899 6444 12090 4756 6653 4328 406 513 1646 2105 2652 809 555 4363 4329 9286 9287 23735 17779 830 1152 1581 1711 1690 1441 1930 729 1385 841 1934 3422 921 3975 4785 2415 2853 2309 5827 3239 3678 18280 9282 9113 3608 7486 16401 3788 10830 4703 9906 7995 3037 5129 6545 6726 9034 20038 4657 2676 3205 1999 1750 2283 2146 2819 3693 2166 1392 2076 2670 2392 1952 3801 1040 1602 1359 2720 4061 palmitic acid 162603 237610 149769 154568 148395 106096 98187 99973 94029 634428 212042 272257 348147 338869 143350 149399 153054 236691 293036 256619 214384 128671 151675 116087 156839 76029 181360 95579 101612 93752 54055 102853 158922 217352 92150 204154 159251 117304 232959 171529 273929 352204 314637 287348 360793 357581 223976 264425 239418 393994 353317 244033 265132 320715 273296 347267 277711 299778 237767 314648 488381 252202 210457 270911 251439 300773 242650 190658 224895 204486 213279 220273 178037 248244 185135 279269 201006 171098 178529 173377 189283 193943 188068 206345 251461 206201 170576 186684 155572 168483 171984 243785 220126 408956 348943 246033 325758 327571 406030 349827 363858 143924 87070 140878 311915 86124 372345 556627 226896 281889 244055 213483 250193 128039 112227 119787 155370 159622 297026 307961 246286 224946 265331 260029 393124 312286 102627 134920 123392 136436 128762 140820 115484 95335 104260 127089 133488 157493 103313 314399 435549 297708 280206 250432 424749 267520 348106 361264 282930 359806 275413 368184 279361 349909 285591 267494 340175 354800 286346 281440 298003 372876 252240 302760 258462 154175 124139 150711 103099 82076 77117 62326 168956 114652 131290 94066 166039 104496 133125 117470 84347 99008 92330 97260 112554 oxoproline 5265098 6095846 4286086 5018221 6264675 5392169 4820809 6331502 5799718 1678986 1812445 1628024 1636233 1673458 2908238 5345808 4113660 1380642 1593025 2667797 1398906 6069817 3789874 1057453 800273 841388 1125604 473078 1440913 1469975 1027246 687780 758126 881665 1146697 1239816 1997291 1324536 941182 620606 7464545 7969699 7416239 7060707 6661681 6923805 7319976 7367821 7070093 7398688 6598581 7561593 7260998 7057957 6439542 6192073 8183617 8205830 7354096 6472680 6323388 7583826 8039798 6795407 8333878 6931128 1682402 1402526 1244784 1700193 1350397 1428035 1364621 1553481 1473055 1316548 1319587 1329304 1506099 1439462 1595454 1224946 1587792 1377053 1484674 1533300 1763654 1810419 1415615 1408297 1454928 1054485 674228 760786 350483 470096 308472 393493 463864 558020 438010 459150 370390 435007 409062 393620 449446 390529 432520 434657 585232 358831 574754 438102 489708 483407 465192 403473 6714778 6959703 1631712 1428539 454769 422196 489840 374215 2075122 1853102 1556495 2158491 2281290 2049638 2098721 1593235 2050995 2342989 1991579 2357456 1706857 1301589 921982 1142496 905322 1252053 1097286 940683 860835 1188138 1001991 2917788 1008830 1828087 1303989 1126405 1445660 1918683 881730 1005087 940469 979947 1050947 1222951 910123 1378591 1203007 1144443 594017 1767583 318795 379677 382031 440722 364214 558910 401087 327693 349553 406774 1626471 592498 362616 316601 365540 334718 329877 oxalic acid 4998 5589 183192 4145 3432 3805 3981 4210 4920 7233 3247 3058 2517 4327 2712 4911 5245 3563 3891 2135 4763 5958 6005 5378 2388 7099 8144 5099 5402 5712 9133 6800 5919 2850 5948 17424 4364 10809 36234 16464 604 1173 663 845 1352 911 940 466 418 927 968 1101 895 808 660 685 368 813 978 473 700 1296 578 930 485 1185 1054 585 790 123 521 753 819 892 1066 963 844 909 794 2360 1679 2070 515 1729 2626 2010 1487 1339 1247 681 1388 2354 943 2373 1061 1650 789 1461 801 orotic acid 756 1811 831 638 2827 859 571 553 1979 1579 2204 1933 2075 1097 2447 629 3702 813 1773 584 1670 1367 1137 975 3078 1023 1822 763 1050 1160 610 1177 1097 852 1008 2286 1244 3001 1813 1321 ornithine 117245 173100 321108 126902 64492 162994 153204 53908 176358 399192 1190323 951805 699663 173217 155212 81624 57758 599440 952986 284159 661712 98678 75747 607702 291204 702229 307633 217545 565133 365127 369338 524681 383222 260810 713782 867493 731364 903229 369618 258522 102006 42801 90504 105526 155534 60127 121726 99985 91324 114750 90244 151325 130736 64905 99383 65636 106783 99196 144594 61906 109487 135663 148455 131133 118809 117475 55993 42683 115499 164491 56946 67815 73430 81060 76162 133460 66632 92121 83798 56136 63470 49484 38081 54258 94331 64485 64422 76604 108627 90472 184892 91948 162356 254468 325782 336908 122248 463899 173759 471610 125532 271133 75683 256253 445040 88414 218843 251843 325695 297202 352325 100684 175058 111379 263317 279915 164266 275389 101820 131117 101610 99508 290462 303484 424856 310150 6473 4807 10986 3472 6422 5901 6152 10475 5147 5592 10832 3778 9103 476814 393301 365856 277226 236318 338043 418002 356558 278522 273429 358851 526498 224085 219191 313672 194886 297418 314410 288275 381564 417973 425478 459056 369478 239735 255788 12052 395598 171769 182130 265783 433327 137089 145522 266544 193571 158660 112570 175634 166584 160456 980251 167359 211548 116702 275573 oleic acid 2085 4711 5044 6201 11348 3981 4886 11407 3603 176905 20530 35120 54794 49228 5626 1539 2107 40407 71708 67170 22791 1539 848 3897 9017 3106 24264 2999 2603 5635 1057 2442 1970 3522 4015 14718 6041 10394 5586 3489 5261 7507 4520 5307 5113 19995 7463 4466 3951 8551 14235 3987 4129 5626 7876 5807 6161 4492 5798 4915 7984 3525 3606 1792 5532 5925 3726 4636 2417 2587 2438 2070 2930 3838 3926 5040 2683 179 2540 1409 2516 2516 990 1796 6301 1595 7069 1157 1454 2845 2292 3483 1504 11136 2587 4440 63818 71559 19618 13635 11016 2763 614 622 10460 3854 9822 14896 4297 6766 4566 5493 4087 1435 4713 2525 1268 1708 7653 5312 3301 12522 5108 4559 5760 5597 14325 1119 4216 20073 21166 4221 522 16825 14758 3361 5294 4816 15674 7196 12679 31909 28665 23604 59462 41789 47392 36815 7921 56616 27424 8797 49089 26859 32608 24948 32950 42403 4209 5999 45380 52987 34920 44106 5870 20651 23461 19301 19134 15095 1861 3313 21790 16419 16048 2388 2075 1705 15013 21670 741 16214 13297 1582 20401 oleamide NIST 677 1946 16761 1858 932 1133 1028 632 2597 14039 8309 6775 7151 4249 1700 689 1239 5677 9215 9548 5080 817 846 42004 9493 25363 8833 16163 9431 23231 11489 9144 7909 9394 18487 19409 33127 12985 7164 15533 1852 3502 3164 1025 1830 12859 957 2781 5140 4269 3929 2835 3634 2109 2087 1375 2451 2880 3980 2392 2724 1140 3218 1326 1084 1784 1115 647 783 995 1053 1278 804 924 616 749 646 609 829 740 639 1136 1290 696 1038 721 754 953 1106 1072 810 1203 6648 18667 5966 7020 5116 6811 10741 6792 5728 3612 4846 2117 3420 4173 4100 16481 13780 6477 18449 2823 6783 1894 2307 2155 4319 1781 2096 3117 817 898 3372 9840 4936 6200 1302 1371 3014 261 1930 1260 1159 1710 1397 694 1509 602 589 1887 2558 586 1455 594 2546 2355 1036 2018 1435 1774 1957 1621 402 2236 2169 2298 1347 9469 699 1095 878 2223 2862 1147 1717 4065 48753 50686 145653 178484 19161 158712 155733 99256 56161 87944 17459 58310 175379 239731 84552 1756 617 1184 1791 octadecanol 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 noradrenaline 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 nicotinic acid 16656 19294 56781 18065 8025 16646 15539 18257 24369 35500 11251 26492 25526 12821 5552 7143 6322 12146 29433 7135 10403 6892 6116 23408 20744 27462 21376 67495 27311 41792 21069 5103 9684 6920 42064 40958 23909 35275 7008 5445 nicotinamide 230471 317344 252631 210051 230762 279023 268601 194547 335558 173051 151017 260031 221425 162185 326924 236418 282867 149684 147513 75123 170478 295110 319857 9046 8743 8220 8516 2715 9378 11028 3822 9094 6634 6267 9464 20032 12338 15783 8336 10245 364248 286076 213469 296261 327384 237293 380340 280526 365531 296369 222295 264188 287705 299000 321632 299065 249394 188877 307822 276182 173931 291286 290029 247971 296158 262991 83387 72704 57766 82224 89518 78345 88294 95582 77751 62880 83176 77113 71888 77518 64180 66132 103381 39490 83623 78152 83105 78485 70489 69050 10572 63112 1688 2639 2083 1538 2369 1255 1303 803 948 1210 981 726 1049 867 949 1286 2029 1136 176 942 1228 1017 1236 1887 1562 1499 297946 293826 88631 94304 1657 1337 3187 2116 249899 175837 243312 182039 230399 194735 184613 222261 197472 184449 202257 187250 174656 252465 285776 267503 257793 239137 278523 226407 249655 234214 224244 233046 228620 259917 182188 204484 243761 189610 231492 290750 225843 209439 232127 269182 250861 234262 175890 2403 3254 4229 4822 7052 6865 4176 2245 3920 6203 2928 2701 2742 6056 3253 1883 3000 2951 3560 6092 N-acetylputrescine 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 N-acetylmannosamine 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 N-acetylgalactosamine 802 2180 325 1990 1938 2230 1137 1225 1554 900 1596 2287 1251 2021 1299 638 3259 607 269 420 973 740 1145 457 3125 1612 3078 1828 489 3079 530 1256 2157 770 2068 811 363 3341 3164 850 n-acetyl-d-hexosamine 6952 8529 8121 8782 9260 4665 5470 8306 6268 25161 23772 52990 36252 33156 5043 5938 7190 25996 21543 26872 27826 7103 4307 1664 12695 3811 6382 2292 1321 5681 697 1487 4151 1373 4599 5573 4187 6556 6773 3387 4015 3172 3736 3895 1579 2587 2963 998 1325 1058 2396 2344 1667 90195 77798 50281 93250 60923 129647 72229 111293 35890 58265 36855 29410 61205 87329 63456 37033 53507 46918 53712 67241 76675 62551 81125 60721 64667 43873 733 1007 826 824 1033 3768 1024 904 860 490 655 415 897 755 841 536 713 492 874 1138 N-acetylaspartic acid 7539 17480 4942 14758 4942 4580 6094 3751 16612 901 1751 1791 1510 8330 2353 1564 2411 4048 6792 1156 2683 1524 1518 1293 1262 1345 977 1014 2005 1534 1173 1104 1437 1260 1369 3439 1319 2939 1520 1739 2073 1857 1855 2315 2340 1121 2524 2494 1532 1369 1279 7890 2219 970 790 421 658 620 917 1197 696 283 472 8188 742 4114 339 719 306 382 826 552 368 554 560 1871 674 204 495 5895 1065 777 1035 842 773 806 1545 425 432 391 300 625 613 424 293 723 798 725 671 myristic acid 4218 5652 5162 6623 3292 3723 5214 3247 5160 5037 4330 8864 10518 8561 6302 4594 6776 10867 10497 5544 7411 4924 5610 8045 9577 6056 5489 3559 6880 5811 2998 6727 10119 16546 6210 15035 14530 6359 15863 12563 6584 15382 5980 8580 9062 11063 2413 11237 2881 10353 7757 6609 3064 7612 9916 11881 7885 10150 6879 12606 12363 6770 6506 8724 7150 5907 6218 4321 7257 6489 8267 2611 5382 6154 4067 7605 4700 4715 5918 3748 5408 4604 5105 6424 9698 5671 1917 3828 4824 4498 5630 7709 6782 10077 17807 7840 17632 11059 12612 13084 14237 3854 3380 5234 12075 3211 10691 21198 6738 8939 8398 7951 7714 3991 3109 5038 4545 4340 9033 9707 6823 5948 8581 8035 19630 17452 4322 2252 3743 5499 3803 5911 5748 4443 4978 4993 5428 7113 4747 6326 11866 7750 9424 7385 11432 7145 7230 12813 9013 11666 6703 9731 10947 9617 11186 8217 12386 11475 5632 8996 8493 9280 10309 15101 7123 9586 5567 5277 5514 4495 4422 4297 7025 5247 5263 4828 6199 4499 6060 6043 4523 6255 5618 7512 7305 myo-inositol 79379 121598 86170 117342 91943 50074 73322 111367 95444 136707 88545 108908 105032 137063 176030 174331 142693 64070 80423 72656 78701 139759 145400 150291 90828 123108 58374 78946 68481 79137 65930 130358 82383 76590 75509 65054 88043 77311 56686 71789 254324 232937 236670 170233 179536 271031 167974 235455 212874 148232 410389 180735 240946 237842 172658 168842 259280 272319 192727 260405 295594 265704 221459 362778 199294 243554 216588 148132 131806 178875 130593 162355 138906 164576 193208 138129 161768 130701 165358 152540 151479 124899 179580 107478 161486 162785 156850 191478 137697 149113 153889 130064 126140 100284 92694 122633 67231 129256 109009 89368 135683 76802 142174 64423 99860 93899 89228 164755 129231 84394 107096 107996 109210 72402 102452 80337 110564 124732 220091 219359 166453 158483 108383 102491 80319 84821 194164 149505 142823 81754 111971 84586 139895 140517 112087 122749 93300 89558 161033 257322 253760 242111 226136 269035 283576 183199 319553 246234 172899 338344 191803 309076 193330 207277 273401 240891 288768 286150 219899 229807 250378 271213 216665 204036 172057 143535 150537 203950 230092 223981 242014 247848 140234 202811 142235 194386 117137 210952 160043 118030 144487 140637 136435 126994 105071 methylhexose 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 methyl O-D-galactopyranoside 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 methionine sulfoxide 46281 57393 89176 52411 19895 51156 37952 16292 50056 18083 27634 24835 23675 11483 39683 38671 36139 30990 36784 11265 29597 32113 34024 51706 55659 49590 21861 18706 38491 76964 55625 43465 65755 33014 47313 46412 34019 40605 54293 42422 17693 9843 18914 21986 44072 18392 22820 13685 15874 24289 23056 19195 15876 14434 14997 17174 20847 23631 18863 14409 25660 18523 18289 35173 15079 22710 13905 7733 24647 39275 8770 14579 7844 10272 12021 16794 10489 14947 11899 8276 9747 12407 9157 12202 14844 12820 11253 12266 11077 14369 29246 17343 22962 24368 19153 31276 10742 27357 16919 17411 15184 13142 14718 10876 8467 12638 20070 28759 11906 21361 26500 14468 18285 16680 13545 13993 17639 7161 23236 25059 19639 19528 19635 19251 23908 18563 9352 10224 9096 7021 13436 11387 11529 9234 12612 10267 11358 9293 11842 21566 19774 18747 12027 12790 24544 15760 11790 30086 16333 28141 17560 26452 25663 12917 25266 22359 23633 14037 13892 10164 20090 22384 16181 22534 24352 18142 21221 11030 33066 10347 10283 11151 33119 15771 35214 18487 34935 32556 8395 10786 26363 18270 8573 21094 18467 methionine 147245 147016 93261 167531 69699 176294 132361 102470 163511 491912 298294 224957 267705 185814 38146 25260 24212 235887 345677 346585 305783 29347 33869 255127 168086 238891 179630 112384 228021 246675 285607 300230 288069 168863 231551 179233 220857 240267 213985 278997 26048 29761 43235 45610 32352 39993 33749 36513 24551 26980 60660 31679 31875 31269 38657 43604 63020 50628 37607 40498 68533 33864 38720 44363 35089 55628 25980 46577 20173 22645 37369 32936 11291 28788 32558 20292 37944 22834 23406 27229 24162 20565 40431 25088 23761 22291 32673 30698 31264 17777 23353 24784 147762 111532 86380 114453 56064 95754 113440 75515 60624 44716 73838 55872 63440 59205 94464 138929 128758 110880 153121 101073 136544 77906 84532 11587 65380 85951 39489 40322 25914 31003 89690 81928 56832 49983 9291 8138 18844 10224 15405 5731 12542 15226 11504 16311 12256 10444 19010 83451 55680 63637 42364 60392 47680 137002 46021 45346 74934 91394 67587 62181 81349 65346 44826 64091 80609 19626 72228 60835 67118 58204 92440 139954 100573 70223 140918 92777 103812 83625 93580 113169 99026 120614 107421 101412 65815 70724 107291 117328 104493 81401 112072 146387 57515 metharbital 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 methanolphosphate 33059 44591 12408 31962 34328 33417 25595 29361 27961 7963 8655 10198 8831 16521 47192 43644 42466 8756 9231 6626 16679 42486 55675 13301 10560 18665 15261 7677 16503 13787 14005 19495 18264 14078 12358 16957 15106 14693 82701 21101 179084 197409 120073 114613 134314 179651 151449 140653 123091 172927 81091 131661 134714 119058 136890 182680 153062 136752 122256 154642 57457 105908 131561 49206 129144 94233 46718 27498 38688 23738 29904 43135 26658 54731 22834 49315 29599 49591 39755 27929 19736 31016 32416 35955 50967 24480 40342 41849 20254 34694 27887 59137 18461 14081 6995 13986 7961 12123 3317 7891 15217 9837 9575 9336 9533 9434 8784 14612 4134 13827 13766 10567 7119 12449 10381 8231 9567 8284 179702 137888 39043 34427 16782 6818 13461 6865 15371 20668 8287 18051 11508 22883 26277 2093 6165 9309 11471 5109 7136 15208 2286 15988 18829 28653 19149 13736 19366 20754 31342 13783 25142 16745 19373 15424 12554 33348 14470 14004 18394 23094 25086 20719 25438 17701 27156 125 18646 12713 14152 4997 15068 5804 45677 6476 18816 26697 9857 6149 12723 28570 15911 9414 18861 28358 9890 melezitose 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 mannose-6-phosphate 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 mannose 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 maltotriose 403 591 2821 7382 13468 365 1744 858 1501 52004 112026 686802 309006 357098 9683 7374 3700 774078 283365 26663 242860 7405 9353 1244 1877 5095 4834 808 570 1690 1027 578 754 1167 1255 527 941 848 1384 588 4769 1132 5786 8167 12084 9934 21753 7272 24933 8039 3533 2396 8949 21645 15746 10318 6690 7384 12258 12392 18452 4645 2873 12230 7203 8812 52035 10428 57964 69510 19898 65727 19685 36020 22394 60670 24423 53657 68017 20517 10512 8850 3074 11666 48487 16312 6321 40964 65223 49722 30415 65695 318 314 146 132 141 127 129 109 226 126 107 125 124 62 126 174 150 209 217 284 152 160 218 113 112 157 14876 10137 53366 54643 264 171 137 119 122 7698 92 27327 1883 2541 894 1290 13875 3450 4513 14277 927 509435 493846 349500 511469 531570 633299 399925 485288 503876 407483 493630 342091 551999 535192 524387 561291 424183 426676 505534 413179 516035 409568 521281 451647 374818 436128 265 527 269 74 62 3117 118 88 70 68 2062 47 489 131 167 176 99 564 642 111 maltose 5659 5295 8619 9599 664903 4617 4835 23817 22771 1846745 2795795 4013807 3136614 3890445 147215 107250 74094 3489596 3112393 1327858 3218228 98573 146065 1811 4587 2534 6365 1719 4250 1303 1462 1005 20318 9321 3013 47787 2988 4680 2087 1102 78944 31989 27088 65878 101557 62801 154961 54799 87298 46310 63081 34208 43668 100209 110391 73926 36499 34370 55137 60443 91724 44595 46513 60886 47839 113030 360857 325680 385238 535512 381349 547069 683870 265284 626993 420314 495369 471232 604067 474020 231949 163395 119701 249805 327736 188153 378501 365980 576449 447608 257795 550659 4662 3218 19317 1710 19701 4164 3158 4628 2440 12223 1655 12521 6424 1470 1761 6307 3237 5107 2008 2137 2584 2489 3555 17738 3895 2000 78572 84168 570664 495519 7330 2611 32634 23082 10646 97547 8589 230094 49894 60114 18903 30998 149792 56303 86726 125614 40217 2677564 2308004 2307455 3464258 2600123 2963674 1981397 2386817 2266457 2044721 2361654 1921268 2729682 2380036 2625692 2410534 2425767 2099182 2554079 1768136 2254415 2340611 2174159 1926065 1775392 1997152 2817 26914 4268 2343 1450 37105 2047 2187 1107 1197 13405 2344 2952 4367 4034 12218 3452 3002 7992 5139 malic acid 84351 96202 20100 69819 38414 60119 31895 91963 39398 343423 259650 352949 216121 185177 301579 297342 346567 157958 261403 54987 310250 365572 368254 10182 15346 33827 10772 10340 14970 9304 12422 17031 9525 11016 8581 21340 11003 13149 12903 15432 47938 59412 243836 126462 34874 108734 27702 94080 51188 137680 152406 80759 116681 39385 69355 108977 180101 221465 64122 88642 117891 75833 87922 53157 73804 112332 106351 57560 25239 40426 53243 66972 88762 61431 26962 39393 15583 34936 34595 63758 111908 119325 136370 124328 99930 47428 89827 91476 74794 81979 63346 35200 9791 12798 9345 12725 8837 9615 6475 9176 10087 4605 6810 8852 7979 4014 12852 23184 16249 12141 6142 11843 7065 13351 13323 13158 9364 10235 95743 95643 76197 69471 11741 10896 13787 9803 12783 18797 22962 11382 16144 6398 17040 16252 19884 12813 9588 16074 26285 160780 236466 208778 117722 83752 101116 111082 178248 98674 121773 146729 158040 31390 68238 100897 97568 84795 139693 80071 140037 62547 159503 172341 151687 21513 341366 12052 5133 21227 15731 10298 35317 11887 6723 11713 4026 6236 8887 22363 10544 1775 5019 8176 10392 9556 18326 maleimide 6806 9484 8510 9509 6108 7649 5104 8028 6617 6532 3127 2694 4098 4874 935 1132 2518 4101 4346 7163 5259 1584 2639 15389 9634 7924 8243 5865 5227 12282 6703 12568 12325 5771 9551 12873 7968 11419 21558 11031 14609 18038 21064 16982 22479 41891 10706 13420 9539 12760 41880 12825 18649 16275 19222 24930 16916 20144 17539 11838 92719 25531 19112 27360 10889 29185 4171 5959 3887 5325 4248 2731 2791 4855 5238 8466 3349 3700 3209 3870 3032 4858 3697 4226 5120 3792 4966 3196 2779 3808 5863 5632 11302 22438 6208 8663 4806 9713 7260 5593 5943 4369 4079 4661 4696 5559 6693 8704 8146 6453 8330 5355 7825 4643 5332 2941 5146 5343 11238 10582 5136 5246 4426 5606 4334 8025 3782 6936 9431 3544 5565 5770 7856 3617 2932 1980 4744 4098 3139 14798 14885 9580 6606 7474 14972 7105 4506 16266 9836 16138 13527 15718 16697 13689 5131 8246 5924 23180 5550 16173 14699 18900 20110 6727 8261 17280 1434 324 3506 10749 2363 3076 3585 5549 3245 2977 3498 5429 3082 4148 5371 9699 4795 2919 4900 maleic acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 lyxose 3761 5742 7186 979 1864 2961 2896 1429 3736 3174 2304 3019 3380 1227 9770 7122 4359 3106 2931 2639 3782 6777 4676 10195 4410 4002 1395 2815 3892 1708 15008 74449 5394 8195 5006 11371 14458 4645 7951 8559 7450 6616 5716 7537 10336 4696 3842 8175 5902 6541 4896 7977 4687 4995 4799 3554 3890 4788 9144 5275 3845 6434 2867 5670 3642 6675 3025 2649 7827 4889 6271 4608 2722 3205 3852 5018 5994 5009 2868 10830 5892 1724 2022 12184 2297 2887 1340 4133 7944 5579 2129 5147 7454 15904 6353 20660 3314 1941 1489 lyxitol 17900 11087 18429 15328 15212 17503 30840 9448 4165 22594 36816 54375 42466 18545 9776 7494 8684 33071 24320 11768 37711 5869 9249 16802 14513 20448 5433 6090 9980 17499 1964 16686 11376 13883 14212 12441 10327 4200 16256 20040 3151 5066 5875 6893 5572 7463 9415 13019 7325 11118 5241 4634 12691 5258 6442 7218 7595 8762 4885 7633 10325 4110 6439 740 10302 7284 4631 3158 5701 2883 4258 4760 5760 4480 4509 5150 393 4745 2482 4014 5939 4824 4447 7176 3777 5608 5190 4000 679 4690 7547 5032 9217 8703 8071 7691 6229 9906 6653 7027 6522 4683 5977 1593 7196 5578 9047 13020 9715 8928 7532 9889 11723 6632 7402 5293 8887 6560 6822 1363 433 4240 8242 7795 7633 6487 6374 12814 9443 11630 10333 9655 11716 9571 7748 10077 7682 8162 6952 6972 4950 6956 7892 25854 10125 6591 5899 8733 8380 6796 6905 9350 9638 6875 9487 8432 9805 6966 5609 8665 1815 29477 10393 10482 4210 5770 8368 7577 9095 9317 6068 8747 9374 8844 6816 6604 5740 12307 9198 6825 5579 7300 6723 6965 7874 lysine 374603 158980 200616 233636 185439 183083 135530 128936 179206 706609 416007 313232 282421 324739 116679 41462 27424 256073 366614 307036 287479 43330 30465 827815 939422 760532 927094 718564 794356 970749 790301 876276 787532 713312 699596 783970 471501 1180428 1001143 632739 186364 193453 192717 286625 224559 173725 198383 192082 178372 215816 164327 163853 190807 157090 157833 138147 172727 139624 148542 17337 204971 258304 233695 202781 197553 229652 109977 44806 170491 228198 95206 148409 98814 10311 61828 148295 92336 97592 83360 76380 88080 119642 65823 73890 117840 110585 114306 120853 109414 111324 172861 176344 816167 1482448 598703 1567245 231449 895185 512895 650242 715963 477253 329494 391676 677564 382248 776206 746064 590298 482610 676491 262217 789824 738879 633542 446909 633012 700177 211762 231126 147059 143632 725935 774530 760323 607239 45255 60005 23883 40962 77194 98658 72679 54504 55552 57874 83382 73981 79655 386801 365187 347741 171307 393978 280157 241239 367699 431621 259940 192996 581835 217890 206179 354646 329639 187009 316589 508877 427586 430785 390095 328438 285992 319158 270352 207894 1021288 704053 536134 801492 441590 664092 1080384 509284 1509311 1200071 1196040 1185169 970970 1187538 1719506 1124467 1193519 1383486 1439936 linolenic acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 linoleic acid 4752 9994 10891 14010 22771 10855 7344 12210 7705 178080 22080 30544 41101 25777 3771 3390 2672 22210 41681 39805 15907 3905 3663 10485 10576 5188 21188 8809 6360 4375 2853 7599 19270 24060 5217 23534 12115 7614 27195 15203 19527 8755 12073 16092 17212 14924 28606 17571 16023 17567 14970 12076 10090 17538 20999 21120 16537 14836 18289 16529 29189 24573 10254 5270 16235 21092 7602 12128 5873 7910 9518 5381 9192 9055 9058 14117 12554 7332 8203 7862 5477 6674 4523 5182 16262 3481 3571 5517 4813 8417 4907 11716 12302 31610 34545 27574 36827 16211 120915 55786 55301 11638 3423 12791 58455 1322 48182 43389 27127 30071 20791 27370 35279 994 4215 9891 10939 6468 23209 9927 7637 9436 32397 30382 37231 30608 37605 41914 46027 26343 26102 16848 15160 24814 5474 17140 32962 24891 17659 69211 111599 45856 48885 32106 90656 71633 83389 24747 21313 43874 34106 35352 29390 26530 21691 16949 33163 41412 36057 33115 46336 53948 33344 27254 29322 11213 19631 35639 22986 17611 11973 19829 15821 14427 15179 11882 12418 5309 7054 16620 6915 13853 9852 8565 8987 levoglucosan 3688 2900 2378 3608 3160 2923 2315 1852 3770 1080 1180 778 876 672 8248 8519 10634 982 1799 537 2004 12528 16887 1368 2806 1336 2496 951 1929 1342 1374 2186 1433 2086 1330 2890 2792 3257 1826 2939 10024 10597 2203 6594 3909 11513 7304 6422 8974 8982 3169 5848 4638 9609 8919 37145 6199 9523 11577 10699 3914 3358 5280 11668 5522 4069 3159 2455 1771 1352 4511 1729 1972 2400 2669 1983 1789 1542 1771 2618 306 3994 5903 5068 2753 2980 4411 1961 1372 1286 3547 2529 1555 1949 877 1234 805 976 896 717 813 697 794 788 823 1095 915 986 1002 701 1061 1033 1161 1263 823 819 726 835 7107 7572 3167 971 1016 894 925 549 leucine 1430615 1227941 1595430 1877575 1648084 1364755 1230118 1775159 1326801 1958511 1930716 1519937 1375875 1493620 710803 515555 390800 1846036 2324664 3533828 1907660 484578 681961 1603675 1290775 2423097 1897333 2018570 1466337 2183134 1848308 1852244 1320537 1260301 1974234 1448170 1730170 2025106 1943091 2024286 164349 168060 218609 238913 397164 216509 125537 162888 152107 203107 254408 182660 188380 158978 250716 308768 342309 305789 344048 252123 400008 171814 170763 271168 178334 302389 227684 424590 268441 344204 262416 256697 177258 224273 289626 227691 267728 249975 202402 213423 215632 273021 262986 283505 312201 258830 268186 227188 257081 207095 300483 237802 1189184 1016837 542761 822760 493581 776275 534428 517118 647969 458006 458488 542852 557127 425743 765522 1032880 912593 839393 854680 805607 998949 620631 597386 477199 546581 696703 257795 253153 296255 313502 645965 614466 656859 473889 137710 107237 117046 106755 193259 83222 159551 163154 138354 121876 129736 92098 118950 657288 431053 599949 379360 587448 423658 936881 488935 538863 747743 898517 699348 576185 804685 627869 591026 650865 709427 369717 643754 477948 208883 523724 690014 982900 810041 426888 940397 700220 625778 707614 574922 714219 660112 727246 892214 731867 653979 788325 816963 658072 603781 442125 782546 908828 530281 lauric acid 16431 19826 10653 43270 5535 11993 33029 4941 22553 6839 4595 7677 5311 6180 11507 12544 11968 6552 9972 1689 4771 17753 20170 19738 21946 9828 5950 5982 16432 13851 7911 10271 17706 27658 11376 26525 18450 18140 16312 15224 21288 133266 12823 20637 19405 22018 11598 123852 18854 20435 34843 22239 16910 19079 67315 59434 22164 74296 19147 26550 41475 16970 16993 23965 17482 24425 17228 9242 6159 18250 22086 9063 8477 10369 15858 15611 11085 3517 6350 10631 3662 10481 14682 10409 8191 11888 19631 6140 20287 4527 3733 10931 14241 12262 8484 5850 9587 5181 1361 6157 3747 5992 6787 6559 9023 5881 9585 12629 9520 8051 9767 8222 11118 7197 6108 7642 7903 3771 32102 36268 14131 11452 11049 9171 3142 6658 14147 14846 20607 14162 15040 20451 19232 7464 8785 8919 12572 22394 11676 19784 14960 14734 14047 10728 17434 9462 15385 14433 3568 22752 14211 18408 7874 9095 15538 5853 9318 14559 7619 15976 11998 18112 15924 15414 9707 15298 11881 11933 14302 14154 8200 12001 16674 8747 12428 13300 13029 9460 17632 9708 2274 13137 4897 24495 18946 lactose 945 768 502 2110 8666 1439 859 1040 3175 15312 9976 28524 48497 12735 1388 897 2144 12599 29449 14126 10470 1021 1074 854 2405 1536 1123 2079 970 1070 1131 871 1419 1433 1916 845 1408 2373 971 1413 lactobionic acid 4643 5961 3896 3967 6240 4048 3695 5700 5642 645 1607 2310 7708 2295 465 1108 901 6084 810 1173 1944 715 430 1640 1398 1228 1009 538 2873 759 889 650 771 746 1540 691 1238 2413 679 801 lactitol 1758 554 746 4234 2501 1860 670 675 1360 49652 29999 35257 28769 20448 587 766 829 8399 12192 27719 8054 625 645 742 2017 287 824 112 703 719 388 512 599 358 850 1704 713 999 996 505 286 616 352 626 218 316 540 376 229 533 385 324 199 8629 12290 10264 15794 10368 11705 8978 9721 6646 1243 10341 9401 1564 6586 9695 4091 6692 1930 5974 3055 8869 10795 2079 6054 4726 4834 234 268 188 113 200 1459 133 230 260 189 150 117 157 214 168 296 163 184 181 325 lactic acid 2048144 1274096 2292040 1807780 2525244 2145546 2742004 2240952 124106 579548 740450 603004 650320 661311 2562252 1935995 2622852 697727 502801 393268 575184 1732224 2043462 2815194 4570623 4664392 1784260 2952894 2286667 2107094 2306396 5439363 3446968 5065927 1933491 3630227 1569499 88291 2214927 5181620 1671935 1826032 1418270 1762054 1903568 1652767 1817773 1930894 1333862 1664975 1452700 1626145 1217918 1853061 1649413 2075607 1631035 1389617 1146791 2038732 1236870 1763055 1514575 1390768 1637325 2144499 708357 972268 484795 440863 954728 655960 830522 297644 763362 658697 720157 946977 631510 884887 894691 1541451 940044 1088124 586276 954268 929518 746221 611410 670566 582758 815481 2476342 383582 2495825 2306187 2176989 1754716 2694766 1702223 2129352 1614850 2486390 2424065 2117311 1834439 2878735 4804306 3311803 2654793 3338842 3171202 2021239 2538955 2225111 2054365 2773601 2856150 1747223 1916336 527278 587626 2779497 2737240 2261495 1942443 1547034 1966165 1326441 1401133 1489405 1612859 1175275 2057797 2294399 1692184 1442478 1910238 1905367 773912 1167614 1012493 1378978 1496870 995550 746048 1040608 1616101 1306378 318072 1475163 826360 1058650 925312 1306097 1140462 621369 1852741 600970 1365909 994279 1104834 835230 1313822 735024 2824874 822654 2009827 739071 2454250 3304306 2295251 2030837 2129995 1329547 1138844 1988076 2997261 1153682 2141453 1685972 2943432 2117826 1386471 2613892 lactamide 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 isoxylonic acid 708 3661 971 2424 2564 1154 761 549 1656 9912 7696 11241 9527 5259 62096 1267 50368 14554 12914 557 16137 2374 45338 1277 2996 987 2735 781 967 1956 521 1024 1460 991 1465 2487 1163 3308 1765 1627 isothreonic acid 3156 8003 51305 3113 4699 6480 3089 2587 6026 7331 3989 4289 5971 6129 47023 56794 51470 7848 9208 2592 6426 57580 47033 6423 55029 6818 51910 18181 35655 7612 30172 15444 7567 29957 44986 9532 24844 9492 8132 7567 1688 942 2280 2194 5605 2790 1933 1391 2366 3311 4412 2213 2002 1726 1289 1405 2815 2895 4830 1951 3086 1618 1510 4920 1491 2341 1081 1467 2362 4337 1279 1483 1775 1222 1393 2216 1372 1783 1083 1107 762 1448 2000 1938 2593 1496 1962 1280 1071 1363 4047 1640 4612 3982 3141 2401 1621 2667 2897 2623 2708 1715 525 2019 1600 1986 2939 3155 559 3099 3481 2804 2715 2486 2799 2547 1952 2550 2970 2745 1849 1921 2470 2268 2471 1781 776 443 854 403 511 822 500 405 428 374 310 550 387 818 1354 1183 1363 1522 1288 566 1098 1033 856 1267 1031 1591 734 926 924 780 854 1379 1000 813 973 1012 899 880 856 3238 4584 3242 4046 3572 3421 4687 2515 2909 2746 1847 2273 1982 2777 3102 2014 2474 2880 2427 2951 isomaltose 2868 1404 1439 7958 1332 4523 1423 780 2822 6651 8188 8069 6922 5571 1237 1885 1061 6896 7004 4138 7435 1330 1361 1496 1697 545 2962 1229 1347 1342 1318 864 916 1349 1514 1845 1573 3491 1558 576 216 220 210 101 242 256 107 111 153 121 153 271 156 2404 2740 2916 4366 2341 2929 1986 2938 1393 1518 3054 1695 2279 2853 2712 2271 2283 2319 2450 2731 2655 2800 2402 2303 1961 3359 652 129 129 140 173 289 119 105 201 74 118 122 138 178 176 201 127 159 213 183 isoleucine 563198 547904 778096 662507 518534 604077 541076 674369 575258 1321033 945653 743504 733442 667510 277702 232305 164928 716704 1157381 1458945 900929 210921 243311 760059 509198 968462 797826 777581 898374 769273 700728 787413 561733 603721 742898 664070 865889 970938 899958 819205 72700 62018 81407 103905 177004 82597 53346 71761 69450 85622 87552 76105 83222 69951 101778 97416 134362 114623 142351 110933 161686 89831 62821 125563 72121 155170 48807 153842 110328 156607 96857 98091 78810 95554 121888 96811 116020 112256 89744 89336 91144 109342 104400 89436 88047 108010 107599 88795 105814 90515 131859 110920 605287 517670 238076 407184 222369 337907 237046 252778 269403 213641 199910 257610 270358 203965 340470 440088 358900 359145 399571 370204 419487 268708 287807 253670 255277 354809 108679 103120 127676 126600 320223 302904 284241 212268 60471 51779 66507 50155 86499 45337 65672 76585 36414 53519 50680 31394 57085 238941 157525 191670 142679 208751 155553 296402 168409 203458 243076 307228 234325 215853 277034 191681 214370 235728 225302 139377 197538 157518 218958 184498 215107 358284 268184 242457 371805 319694 293866 307187 243089 298345 302050 296293 355002 330718 268855 401405 407145 333278 312388 210535 343824 381649 256868 isohexonic acid 614 1694 1708 501 1895 2033 1083 314 1111 1022 960 1505 995 839 2561 674 2941 380 918 1129 1149 2920 2270 522 4283 1257 3394 1611 631 4458 497 533 2729 926 1391 3640 645 2806 1734 760 440 324 393 658 2836 404 337 388 424 569 1076 541 333 333 222 659 425 515 509 509 1443 373 565 534 288 520 2529 8740 652 2047 988 1417 748 1284 1457 968 1769 1339 1706 1564 1392 2273 1860 1207 1188 2140 2208 3299 1302 1150 2052 1907 1249 1156 812 1044 763 1031 710 722 712 427 704 457 564 563 1317 899 808 637 1297 1052 1947 943 866 395 750 452 690 717 1561 898 750 969 768 598 101 110 98 61 105 110 81 369 445 127 169 103 103 5561 3051 2120 180 5658 3333 2044 2079 2077 1841 1962 2117 3154 2008 3735 45 1997 6390 2494 2927 3582 198 1541 1285 1818 1953 1315 1086 1507 752 1152 1510 1306 1134 1206 853 668 959 1141 895 429 640 730 612 750 845 isocitric acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 inulotriose 272 258 230 3159 401 1276 1049 117 690 391 689 1042 644 2055 4181 3026 2280 762 889 98 654 2968 4614 1188 3510 239 2218 679 428 531 1118 260 371 395 368 269 497 901 3568 518 8236 31812 5523 54025 14076 17768 7463 12659 27006 20049 15626 28102 15273 286 416 150 342 212 552 382 6173 392 216 7022 178 10035 405 509 4948 250 12578 305 152 345 433 270 966 211 291 324 148 75 107 89 65 139 42 105 71 105 68 52 114 132 118 116 67 51 83 inositol-4-monophosphate 1458 2093 9744 3576 1887 2109 1602 1668 3170 13663 1317 3874 3610 1757 4149 2846 3624 1635 4238 5756 280 4897 682 896 2572 1652 4244 1176 1101 3834 655 845 1447 1086 1357 1591 874 2227 1744 1507 27257 34828 31360 23432 20446 37763 24661 8825 13438 30344 27146 18944 18848 25436 11679 26756 35234 27674 26385 33654 19832 18394 24508 22098 23094 19006 9759 9485 7110 10289 8588 12151 7509 9177 9568 13050 5121 7453 9513 8425 5352 11094 10744 9045 7879 10632 13711 10261 7600 11755 11736 12736 2654 4495 1459 311 1320 2413 1726 888 332 1288 1331 323 745 1157 1006 1857 1219 1439 1908 844 1737 1515 1231 356 1233 735 27162 19391 10036 6385 1758 1524 1232 420 1567 717 989 1989 1506 1756 514 810 484 1090 1475 1081 855 3146 4219 3657 2763 3667 493 1827 3146 3929 3427 4753 2308 2782 2482 2752 3344 2507 3979 3776 2490 3455 4578 1878 5406 1328 3677 683 852 545 330 532 91 483 843 535 728 750 884 352 838 811 491 600 843 712 475 inosine 5'-monophosphate 1762 550 191 624 360 1643 491 394 866 652 209 180 652 969 7205 15112 10086 409 176 156 582 14023 10597 656 970 298 1256 487 471 658 295 592 297 733 575 437 467 866 309 341 13440 3757 823 361 5468 161040 25620 3547 91260 89872 47378 201298 56413 5114 7885 3866 6344 5748 1527 5065 4797 474 3568 648 179 608 534 3221 945 3181 1311 4604 980 3123 891 4820 4382 644 3257 312 361 286 335 347 456 130 220 158 310 143 121 195 195 189 111 239 186 213 130 inosine 174463 228637 188433 201744 264483 234806 177692 240798 245472 668 1307 3130 2575 1253 164117 82878 94890 746 1497 1450 2109 183841 118522 352 745 3139 371 722 759 849 316 1197 1136 527 428 605 338 1529 753 978 941594 552917 306395 518371 1166596 499665 1228276 603064 1262631 660643 1084237 533606 699960 1016549 1283672 961486 397683 316745 928865 746936 655004 1016214 617393 968560 661154 1249650 296172 195889 217705 253008 247624 253708 225975 249424 224652 199115 199475 227400 209337 186068 219206 159890 216048 148475 366587 189715 142383 218277 221702 236288 148895 165919 1251 1156 331 303 219 196 509 137 184 98 209 194 270 496 374 365 375 591 211 219 189 311 205 156 213 137 851440 835301 233867 207944 960 310 320 264 705573 713962 628303 570611 658184 502945 542613 612082 597311 478237 595222 450677 393864 107792 144622 138298 232685 256041 251168 152291 152708 249542 167686 190942 199844 206806 147173 184227 236880 189829 207779 246064 176235 162069 168653 172550 219065 133508 138742 2684 8533 491 3830 165 8845 700 185 696 616 6533 898 10449 6194 667 162 7727 11986 588 1307 indoxyl sulfate 755 1964 499 450 2195 1355 1848 808 1835 632 1067 322 309 356 2270 460 1198 1929 899 350 2310 841 715 10867 11845 5618 5631 3134 10720 5778 7545 3778 3873 2138 2695 5147 6118 3343 4061 2661 475 315 419 578 723 1014 651 896 697 776 1880 414 539 655 509 759 1088 630 226 343 1676 320 474 526 522 1198 291 608 330 364 318 329 594 522 507 630 887 519 413 685 616 365 198 437 443 269 349 367 375 487 396 542 4992 2634 1224 4785 1176 1635 3787 3147 5416 2840 1512 1533 5348 1627 2346 2291 2983 1156 1286 1153 1688 1360 3096 698 2367 3929 587 585 559 481 1910 2306 1394 2107 149 125 106 133 138 98 144 111 135 178 97 69 164 1311 1030 1527 839 1088 1473 1164 935 1154 899 1378 1296 1257 177 208 1166 1297 1236 1402 758 1211 1520 1409 1785 1656 687 11306 11132 9691 8671 7708 4296 6254 3046 4340 7012 4872 3742 2948 6224 6914 5148 9567 3743 4965 1871 indole-3-propionic acid 845 3714 1590 1523 1946 1449 1478 1874 1559 960 622 1181 963 687 2918 762 3727 490 961 159 781 779 641 28393 23992 16647 46076 28969 51509 50218 23626 57152 36612 34621 13345 22198 26109 30719 40793 40866 1796 1581 3393 2046 3039 3446 1929 3462 2188 3278 3901 1061 1816 1566 1740 2897 2778 2493 1435 3185 10073 2662 2673 3197 2886 5141 869 545 730 521 882 1145 702 696 628 1837 528 578 707 1012 601 812 719 815 604 842 708 426 637 1199 943 1420 47237 34904 40593 42415 44388 44860 26118 35303 46723 38101 19550 18732 28952 15845 35414 37858 36302 28217 29315 44538 33847 25592 39840 19509 34623 23090 3056 3179 726 651 33233 31752 53904 43415 2989 2496 3531 2037 3052 3314 3234 2950 2244 2243 2396 2737 1986 685 720 682 789 290 432 350 573 1328 656 381 1022 1143 516 754 776 942 604 1344 701 710 727 1069 720 857 913 12762 50870 49765 44694 34320 26074 31567 54517 78774 62760 42094 35195 30109 63465 40296 42467 66542 68436 81222 60405 indole-3-lactate 465 1728 455 2137 3054 2039 629 1128 1848 785 202 694 396 713 1308 524 2021 875 954 171 400 499 264 3464 4474 2403 9042 3367 2384 5982 2504 6213 2704 3099 2602 4449 2084 3462 2815 4166 615 502 1002 757 962 1034 722 1053 517 884 1703 623 656 636 885 1001 1044 822 606 1082 1672 756 983 643 778 1041 369 267 336 320 297 371 294 261 301 432 251 204 287 352 335 421 511 307 489 378 488 277 361 321 382 425 4066 5020 2995 3740 3093 3685 3441 2408 2720 2667 2753 1291 3232 1451 5424 3761 3875 1402 4197 2545 1636 1717 2398 1296 1810 2414 717 1009 443 317 2981 3024 3571 2952 335 377 421 464 429 524 428 367 588 325 289 471 304 197 238 258 307 253 428 288 219 363 264 490 101 472 350 278 622 471 221 211 192 248 388 336 197 318 235 1428 6234 6154 4859 6264 2294 3729 3668 3402 4880 4650 3400 2566 8364 2830 3263 3587 5766 4285 4202 indole-3-acetate 385 3924 1844 606 1753 1011 1434 315 1612 506 189 424 390 414 2756 501 2452 1458 932 125 870 524 357 9897 13067 7493 15922 6250 7897 12155 7675 16275 9885 10535 3788 6130 3812 6969 7573 6627 647 440 773 1334 959 1187 752 1241 527 1060 2488 642 1382 610 543 864 1402 1163 873 629 1540 594 608 780 562 1616 314 283 300 527 541 343 557 516 343 804 828 338 771 580 301 263 409 415 404 419 565 341 474 544 385 813 9124 6680 5133 15734 5436 6542 9975 6563 7646 7867 10211 3846 8492 5707 4445 8359 10578 5209 10853 4741 5103 3813 5966 4321 6018 7502 900 791 500 439 7948 6397 6562 5473 254 147 255 326 335 355 371 199 317 212 329 352 298 272 319 420 196 185 160 320 148 382 250 215 318 271 180 279 266 335 326 442 238 140 143 640 177 140 316 5825 8514 9466 9180 9386 4928 8802 12639 8027 17292 14979 11042 10051 10435 15050 16865 15756 9344 13075 10175 hypoxanthine 855921 1169901 780754 816010 482231 977504 1046188 399204 1025755 2529 122227 113467 112816 12818 79233 67794 61786 44129 76133 58713 86551 111566 71979 1348 2284 1321 3645 440 1019 2200 649 894 1031 1470 597 796 824 3299 1522 2041 250115 175165 129660 221098 349411 193745 334880 194386 414593 236436 440966 182499 254959 304335 335121 248455 156968 143213 254902 250508 268367 342007 219498 357007 248355 393273 158449 99315 89704 102962 75733 100901 90642 68629 87693 68502 93070 69493 81008 83472 60662 64652 75467 50463 130524 54697 97985 99830 75427 76728 51359 81279 1905 781 921 1131 487 735 1207 661 641 415 737 936 886 887 706 1501 1183 1091 696 617 715 541 671 747 582 686 231965 236332 63751 55813 1726 1235 571 1811 468670 265604 531255 230128 431305 337311 423304 421181 253528 230479 271857 162534 292639 378233 428327 326625 282116 327506 345936 228355 334977 310570 228630 269524 209484 355830 267434 308741 331534 241754 335595 332000 258583 279017 339257 333773 290606 271794 299241 808 1868 292 748 968 3974 598 784 1932 936 1762 852 474 470 342 507 211 886 273 1301 hydroxylamine 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 hydroxycarbamate NIST 44141 25414 31766 53049 26965 33701 31629 30649 45254 8954 15868 20159 20397 15258 4982 8365 4038 21804 9670 12465 21183 6244 3157 34038 41224 69755 58692 57549 70440 49751 57603 15238 15349 11788 56675 44353 63598 30874 27606 9620 4510 8739 8194 7724 4700 6520 2697 6272 4486 5874 6159 3303 5006 9369 7110 5086 5154 5801 4461 9625 7986 4702 5961 6006 3755 4096 1931 680 1371 895 748 2649 984 1495 750 2782 649 1931 2044 1000 1594 1499 982 1069 1222 1999 1969 1084 1960 3258 2008 4287 12773 24154 6026 14220 455 16655 3454 9843 10605 8131 4250 5193 5672 3753 9469 5043 8446 3645 19407 724 15205 9492 7663 6425 7621 8023 5206 1696 986 1573 2208 4711 7767 8056 83870 127325 56936 127437 111073 136396 115064 37740 87522 115065 90620 139844 51789 114207 129572 105849 124005 127045 134035 77620 106836 105946 133740 61793 110341 75523 69336 113342 102364 145397 52104 132480 88160 119788 113583 124661 69772 93747 124306 119795 165413 83022 181983 128496 137440 147927 216759 118601 178939 174187 157755 145619 92099 197863 180381 129958 148052 179481 147230 hydrocinnamic acid 4737 77199 38190 4718 4326 3780 3223 3159 4648 2713 6329 114419 4731 4929 17113 15628 16749 46452 4118 3534 83534 15652 21536 22860 43866 32320 42235 18258 36599 37131 31111 52543 40579 37421 21666 38539 17960 28355 31437 37144 histidine 70191 32986 28271 56524 42398 40814 33872 34822 35018 187431 91389 82439 56488 71431 82318 31937 32287 51207 85079 76729 48147 36093 43613 109676 103434 43500 131938 121395 119255 139911 116609 111452 124846 61692 94340 106858 70275 142568 114414 88354 6913 12965 15122 8486 10326 5772 13633 13116 11818 5596 8447 6040 11058 102799 24257 91417 67959 115947 57583 92000 123611 71358 93393 44458 191783 20734 31841 67186 64901 20144 114737 164019 144986 133241 84105 65030 160098 106363 70420 16847 96965 57638 55535 115377 69540 64697 47806 100761 124392 108208 22296 89703 84359 96668 83651 49504 115474 110967 123396 hippuric acid 13684 16591 64200 14271 6413 6046 4593 4283 11315 1636 2724 4058 3175 1674 4202 3276 5857 3099 3742 938 3669 2384 2534 13492 10638 31174 8174 11622 14210 25885 15836 20549 15453 10084 8364 12205 10855 8372 7902 17348 469 612 725 1190 857 601 521 544 872 639 866 868 641 1702 1602 1156 1885 1302 1989 1284 1823 1148 900 1738 936 1743 2154 1517 1326 1363 1394 1717 1041 1905 1088 1831 1561 1228 1681 3839 5709 19515 19057 11625 18977 15179 7405 9913 6347 5259 8588 18227 10646 5317 5401 14056 9662 5434 12153 hexuronic acid 410 2193 1034 2048 2051 1338 1148 844 1063 3352 3525 4125 2613 2494 9333 7103 8760 2806 3242 1743 2971 7214 5221 5305 8727 5898 8497 8100 7545 6449 4893 4218 6124 4368 6746 10079 9650 12596 7131 4843 25856 31132 36467 29105 23635 30535 33059 30583 26979 27082 19251 30800 25781 102650 104769 79564 123587 86259 139304 111553 101496 78962 83201 63934 53457 79018 81525 64681 112620 71529 95818 65875 76477 111174 91345 74329 68082 51989 52771 11740 16837 21498 8931 17474 28457 11712 9425 13747 10868 9111 16014 16122 16132 12297 10810 14707 10999 12474 13320 hexose-6-phosphate 74013 68242 59937 67392 55346 89768 16810 58150 148422 521 587 3098 4703 1063 147342 14599 19484 3316 1082 282 3979 21833 29252 3898 5407 3035 2731 707 4821 5689 2738 441 953 1011 5788 9412 6578 2294 4883 913 2102 3118 1038 89996 2884 2629 1981 1826 43859 24949 44741 31044 414 3261 1128 1468 3433 1542 1878 1368 1348 2241 1124 1823 1120 1104 1123 1123 2212 1628 2076 1135 2094 2297 1980 1950 2915 886 4422 355 82 119 260 106 685 134 96 103 54 100 162 109 184 138 80 193 169 100 97 hexadecane 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 heptadecanoic acid 5573 10596 5558 7252 7383 5464 4818 5356 4605 13428 8340 9858 10297 8735 5067 5455 6768 6083 7041 8772 5947 4527 5362 4226 10481 4024 10924 4545 3351 5500 2289 3595 8235 6261 4513 8019 4610 7492 13317 7623 2926 15681 13276 11784 14816 19495 11837 13205 9965 15137 13513 5040 11308 10801 12991 13726 13061 14072 10971 16861 21594 10502 6001 9235 9398 13099 11890 10609 9366 8760 8411 9988 12234 11368 7805 13278 8967 6636 6693 8151 9729 8704 5038 8802 10796 6578 9096 6832 6421 8413 8579 9924 11186 16269 6140 9466 8254 11474 21656 14850 12330 7780 4204 5385 10427 3718 12436 12497 10071 8460 9849 8449 7550 6149 4071 6517 3733 6547 15070 11412 11280 9714 4631 10615 10304 7154 15288 16695 12865 16713 13583 16202 13383 12530 9047 15535 13423 8563 11770 32649 37970 24106 26250 27038 34090 24861 27333 24557 27814 24620 25418 26818 15103 27526 15735 21645 22673 30115 24227 33340 18787 33214 9725 15049 19346 18485 10671 14592 3588 4479 5479 6218 10640 7481 11650 9139 13527 5471 11899 11523 6977 4914 7602 7945 8492 guanosine 1744 2943 2664 6453 2840 2888 1943 2597 2842 1590 2182 3274 2354 3036 1505 847 1340 2851 2642 668 2506 1717 1242 658 1369 508 582 507 706 457 489 380 972 505 951 569 315 2059 421 379 11519 3542 1203 3664 19101 1708 1197 2680 16627 3445 12665 1880 2368 7766 19118 8870 3416 1118 10890 5509 6944 7729 3062 8651 2470 15835 6192 3208 3017 4049 2958 1962 1614 2864 3126 3146 1972 2538 1379 2916 2682 1702 2614 2411 5137 3271 1810 3219 2619 3650 2607 2917 139 258 131 151 154 106 158 126 143 80 118 119 99 126 162 192 197 127 136 178 190 284 141 81 96 156 10184 9080 3756 3228 108 122 188 123 11814 4571 617 1017 9540 4362 7703 8959 4428 4483 5821 1475 5059 969 762 800 1219 886 1021 825 1002 1056 905 789 668 987 768 1505 920 706 719 980 608 874 832 718 728 722 889 375 424 64 196 129 259 42 97 76 79 485 88 496 196 92 72 725 687 95 83 glycyl tyrosine 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 glycolic acid 7960 11504 10931 10207 6607 6859 7759 7122 7336 2768 2685 4054 2297 2826 10040 10447 9511 2436 3606 1907 3221 9192 9745 13017 11829 9245 10574 9331 13959 11404 10289 14490 14192 20630 9571 15276 11600 13133 17508 11527 2168 1683 1280 2500 3172 4472 1970 966 1535 1282 871 3626 970 2065 2712 2048 2469 3198 2286 945 999 2459 2204 1664 2414 3136 686 2612 2028 3632 1040 3933 1605 1294 2023 2172 1038 1139 1943 4666 3146 2574 5876 3594 2896 3305 4210 2449 2289 2025 2840 5313 2055 3463 3745 6187 2251 30278 15219 glycocyamine 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 glycine 367742 266037 476116 374674 338304 350672 390305 397459 358300 1033259 965080 817378 760531 995581 712441 751087 661698 810801 890395 1247200 819483 674702 855498 236064 149639 169054 255779 293207 302809 266291 248040 248899 378173 191132 172744 184879 274661 248170 214641 220081 133672 88235 114682 136195 233753 98688 88254 101693 103734 131158 193382 113495 116170 131291 92513 79499 154997 144431 209973 128694 185001 104876 115807 217248 98779 158136 354120 434745 193216 252158 295173 283794 194643 182800 292384 201755 262255 150453 186080 174517 180184 256371 371858 250823 285721 192578 193949 190617 175695 186720 229056 187733 310733 171557 98072 116581 96800 134491 126248 103905 86335 67593 104489 61750 92335 122475 115484 104543 125214 102330 145072 207976 159747 78447 110581 114210 94138 123944 142877 142878 250269 240238 110524 108475 82995 65435 106069 62295 72065 91116 65262 39172 108375 75141 92327 96263 78196 89404 61770 583593 410852 706121 498724 560865 515739 420730 447849 563658 467703 494918 501917 552185 390365 456755 460806 501911 539457 458576 463511 471268 599644 460218 497205 738681 532702 246093 177956 137451 137661 208854 193201 204730 134263 103442 162718 148995 125661 117535 224129 196142 155467 136076 133951 160347 124804 glycerol-alpha-phosphate 11715 18438 14144 16911 10019 13557 9845 7504 13932 21247 87599 47837 68194 10544 1087332 730881 865301 24141 54172 46186 24693 781340 817796 14893 20622 10171 4613 5955 12396 8439 7115 10736 6398 13040 10912 13446 16216 12714 15554 9793 244185 319642 342600 402539 376493 367132 633379 385971 262236 153970 347501 150517 200999 237376 280702 354547 389268 351053 298730 356168 334609 274720 170215 155796 179399 293959 220919 215707 465596 285185 370346 331948 377114 479650 271840 427404 409892 444619 391457 299805 402393 247447 312858 471508 305697 524561 207640 255789 327409 499188 596243 345816 5466 6191 8490 3584 9684 6052 7990 10567 7663 9446 8095 4354 4888 4346 6059 10018 8319 9031 6071 5276 4431 4797 6853 14652 6502 6122 323509 322068 370316 363777 9799 7372 13570 10958 8125 7578 5348 6565 3402 4567 3606 5981 3753 4465 5444 5427 1795 19614 50913 47169 131901 71443 155696 129263 34507 93331 36012 47103 60252 10787 8151 21430 28648 50381 57025 31602 94465 33296 100010 78661 97766 36515 13199 2185 1444 1933 4452 1117 14319 222 3558 4326 2586 3977 5585 4253 5200 4057 4290 5050 3574 1752 4526 glycerol-3-galactoside 11301 11013 2027 4234 7155 2233 1442 3344 6131 34178 16398 22229 30735 24182 5388 3608 3220 19795 38191 52911 16471 5031 6220 1555 5806 844 3113 2020 2010 3338 663 981 1784 1819 2768 4595 1762 4424 3542 1674 613 1056 362 12117 467 426 7637 571 1457 815 913 656 337 6476 13264 6516 8660 3633 9351 8160 4785 4637 2681 5632 5509 2761 2369 2593 2219 2237 3925 1766 3517 4277 6953 5489 4660 4077 3497 503 612 929 1236 347 522 433 636 388 241 457 420 691 666 423 2006 1531 1237 2307 825 glycerol 723259 968110 1121407 1131896 1093398 807586 863690 1000341 894939 838560 860762 1011132 1111367 1276439 688280 372790 613189 1061967 1165223 1498860 874179 445030 428841 1107958 1257623 818007 1285079 1172617 941106 1219930 709442 517099 729501 1137332 1154558 1565879 1132644 1117123 904755 894197 215593 194505 191463 168146 281872 212056 234965 245379 181429 130101 257301 161691 161088 291376 250771 215214 198513 198464 232668 245040 367507 190040 167710 217902 156017 242580 206491 272955 274127 278636 334925 251344 337583 387827 364454 385445 369609 386036 218758 315892 333548 220549 162611 316092 378756 214305 224317 227408 267168 295471 323746 276099 305267 658892 804136 441777 648341 747149 1440379 1046333 927021 318764 259523 459201 915146 157585 1004795 1335741 561835 752753 503137 613775 510826 181972 204652 340438 402734 338798 202097 203901 428412 314232 645519 641399 779879 571674 299484 403154 387225 292063 298920 38446 234669 288367 317161 271985 262475 244982 253087 364288 1195170 471686 68653 304395 231816 593084 563833 267254 229035 455625 537232 128956 193660 180822 39378 204157 147069 81898 124780 419145 527229 529596 435687 274472 400610 393249 286066 448230 355310 292878 501395 398912 311227 406665 215064 188446 178805 184823 65948 344285 162871 188239 368424 318113 347549 glyceric acid 41690 82255 122502 61876 88939 48412 35980 30266 38257 107112 71241 116185 92707 145496 7593 10965 18783 92393 88284 27026 78884 11003 10490 31260 25649 27808 22548 28930 44149 37784 20199 19312 20978 38108 35408 34267 170647 36769 15988 23609 5890 4322 3706 4198 7781 2042 2449 2918 4051 3365 10810 4112 3520 1879 1726 2998 3462 4293 7810 5765 11136 3631 4145 4994 2902 2780 1773 512 1608 5337 1791 1425 531 2051 1997 4267 935 3365 1607 1469 1069 2690 2409 1822 2615 2545 2273 1826 2099 2135 5917 2322 15511 17123 21498 10305 16657 16709 19446 22333 15527 19453 25832 13656 11889 12148 10141 18060 13433 18536 19492 11782 14008 12150 6639 14448 15193 13979 18813 15542 6220 7279 12305 9082 19889 15192 4286 16167 4050 12822 8235 1976 2695 7872 6663 7429 6261 7665 3477 22524 17647 20082 18950 24296 25126 11445 21218 17338 31962 22051 26226 34630 8545 33706 26793 17841 25553 55359 24214 13951 5554 10994 10734 11858 11811 10339 12923 16228 20706 27115 26643 15852 13493 11063 7417 10632 7549 9905 30910 20756 8931 13764 9023 38547 24668 glutathione 8521 10838 4012 9521 12605 5375 9374 15872 10837 1784 345 676 324 1979 1228 1059 3131 2447 1402 241 3124 3924 2743 288 3553 1532 3190 656 705 2279 324 543 806 616 3034 3206 395 4242 2258 2347 8049 8965 10222 11187 8891 7281 6071 9680 10106 6345 14518 11009 9972 8902 7815 7928 8274 10646 8379 9461 17672 10389 8932 11096 9708 16358 9996 5769 9017 14321 5456 10422 2629 7220 5884 3455 7182 11969 9275 9054 12251 11962 11353 10938 12742 9398 17905 19107 3326 10481 14442 17148 418 430 221 413 280 286 158 190 185 190 175 167 214 169 204 287 276 258 282 436 320 330 322 249 258 216 7021 7724 11435 8776 295 296 360 332 glutaric acid 474 1522 1040 956 2280 758 563 809 1539 509 983 490 419 1901 622 824 1365 740 424 323 1037 579 303 1690 2873 1452 2943 853 538 982 598 1533 1052 818 2897 1484 361 2720 1826 498 317 1045 692 852 211 894 345 819 431 735 838 460 688 820 491 617 699 518 791 293 1552 571 754 825 600 638 588 468 383 492 642 703 462 675 581 773 579 524 634 551 662 620 793 813 774 512 1029 434 747 494 1198 1038 650 653 351 928 465 507 551 440 666 298 334 429 737 269 703 1108 958 717 390 851 462 588 701 547 524 409 611 656 936 440 703 728 478 418 316 219 152 262 206 212 197 129 249 151 257 252 203 418 639 606 669 672 676 649 489 744 610 1058 683 1069 972 571 811 856 628 885 557 1273 697 847 635 930 637 562 257 591 441 431 372 284 513 330 233 339 939 728 468 214 456 3279 1832 4991 2512 glutamine 678880 635879 487508 531641 276478 783227 643213 372723 790656 15860 81077 255515 27450 12946 3009813 1222565 1242229 18825 46760 22704 24633 1145861 727225 1517912 1370750 1276361 646191 714982 1847110 1552118 1244650 2116145 2628329 2112445 1194666 1460775 1267683 1492602 2953763 1881359 586423 489479 694276 684875 468165 456370 739627 665786 554226 569095 636347 473348 632871 655425 471440 489904 645333 754245 789663 544202 751519 758422 847036 693592 723901 550897 491955 577803 494994 465593 598480 527591 1018847 749528 652024 760406 543063 532183 602923 631671 545211 450974 581714 517737 306881 373232 500183 673047 786702 662420 565172 369755 1159803 882189 476006 616439 418427 487541 839077 545859 607953 369426 447817 373262 543034 604100 657505 647403 598833 446124 734778 728999 754070 663599 676744 397754 450731 511394 536328 644386 494343 565951 694441 706270 427147 325606 438783 360315 461339 235759 216674 391222 282114 438774 294733 300966 379661 281926 457476 802072 764390 751091 683488 530292 473088 1022811 1007749 427734 778285 139918 1700803 217432 122643 953235 344065 252308 326256 2038702 827008 1323510 912219 466593 719037 238641 378262 390900 613126 182413 304649 477471 355951 277740 358040 295013 518035 685621 255159 217599 224969 281508 885666 859095 975196 350859 884722 glutamic acid 1219671 1551990 1255236 1171318 661792 1755480 1303777 613003 1815583 1297560 1358683 732154 1117516 360516 575120 538350 561754 833412 1186978 568945 1028882 887776 424127 69002 77883 160324 30336 47389 99832 61269 76748 66574 58242 51688 77261 108387 143788 103271 57825 67826 1650123 1412664 1417579 1777223 1642458 1662238 1759909 1581236 1757713 1342705 1486438 1390992 1221409 1581263 1534811 1494457 1622671 1456719 1493433 1552782 1278833 1552483 1500814 2047124 1334752 1202542 213204 161295 145755 343904 162387 231021 329973 365188 243503 175140 167770 154207 167471 141442 218048 97609 267068 187128 258215 190354 166527 188921 219348 238778 203208 99208 101117 83656 53806 38691 65629 37189 59119 65425 108793 79171 72133 113936 80037 72432 81888 45987 65373 57903 67135 83103 121475 89732 89822 92319 78979 23792 1639296 1542136 231672 214011 87207 70579 79935 60449 23604 88738 189232 390333 273716 187109 238018 379525 220507 351835 449940 270255 589369 818288 397893 406328 197356 282952 302305 590259 351145 323968 365748 303623 379298 308558 322175 341269 284723 455327 579037 192889 931545 542930 910383 667112 681170 599488 630579 30833 40965 10644 109001 99173 140626 84760 81855 75939 68649 59852 71021 120796 13237 100147 61524 96532 91826 50673 130551 glucose-6-phosphate 41615 39558 32739 37855 31281 70075 46731 170740 119670 2330 1659 1128 2746 2234 117780 74592 86187 2252 329 1112 711 105320 133981 395 3531 1143 3235 628 919 3039 375 529 494 436 1405 743 558 2698 2631 1779 1130418 1342379 331127 823478 460285 799898 809894 620409 1162332 865427 165908 831926 443637 1052282 1217425 919261 476766 378116 947842 703945 24865 180421 736400 889143 596079 355152 131176 6776 9267 94240 164967 101747 37101 145918 12537 18216 1330 5615 36732 69580 145355 17784 109280 16381 136243 14005 66219 15919 64813 32558 49798 46835 257 209 256 240 637 111 167 167 165 208 183 78 151 147 185 168 291 143 207 274 175 128 158 1367 126 88 691186 679441 86300 78980 231 193 565 286 1013 7309 2380 253930 940 1427 2475 795 121714 56348 122147 84851 2074 12816 9593 5236 12462 6242 9106 5340 6759 12122 5356 7844 3976 3742 3979 6175 6431 5170 7960 5093 7957 4269 7304 12312 13326 3223 13112 218 154 102 161 98 2186 105 126 109 99 74 84 121 169 128 102 218 128 75 130 glucose-1-phosphate 47843 48908 33629 33862 16635 18114 13466 13998 32761 34236 25775 69287 57150 17012 39183 95104 66483 95362 42167 2549 109234 101750 121153 3053 3082 2142 3520 1443 3109 1745 1547 2586 4030 17392 2533 6227 2752 4103 4459 3699 291975 289657 170650 246878 132553 272097 301255 225424 320385 302442 74904 219370 161269 296827 300999 220846 216191 214164 410564 325069 30508 56412 246537 232064 188668 103512 41668 35806 30377 23766 54204 22204 18016 26692 10392 12197 12979 34855 29648 27813 57781 70701 60709 70210 37088 63088 81086 29670 16976 20528 42516 36345 16125 18262 9090 16503 6627 10958 8369 11961 11943 10572 9078 10304 11863 9166 10433 9002 8452 7255 10928 11030 17696 2270 11191 10874 13649 9967 238252 241773 46250 39773 12810 10744 12913 9400 477 2074 532 39933 1005 1430 902 562 16501 15771 21105 23498 882 3485 2587 2702 2632 4425 4535 2659 2514 4472 3621 5843 3066 7610 3845 3254 8786 3720 4230 3306 2696 3259 4085 6284 2274 5113 4203 925 1234 1205 1455 1311 1445 989 1214 957 1251 1167 898 4258 1261 1247 1170 1379 1331 1397 1465 glucose 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 gluconic acid 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 galacturonic acid 607 1647 1843 986 2369 1114 1235 886 1529 24955 30144 35032 37071 24331 34048 40347 25505 28094 25848 20301 10971 64161 24220 2204 10238 9391 16063 10216 9493 8114 1644 6734 9645 6421 9860 13793 11028 13441 11646 8007 galactose-6-phosphate 3679 5530 2500 3406 2718 742 923 4703 2123 772 359 789 756 518 873 280 402 857 819 464 924 885 348 412 4365 1343 3263 756 1034 3976 343 608 623 488 739 908 564 3833 2631 1030 32524 28709 12627 22116 8727 10119 38842 27416 26752 29481 2947 17800 16756 45371 32143 20938 16104 11304 35202 15478 931 8091 26912 24986 24042 12679 1220 183 510 554 1313 1600 247 251 180 383 322 358 414 836 1682 1024 412 874 376 213 394 368 392 257 120 535 414 265 146 181 107 118 168 168 179 80 95 141 91 139 140 141 167 106 169 200 216 184 203 118 174 88 26431 29595 203 179 155 209 142 147 151 432 166 1079 195 358 130 352 6438 1636 3146 601 366 655 354 400 869 538 425 526 430 962 416 390 408 379 555 281 964 240 771 310 229 407 258 472 110 269 637 250 86 63 164 40 229 114 118 124 96 69 97 74 95 66 72 109 95 75 62 galactose 1661690 1749283 2306755 1724334 2539476 1005837 985660 1791403 1254260 1045015 1775258 1991355 1427977 2180444 4824261 4881839 6533393 1732304 1624072 779534 1760211 5420335 6130370 5907070 6513276 4410867 6615929 6889622 5696854 5434570 5451931 5278998 6802120 6711898 5040037 6002715 6306068 6553561 6691841 6307278 galactonic acid 1959 1981 1524 4287 2130 2325 2956 2946 3375 6766 4012 9646 4026 2991 3916 1091 3406 2840 8432 3586 13192 1467 445 721 5733 673 4547 1664 1227 4252 442 846 3542 774 557 1688 863 3544 2580 1202 3085 3241 5388 4359 4684 5878 4680 4065 4292 4331 3018 3813 3934 2939 4349 4888 5855 4095 3760 4783 3308 3647 3095 3378 5269 2744 483 2448 585 651 673 600 461 589 650 521 524 598 907 705 695 775 700 712 974 610 669 474 506 510 597 622 1307 1070 697 1539 549 680 713 836 638 554 656 254 783 401 467 994 1037 731 433 891 918 593 496 544 422 623 4451 3984 1050 1077 793 716 681 505 1082 1610 1674 1760 2398 585 2220 2493 2114 1688 1469 2140 989 7806 2095 5005 1668 1381 9235 7964 1775 1382 1504 1553 1075 2313 1498 1281 1604 991 2048 1725 1228 2822 7785 4942 15567 1968 2574 1276 480 2432 1862 1733 1459 1989 1042 837 1045 1123 903 1208 1655 1157 820 1309 931 792 1131 galactinol 670 1924 289 2895 918 2045 744 494 1950 1818 1201 1029 1245 1092 376 574 369 1115 817 1277 1255 598 525 1580 1067 572 1048 499 1877 699 522 470 638 586 700 544 1219 1883 646 343 fumaric acid 36969 40526 7602 40597 28158 24575 14320 43831 14023 12456 30953 12991 6206 39914 233034 238322 248544 14633 12874 19354 29879 262193 242859 2597 2098 1758 4190 1053 2088 2779 1661 12401 7749 8384 1387 2261 2170 4059 9856 12052 72189 73521 254671 158654 46574 141420 50966 125107 74375 154581 170689 90458 152134 59436 84641 129551 209476 261494 87108 108635 163685 97586 105998 65257 91612 145277 120785 56374 28091 45987 46588 70683 77668 68787 25418 38698 16847 38817 35580 54456 101110 109718 129536 119136 82947 49802 84747 96583 71101 78209 62517 46462 7953 13468 6448 8127 5317 8368 5935 7717 8051 5812 4929 5919 7002 3767 9511 15058 9715 8456 7899 6729 8314 9355 8275 8873 8926 6331 130443 123835 75643 73565 7810 7065 8948 4256 36957 36539 28568 26748 50274 44737 46564 18692 25977 25051 26172 38859 27956 114415 158136 115598 52283 48899 67369 83408 114282 81855 92561 73158 76839 29600 38925 80383 3623 62172 93188 52738 101293 46715 106439 80393 116111 18317 226266 5837 4876 10126 10057 4625 17002 8304 6666 4380 4654 3310 5712 10966 5283 6684 4520 2574 7653 8056 12599 fucose 23173 34728 12941 24145 9581 28052 25558 8191 30182 13288 9577 15097 9739 3877 19175 8566 7490 6968 11063 1932 8333 9259 8360 116630 10461 84972 11996 42333 25542 27581 27588 173632 12007 17964 10633 22035 29747 23923 14875 20137 3127 3686 5001 4772 7242 5044 21770 8990 6308 17614 6545 3653 20576 4420 5840 5131 7231 4116 4812 5404 8587 4654 9225 14765 4229 62208 5362 6475 5953 3633 5527 4868 8903 8380 6826 7063 3796 6437 4374 5978 6659 7060 8916 4565 2796 7471 6518 7009 5345 13623 4065 30647 92675 16991 11234 7645 24244 3840 111634 63292 40426 62573 7884 3907 152676 2709 9385 11297 45102 5092 4128 6062 11256 6981 23821 75020 7442 185118 7549 10651 7548 6267 46921 46266 33990 24710 2114 6696 1187 6179 2520 2761 6062 6040 1347 2840 4183 1852 1469 3806 10716 3523 4579 14090 5076 4722 3971 5421 6335 2165 7521 5950 3899 1795 10905 7500 1826 2612 6681 4398 6925 4901 4470 2018 2213 30935 84485 13569 8606 168725 12914 30209 4982 8581 91605 72411 6376 65682 93152 49413 92349 78124 44292 12494 8825 fructose-6-phosphate 81035 95647 62260 80651 67150 27582 19001 68338 30408 1410 1102 2111 1287 1945 47729 30090 38916 1210 2308 525 2101 41784 51875 447 2024 431 2301 548 842 2045 354 637 387 371 1289 3646 329 3323 4155 433 408684 379171 36614 107035 166391 178661 314320 194070 375957 219162 50923 214079 115529 225323 408736 198682 137501 127749 332441 185589 7136 51295 199219 283966 105893 49242 66783 16329 24404 46116 82895 41067 21011 61138 31095 10337 7579 18788 19633 34591 58399 26959 46897 22180 56097 32849 26209 33641 30394 18870 21813 20678 526 427 495 327 782 213 277 312 493 422 285 191 280 229 168 305 243 258 213 329 240 274 257 848 333 189 209411 236661 60825 53045 438 382 888 654 2761 5867 1607 85804 2799 2297 2457 2419 67547 29965 28374 43692 2015 9747 16913 12510 17775 16132 9517 7386 8284 14104 7047 15252 11010 3755 5167 6042 10918 8608 12671 7511 7374 12106 14300 18384 19442 4752 8177 297 93 125 351 165 946 176 80 120 105 189 113 170 197 126 95 86 196 250 201 fructose-1-phosphate 6135 6184 2191 227784 3575 4230 6906 4263 5541 4647 3320 3508 134504 6550 6254 5574 3195 102246 325541 1505 9907 2188 228639 291911 3409 2108 6584 2150 4170 5139 6372 4523 6616 4310 4135 4071 2725 3889 5853 5298 3417 3271 3952 2517 5001 4971 2928 5784 3995 1137 2932 1224 513 518 211 437 385 468 342 281 632 157 420 221 507 163 444 911 337 592 662 1682 446 363 565 348 405 209 13074 12192 3821 4779 139 136 519 312 2102 2789 1038 11262 2884 2629 1981 1421 10625 3127 3334 3826 1026 2689 4439 5314 6143 994 2944 5412 3129 8210 7902 1173 5223 8183 4533 6462 6115 8921 11270 6280 10582 6218 3635 5484 6791 4170 2883 218 117 124 101 38 154 93 109 81 90 72 154 119 81 39 84 193 139 87 85 fructose 76525 96623 80829 87631 37475 37046 21944 28065 62760 8442 11987 20685 16070 9303 5029 5868 8727 14564 17628 5342 17712 6319 6679 4713 6687 4422 2715 3165 5353 6270 6838 3360 4832 5092 4617 7049 7642 4377 4010 4826 18238 20072 15346 23931 51840 5673 18091 14196 24269 17058 12668 13695 5859 13930 25368 24983 9306 10869 12949 18605 16834 7325 17545 16579 10700 13036 9416 15451 14416 28167 12528 12753 10841 13399 18352 6212 7690 7528 11432 17986 13093 8346 8737 5113 25071 17253 4833 10464 17222 8775 15352 9630 11521 13173 12001 7199 12461 5950 6595 13973 6049 8988 7047 8636 7280 7825 6026 9092 6152 10625 8042 9185 9387 8781 7709 7865 7252 3200 29332 29018 21399 20148 5053 4582 7022 7249 3383 8763 7356 22720 7003 8736 5199 5959 14184 5905 11840 16812 7306 25162 23727 18858 24547 15351 20133 17780 20541 10693 11618 21787 9864 18680 35059 17946 16844 7902 18155 13317 14961 24701 15029 32065 23924 8499 21515 1689 4979 3688 3258 3515 4449 5306 5287 5024 2719 3199 2846 4365 4537 5302 9402 3744 3533 3850 3756 ethanolamine 368181 429577 307896 333046 352765 359365 489257 411430 389070 488382 568401 695617 632609 639032 7649 77950 53110 344339 336973 324851 275972 73377 16895 188195 153619 162716 232653 200581 177431 286377 191519 129550 132724 165983 190862 254527 273320 251261 146184 101403 23246 23584 31009 37253 23119 52785 28357 26253 18958 34624 46589 22015 18087 37047 25835 26582 30002 39049 31175 31113 66647 21924 42337 29864 18241 29686 132211 23856 141622 171580 69441 99315 50302 113011 55324 116440 73745 93305 127880 74190 49793 36948 20271 32140 116444 72934 51555 95492 94694 112709 3462 123450 78960 130315 54384 93701 18228 76804 49040 84944 67996 40253 54110 51981 70708 27377 61363 71620 58954 45896 90915 24137 62423 44052 44014 47755 59847 57642 51593 40973 140673 141374 62022 64084 59508 48519 220589 269555 107474 95921 141546 155345 141265 111709 135628 109945 182889 234076 135508 226728 342133 174796 289486 6905 4952 326770 333304 238316 210822 271832 184756 163454 233276 174634 161935 203614 185174 234672 317021 391966 258885 287254 257123 374637 357288 44933 78632 55971 58885 58421 86991 78669 67909 69248 68505 48565 42923 45449 72692 76833 81154 50225 66749 77876 69320 ethanol phosphate NIST 650 902 400 1892 2060 1168 344 545 299 241 342 445 606 595 21382 2876 10915 418 768 259 554 8765 10501 1565 965 1504 1913 734 717 1044 1856 845 705 982 693 3477 988 3604 3154 953 erythronic acid lactone 1273 754 651 1566 1400 1313 1121 479 1859 1850 2390 1465 1527 1767 1244 1141 1159 1269 1347 1406 1268 1035 1550 1430 670 1869 1104 772 642 813 594 669 762 787 1002 1644 641 955 735 526 802 708 689 1291 343 1088 1999 1228 744 844 1137 1300 854 1173 337 549 457 594 386 353 463 310 290 381 383 248 660 1026 674 367 725 516 474 557 452 316 384 439 1919 1397 2122 1796 563 441 435 373 1539 519 1766 725 1465 1256 1623 636 1199 800 914 869 781 2996 4395 3508 3770 3409 3962 2642 2868 5036 3375 1158 4132 4912 3413 6192 7690 294 5410 4161 4683 4183 4316 3921 3602 2888 2977 1260 378 405 415 475 751 805 1014 587 499 661 1006 876 343 542 600 714 768 612 624 erythritol 1570 1981 2797 2221 2618 2493 2385 2711 2248 1589 3757 1754 2732 1685 1956 3043 2793 3578 2085 1794 7609 1873 1509 2664 1864 3127 1466 2672 1416 1123 1807 2371 1428 1564 1774 1668 1616 1387 1557 837 1645 1873 1960 1844 1627 1556 2229 1582 1624 1759 1925 1919 9317 3815 5842 5269 3286 6235 6079 4401 5018 4616 4767 3674 6371 3262 7004 7292 8173 6281 7913 6753 10674 4722 5592 4742 6277 5144 2607 2399 2056 1731 3823 5705 5412 2803 6357 8260 7060 6409 7479 6778 10196 3038 4010 7074 4488 6953 4776 2416 2753 3807 2547 3355 2331 2382 2649 2980 1907 3918 4976 3634 2358 2411 2899 2631 2272 6205 2134 2560 2735 2726 2383 2543 2142 8154 10448 8545 8854 10284 7983 10435 6090 6418 5491 6867 7199 7026 5387 7147 5430 5714 7085 7060 5951 dodecanol 2940 3356 3212 3208 2908 2616 1926 2939 2088 3260 3933 2537 2621 2930 2556 2781 3230 2797 2204 3120 5398 2239 2247 2608 2728 2648 996 680 952 1023 896 1246 888 1496 1092 1655 944 1211 963 773 1000 1406 966 1177 1408 1307 952 1135 1179 1071 1369 2059 1828 3037 828 1539 800 1341 1119 1128 1058 842 754 693 970 869 1312 1049 971 1164 1682 1052 1370 1008 1142 815 1231 925 2652 2851 1976 1203 1974 1495 1033 732 2114 2530 2232 2215 2230 2800 1995 2306 2069 2408 1786 2852 1954 2257 2674 2156 1963 1935 2609 1716 2164 2721 2250 2355 2171 2477 1987 2352 2185 2436 2240 2604 2109 2461 2006 2434 2288 1863 2735 6508 2532 2105 2211 2183 1808 2212 2530 2062 2064 2032 2142 2258 2690 2528 2226 2062 2654 2587 2457 docosahexaenoic acid 5092 8624 6665 5794 13931 9852 5607 10001 5886 14770 4459 5568 8436 5868 1597 1673 1560 5279 8217 11253 2370 1569 1709 1973 2416 2219 3422 1993 1192 1260 1133 1825 3133 2836 1512 3747 1682 3116 3670 2120 14716 38997 11514 20634 12348 40389 9772 13021 14955 22591 22992 11419 18765 17590 34052 13536 9288 14549 20285 14614 19893 10917 8346 11378 15703 11800 6668 18754 4763 8634 11495 12783 8826 16059 15187 13525 7904 7282 10052 1689 2476 4548 2482 2955 1386 2213 2474 2118 2401 2504 3132 1192 3444 4473 1971 2411 1665 2248 3310 dihydrocholesterol 871 775 900 2353 351 974 1482 324 757 86 612 185 526 478 300 1828 821 295 608 102 825 342 645 595 2053 1266 3703 319 281 295 613 223 441 581 2214 1780 550 2479 521 1353 1715 1746 1431 1491 1202 1503 1131 1088 1061 1261 1062 1332 1429 3585 3513 2745 2726 2750 2761 2307 3103 1773 886 1969 2516 2599 1716 2675 1907 1958 1957 2183 1960 2621 2608 2810 2480 1467 2071 1334 3096 2466 1989 1698 1046 2246 2517 1317 1097 1670 2653 1926 2028 2835 2028 3313 1389 2039 2293 D-erythro-sphingosine 1541 4051 2445 3356 1485 3378 1747 1562 2605 1004 1337 2998 1097 849 1221 668 1383 838 825 1047 1408 1033 867 402 3363 1504 1047 1049 1182 3634 467 538 722 828 642 714 2015 1136 695 1018 766 1115 770 356 571 366 381 1014 272 184 779 203 486 5436 4772 4009 3526 5252 2457 4604 4546 3651 2945 819 6088 1668 932 4694 1392 962 2430 5482 3145 3234 4060 2554 4597 2162 1351 261 356 140 429 186 185 131 365 153 209 262 188 161 228 133 130 194 411 298 205 dehydroascorbic acid 2420 6036 2445 4697 2626 6275 5695 1349 4408 428 4226 1195 1304 553 24479 23004 19357 4416 2420 849 3598 45041 33158 5695 14300 9905 6646 6667 13035 7813 11201 11091 23502 11027 14757 12762 12943 12992 54329 24381 46208 92135 37484 40418 33323 38100 48859 39147 20149 40316 24115 31472 29659 36025 42510 47220 48354 38197 33943 52975 4805 34903 42045 35454 23452 17197 103651 80430 74938 110919 126055 106592 115758 87592 101387 58837 109795 80534 72132 72581 128413 147828 94206 106557 114301 159361 118130 134314 66658 59668 63975 115002 17206 20253 4381 8421 6855 7930 7537 4784 10085 5181 4726 5394 6707 6767 7763 11293 8045 4012 6490 19347 6721 10178 6236 4299 4982 6848 27715 20094 87697 84592 14800 14161 6002 4721 11344 13232 6423 12825 10171 10450 6315 9718 17438 16459 12611 18725 10613 86318 160753 99063 151762 157691 135877 95704 109538 173787 121865 84017 145249 177697 155362 178439 316854 109242 203396 155507 141244 173173 132545 137356 129160 154626 124286 6578 6839 7572 9136 6307 8164 9444 11317 6100 7702 6961 12046 14985 5845 12462 9022 8759 11706 7964 9742 cytosin 4672 6430 4167 4224 7073 4693 3691 6113 4566 5712 2697 1774 2561 1911 3242 4363 3294 1944 3472 1900 2016 3031 2815 13737 9069 6390 17210 7484 17903 18923 14368 11098 15166 5460 9955 17621 15631 20613 13010 12850 5771 5698 7468 5800 9490 8768 4917 4871 3175 5065 6049 6461 6391 3654 4847 6629 6406 6565 3999 5611 6716 5274 5311 6240 3850 5635 2128 1987 3075 2770 2324 1967 1551 1448 659 2173 1626 1847 1556 1929 1490 1502 1991 1784 1578 2082 2419 1232 1649 1721 2082 1858 16356 17172 4318 6538 7667 7824 6179 6728 3377 2590 2199 5005 6591 6329 5629 8219 3853 6410 5518 5944 5381 5570 7524 6376 5643 5700 4119 5891 2135 2339 7661 5615 11848 9165 675 536 484 1657 1817 989 1550 1072 588 472 520 1507 766 1453 828 685 342 845 1182 670 519 644 963 2613 1060 5573 1042 1424 346 1740 525 1086 716 637 1276 2327 897 429 841 4573 275 3119 3986 1353 1109 1783 7950 1990 6459 1953 1759 2235 9385 2369 486 838 2924 509 2740 cytidine-5-monophosphate 3378 6346 7466 4836 2922 9807 1959 6905 3588 5033 3846 4603 6285 2950 2557 4658 7881 7611 3426 4452 5388 3841 6162 3066 4656 3468 1662 4386 3557 2665 2353 3623 2431 1428 2663 4876 3280 5470 4633 3906 3611 3600 4433 4612 4758 3722 4994 5051 3850 4111 4784 4616 2555 4775 1570 3047 482 2812 1074 2900 2228 1364 1265 1591 2105 1175 1466 965 1212 897 2036 861 3062 2091 1464 1409 1743 1543 4989 5900 5212 4874 1483 1746 1592 1303 cytidine 2486 2063 2540 4136 4505 2819 2797 3623 4087 3932 2785 2366 2936 4457 963 1196 1047 2360 2958 2533 2040 897 850 886 2157 2010 1385 951 901 754 622 848 929 731 1597 709 948 2199 1154 743 cystine 41793 42313 22377 34490 47492 29465 29373 38462 39664 7460 12650 25519 7546 14149 12068 7207 9760 4452 6336 78261 7948 10400 12076 14835 13164 12202 16727 23463 16602 20767 20723 37824 43010 30065 17253 21089 17389 31309 37452 20731 73038 72951 18247 52707 34494 43524 56932 38008 139260 49898 12179 96829 27132 63208 81791 64315 27513 23613 121553 41166 2365 11609 41639 56072 36307 22951 13132 10250 5202 9022 15791 9384 5849 13285 6939 2891 2795 4416 4762 7620 13474 8083 9933 8977 11042 8422 5755 7446 7233 3815 5152 4524 41669 42973 11404 22043 14116 23909 36879 19970 17037 11000 21532 9174 16322 16461 23482 16945 11092 7655 21961 26248 49555 23691 22134 6169 36074 19701 47820 46568 13549 11969 33337 41092 14586 4225 1050 1879 749 21506 1024 982 1106 1264 11454 6174 11013 8208 1318 4319 5433 4961 5722 4199 2466 4611 3429 3744 1852 3442 3845 1694 2171 2240 2672 4454 3176 3407 3500 3392 4761 5097 4543 2826 2685 3894 20241 19791 19207 71937 18719 55190 49193 48921 51488 54683 47120 31213 31635 56253 66682 65181 47756 26630 34918 cysteine-glycine 310 375 570 406 391 483 346 238 244 330 322 449 418 1516 1217 1494 1379 6892 1497 707 3196 1121 1835 1044 4085 1097 706 996 713 688 1055 1987 2111 3404 2714 1081 4946 728 1117 328 392 426 566 365 803 340 572 371 532 592 415 581 469 622 718 583 351 481 390 cysteine 16467 6217 13294 24131 8586 32596 18209 12671 21382 43748 104813 62347 74612 31133 8915 10066 6193 56749 31006 89757 48040 15844 7151 2947 2962 6870 6064 3394 5289 2447 7890 3856 6601 841 8274 4795 7024 6785 3512 5088 9438 6709 9079 4630 7187 10005 7136 8040 5846 7710 5723 9128 6996 6248 8664 4462 6968 3567 7010 6814 9989 11179 8753 6148 6416 6010 4492 20338 4421 2910 12486 3851 2222 4531 12783 5716 15613 3491 6026 5516 7782 5367 7763 5583 1773 5462 13335 1932 4037 2507 2578 2506 3330 4583 1962 2553 1910 2111 3463 2456 888 1049 2231 1493 2385 1359 3452 3471 3805 1168 4026 963 3891 2856 4076 1969 3503 2235 8755 10298 7275 7080 4461 5128 1630 3033 1124 758 2816 861 190 777 1764 1227 171 3237 3551 670 3597 29737 23681 26532 6528 13157 23600 87317 29167 15183 14319 10842 16203 629 1084 16844 271 9250 13930 2237 13166 52495 75984 24401 15122 20175 14520 2778 6176 2405 4473 5406 26149 4788 8312 6709 6201 22384 9733 3175 13526 6153 14736 294 16539 16366 21664 creatinine 2722267 2944922 1359488 2446653 778368 2589125 2888090 2489206 3234290 20494 14397 21005 10453 10990 23596 32512 38784 11401 19514 5886 19886 35809 21290 448489 206722 201631 178958 103898 188868 237829 205712 225132 337933 59339 208894 181977 216974 258725 355393 187745 3640091 3167113 4025434 3726122 3008826 3990271 2903783 3633856 3149768 3679224 3163015 4229327 3612617 3543845 3889770 3139099 3292264 4208467 4004320 4141751 2079926 4163292 4235140 4678247 3210671 2951957 4536 18685 12158 4355 21608 5990 42181 4931 14428 10231 17284 3281 6198 21938 13905 16707 19887 51994 4552 21969 20200 7558 4915 12078 2562 14080 383352 154250 260834 88897 242969 109975 545579 178978 191599 218845 219849 120855 159064 253800 150075 298083 343714 161882 257017 181736 102777 212254 190230 206562 210306 145894 3211139 3290090 7268 5169 234684 194508 342797 212119 175268 187703 713146 185285 256697 129017 278340 694207 390265 357995 195286 136972 518370 4885 3447 1643 4481 4463 3319 2886 4774 3997 2098 1348 3179 2933 1761 3049 2462 1555 4127 4585 3370 4203 2237 4141 4679 1401 1618 1401 11056 2188 29932 87730 26218 10669 17331 29407 17155 29933 13174 17952 1625 18450 17767 33387 20602 8341 11842 conduritol-beta-epoxide 1742 4894 2366 4148 4232 3118 3325 2734 4690 2850 2727 4246 4861 3928 8387 5979 9325 3986 4403 1475 3175 8307 4850 20611 15770 8845 10654 14102 5014 9860 4826 9365 8711 4912 8962 9531 5676 8310 6796 7874 978 648 2950 1590 2773 3303 2053 3390 2932 1854 3164 2243 2382 1626 1684 3039 4001 2654 3346 2931 5307 1665 2998 1364 1872 1763 1060 913 1224 1096 1556 1651 1140 1627 739 1320 750 1295 2145 1241 1362 2139 1809 1522 1107 1132 1172 919 1189 1463 1232 1697 18064 10114 4599 5615 6277 9254 9643 7652 8684 5497 4787 4862 7413 3789 7362 12837 8501 7181 9586 6245 10414 6582 7176 443 5205 7267 3039 3302 1433 1186 4235 7658 7765 5914 4975 4198 5004 2944 2731 2150 2758 3288 3008 2752 2303 3059 3294 6592 5775 7081 5508 5805 8363 4619 5501 3742 3750 4388 3199 4754 3127 3061 3656 4649 4978 3359 3532 4651 3599 4006 3695 3746 3339 19581 34530 45751 28728 28725 22468 31349 11594 12869 6295 26728 15074 12210 16567 16695 13314 17117 14140 10261 4324 citrulline 28127 37529 50354 33292 18563 33589 28539 20919 33470 7757 12333 11974 10137 5223 51862 31907 39480 8052 10629 4084 10417 31053 33572 100494 98245 59529 21080 37519 60281 60737 71310 105159 113444 193973 50753 50176 54584 37789 127141 100968 19304 15618 19995 24397 24625 17411 22134 16166 23400 25779 22826 30816 26231 22855 22579 16417 19552 24051 28127 19200 26926 29397 30456 34992 26577 24238 6493 3938 17165 4165 5400 5993 5640 6430 5477 40077 6819 8808 12373 7985 6304 6365 4301 8907 5418 6227 9049 3755 4743 12326 7497 6606 73363 66337 25124 45370 108452 27757 49900 28746 41199 41114 33728 33216 19569 25112 32366 47264 25483 30004 43326 20405 28221 47577 48847 47916 47429 32002 22174 22747 6740 6448 17248 38471 122581 93586 5415 3066 5679 1507 2794 717 2994 3261 819 2951 3200 1165 2206 2957 17672 6010 18166 3160 17818 14737 17447 6482 13053 4161 6702 3626 1651 13365 4526 1486 10064 2940 6044 14660 22888 7105 14499 3559 4916 23733 19940 18685 49860 14851 7320 14120 11747 10941 29329 5055 18879 28204 17294 21679 24944 15665 42022 13074 35320 citric acid 5226 4456 348795 4178 3054 2540 2158 2081 6283 864 1707 1285 1141 3450 17633 18609 22766 1890 3240 447 2962 21610 29361 211308 147273 176877 69766 103709 188317 132315 112355 210947 202533 241543 130034 192673 207854 114239 172899 214271 15769 28886 64011 21690 7684 29251 5383 33862 18207 30555 50288 14811 26658 11913 6277 5142 35325 39642 16453 18358 74968 20860 26104 17277 13665 48015 8915 2931 3317 3768 1914 6279 3479 3895 3247 15925 4155 2930 7654 2838 3209 3156 10604 12269 8669 4813 12223 4464 2751 4084 9477 11981 275219 262714 114396 165390 98433 146885 128909 147087 151777 88117 107265 101232 146988 104577 167394 180691 154542 99887 204420 162286 183440 162585 185563 119864 144640 101496 20616 22429 6037 3588 149885 140818 119086 86357 1173 1886 1236 1417 2223 1679 1421 1354 1689 1506 1095 2564 1298 3935 1537 2964 1508 1283 1464 1026 1477 1672 814 5804 1930 6201 1137 2137 1832 6237 1250 2059 1133 2405 992 4560 984 1039 1537 297468 212101 226320 237293 254511 243319 204475 183482 162960 109091 146690 141435 199263 185295 186402 135534 209256 222257 148535 195952 cis-gondoic acid 272 1736 818 2229 447 1928 236 477 2707 342 343 1252 635 591 333 419 556 1010 533 498 631 501 322 353 3438 1236 2400 1114 1088 2597 394 627 994 809 382 1025 632 1317 1655 1848 518 443 395 547 308 524 488 260 311 238 310 521 468 673 513 392 423 553 726 652 834 186 545 485 450 383 299 407 104 193 229 161 209 304 182 206 164 167 248 203 146 269 214 356 382 156 313 147 156 308 161 543 365 1004 377 711 405 455 826 1107 617 249 142 229 505 191 1212 813 685 766 882 678 532 202 199 401 235 505 501 445 295 337 589 643 529 398 131 530 556 262 263 187 228 463 476 440 230 350 264 681 477 319 312 292 556 307 623 248 233 347 490 255 148 154 147 183 393 382 278 321 328 520 295 287 301 207 377 213 201 170 134 212 438 154 178 110 175 119 170 236 97 83 135 128 196 cholic acid 493 571 309 1631 481 1205 954 717 722 171 263 373 203 792 1158 387 423 1229 394 113 701 772 389 8787 4594 1156 2896 8386 4472 3972 6973 10602 918 1965 507 2783 12640 2835 3762 754 748 1152 743 831 337 1279 603 1427 578 1286 583 601 601 783 526 586 1486 1392 989 660 1311 488 1057 637 689 1580 777 835 516 412 668 849 715 856 1051 1660 887 600 698 672 685 1033 529 716 533 603 782 480 617 632 600 889 7232 3088 753 1801 827 926 3904 6115 1090 3807 373 249 1151 884 588 652 2879 514 3676 1216 370 946 4640 1015 1419 3129 724 655 846 770 2583 2361 1242 694 407 617 584 351 346 474 241 621 430 600 362 304 323 831 777 791 778 822 435 1256 973 652 805 501 737 652 513 918 493 734 653 798 907 1042 1032 691 1372 261 676 3964 8816 6462 5595 3102 4583 5888 2442 5083 18940 8509 4709 1078 28312 9541 10970 5738 6309 776 1115 cholesterol 370592 450960 444624 391123 518272 389622 338199 426863 340810 133391 164389 158924 124176 197613 484162 547042 515954 156942 179681 168886 187901 533189 511923 475573 407728 319338 451991 299471 277211 358696 315539 449570 378930 473452 389587 560443 437722 455660 638318 391294 1442454 1451977 1500372 1183899 1125387 1251101 1267476 1329888 1255153 886998 1866202 1147385 1307382 1118054 945656 1471920 1831827 1214935 1457797 1529025 2242032 1450169 1270787 1442519 1272923 1456215 553675 440297 340243 340286 485708 448068 441812 444363 398944 387209 368753 365380 398078 379153 444540 421791 541465 488572 386791 484394 558611 422533 371174 461921 320428 438998 684435 1172464 367159 514406 461420 475294 371042 312144 520977 305917 382871 292521 436002 355898 497996 526542 521521 397494 517333 390176 642523 502210 379207 241622 330388 358450 1523793 1301407 405943 407732 401477 408513 402110 289590 825169 899204 841421 690289 617513 801441 880149 742082 803878 783551 695652 892923 809233 1047746 1016023 1066507 1205191 1105965 1249363 793495 1246848 1497482 879022 1104391 949686 1190317 1003605 1109738 1231871 1155415 1134981 1387510 1151415 853281 1014908 952264 820277 291422 924258 348179 1024523 1115556 619327 855585 692860 881111 999155 741960 983428 1290813 1158678 699993 845492 1395821 951867 1098696 899365 1053777 947059 cellobiose 752 1068 254 1597 6058 1536 1207 1342 2898 32116 4607 1270 99389 1150 1718 1924 3630 6460 71918 30540 8754 926 4721 684 12854 3733 839 7450 5752 2373 10922 6847 21948 24598 9293 7179 21379 5254 5964 27582 capric acid 2397 2915 2496 3512 2162 9807 2028 1821 4568 581 702 636 524 528 2306 2621 2715 934 1126 396 1138 3288 2914 3612 4519 4128 3705 4806 5092 3496 1334 2931 5082 6063 2683 4242 5343 7269 5220 5157 2479 5145 2777 1714 913 2349 1383 8597 1629 2458 3320 1881 732 1352 3964 3806 1796 2493 1889 3499 4406 2305 2411 2005 2620 1304 1657 1145 847 1161 1651 1125 1007 1461 1249 1982 1473 457 1067 1203 339 1726 1520 1842 1534 1704 1683 1346 1429 1217 1551 1214 2832 3677 1221 1560 748 1924 1635 791 1346 656 1291 1176 1384 1330 1238 1398 474 1054 2375 1621 1279 1530 1425 937 1185 1257 2949 2801 1388 399 1770 1084 2690 1866 1188 1243 1186 1499 1271 1596 1459 1102 355 1107 1066 1567 987 945 1070 1239 1180 1328 1646 853 900 1326 1329 1605 870 1198 1097 2133 458 1718 962 1284 977 997 1365 1561 1407 1183 1345 2977 1433 937 1163 927 733 1095 1398 1211 1132 1132 1146 1343 1681 730 1205 4107 4975 8761 5006 butyrolactam NIST 5767 6080 9870 7213 7187 4854 12118 5832 9501 39834 20173 24536 22779 22308 11941 8921 8984 24148 25945 12806 23505 10272 14974 16465 28273 13247 11867 11573 15087 15074 6472 20539 19428 10316 5812 16947 15094 17625 27652 23968 3944 2205 2131 2050 2132 2504 2473 1703 1678 2435 2726 2651 3203 5638 5289 6667 3796 4869 6021 4529 5087 3704 4342 9564 6556 7233 5362 6177 3919 7240 3286 4661 3840 4358 5055 4748 3441 4672 6084 7635 6578 8381 8327 5304 6634 6497 4802 5183 4729 5022 10436 8814 5638 7534 4327 26285 10590 24724 18959 bisphosphoglycerol 15248 18453 12227 11223 21236 19063 16317 14514 14004 12352 10480 16356 6852 13006 14906 17791 14906 11088 8221 13472 19916 20817 6623 11194 20393 17935 1785 1222 1774 1568 1294 1653 1137 1960 5878 1291 1662 1086 2277 1781 1515 1545 1409 1515 1708 2026 2008 2601 1382 2263 1258 2143 667 668 309 411 347 285 223 259 336 191 239 221 198 275 330 409 484 168 402 417 352 369 195 236 298 219 2445 17987 2976 1949 483 327 348 163 beta-sitosterol 12055 15482 7228 12057 18741 8561 8874 11610 10500 3389 4400 3092 3298 6651 16275 14299 15471 3301 3708 4242 5199 9799 13406 16758 17511 12639 22418 9672 14261 18219 15424 19420 14330 17706 12215 20573 16894 20294 17730 14898 44705 37135 12790 17658 11071 14366 17323 3578 20405 2708 23524 9575 5821 9204 7732 16385 19228 11788 17331 10496 26728 10616 15606 9035 13429 2794 16432 8985 6333 4845 8868 2720 4495 7265 6574 11559 9897 5398 6240 7274 7934 5276 5483 9110 6507 7911 9732 3438 4750 5250 3422 9070 16736 19610 6618 10236 7543 7607 6935 2198 10103 6950 1771 4052 8472 2687 6770 10230 6143 6764 8449 8105 6679 10173 3886 3672 5456 5989 14336 14009 6484 2804 9693 8039 8391 4727 16173 17590 18656 15411 10133 19131 18273 5878 14943 2680 10315 8888 8706 27954 34788 30230 23792 23303 38513 17238 25879 19093 15264 20039 38016 36942 16554 37463 33505 20721 27125 44650 24637 23215 19259 28455 26774 14186 26105 12219 32193 40243 30325 36071 28968 37581 52229 28596 41535 60497 61865 39804 28858 38476 31109 45006 49683 30804 33097 beta-glycerolphosphate 2184 2972 2740 3092 3741 2452 3238 1974 5017 3566 3821 1668 1574 2004 6651 4607 5641 3071 2872 728 3423 5090 5200 1670 3257 1869 4471 1037 1627 1973 1030 1766 2101 2418 1135 2071 1556 5263 2858 2068 9814 13876 12864 14009 12753 19425 19201 12663 12380 10588 12122 9270 7284 10183 10802 14963 15411 18045 15903 15835 14191 11380 17690 1975 906 10690 6050 5748 11161 4245 8076 3642 9490 11427 6369 11677 10491 8073 10039 4006 7802 5141 7377 12012 7484 7447 6195 6089 7883 9189 11195 10572 1439 1254 926 713 966 734 1074 841 917 768 1029 817 723 780 800 1339 1134 1155 1158 1197 928 876 1051 914 929 806 13712 13034 10588 6647 1506 1065 962 888 922 1196 1638 986 768 984 1195 1650 934 905 914 1728 776 1695 1770 2187 1190 1834 2324 1822 1528 1692 1045 1918 1683 1603 1176 1099 1499 1610 1766 1878 1135 1800 2214 1993 829 2184 1124 355 704 498 355 430 292 892 412 420 218 542 345 391 605 766 279 480 486 406 325 beta-gentiobiose 12354 16956 9026 22612 11931 15143 17084 15394 17237 12454 18122 26708 14127 12694 13310 14205 11852 4286 25470 11813 25627 16574 16700 13904 17290 20512 612 522 584 914 719 727 1050 648 539 741 881 334 549 813 571 802 555 804 472 971 966 510 536 671 564 828 1708 1566 886 2292 534 959 570 619 615 496 899 402 436 473 859 1068 759 560 747 595 10049 734 656 287 563 411 19244 16846 744 647 920 872 803 585 5457 1740 379 10647 10683 9950 7503 6421 8719 9470 7713 12158 8371 808 568 542 1103 621 806 757 838 976 268 718 429 994 604 833 551 617 908 1138 812 971 490 698 1085 502 402 710 882 795 767 321 522 512 467 634 579 248 364 548 448 422 251 558 916 803 516 beta-alanine 6150 5773 4895 9574 9654 4849 10603 8242 10443 61348 86453 77348 126115 89046 19734 20610 14426 59202 59089 50782 54430 28875 14631 9354 5389 5201 6764 6935 8611 12252 7629 1843 4233 1835 11363 15646 14091 17203 4988 2755 3542 3514 3884 351 3258 5374 3419 4141 2662 3609 6551 1595 589 3271 3355 3696 3190 2518 3581 3721 2765 4050 3618 4428 2239 3284 27675 9689 31086 42027 9965 41821 12694 37881 6888 29147 13116 19054 25099 10839 11715 9479 12565 2263 27130 13116 10228 26803 22562 32044 28245 31700 2000 5769 1652 2242 755 2350 1327 2546 421 1905 1321 1648 1933 867 1711 2487 3326 1725 2846 1160 2730 1519 1896 3679 2829 1328 3417 3667 33685 35419 1834 1728 1785 1674 14839 7744 22615 9653 16007 17655 6271 16949 11939 16533 10775 14921 14342 105412 99581 83050 82559 108575 78624 86237 88829 77874 93714 119007 103977 106267 51821 84347 44458 142293 59245 111110 136979 119447 79135 118773 63235 99370 96311 6437 25277 16735 20455 21148 19747 14434 21102 17588 22519 21274 21021 16087 28145 17313 17057 19406 26918 24964 19818 benzoic acid 16992 18441 31096 23581 10794 15186 14377 15812 12681 4373 5352 6066 3892 6615 11134 20287 20779 5871 5608 4947 7064 16072 20026 44420 31500 24295 46185 43490 45440 46271 32127 27556 25978 32837 33650 44537 60345 41058 45714 38837 24795 133640 59351 57915 41544 50832 39566 186637 50137 75243 244245 98496 69929 58721 113896 67293 43800 157803 26484 97742 118875 32514 50908 79560 61469 237325 32000 10396 42667 22710 39065 20604 28519 21471 15750 119807 14442 45953 45772 12033 14670 14307 20924 39765 13158 19502 18183 15163 44578 55119 27478 77040 25403 9110 265250 458194 177443 387632 365199 312251 357338 497121 1043598 736939 490424 417106 323005 203371 160587 453729 50501 200686 245285 142003 305177 456695 433576 1103217 84422 73947 19196 18688 258504 244021 285379 220721 2114 4648 3466 1157 4300 4595 4207 2151 2295 3674 2417 3872 3648 5508 6976 6876 5842 8055 5888 4100 4476 6792 6945 5651 5791 7557 5642 6749 6122 8418 4838 7811 5195 6288 5786 5979 5742 4939 6253 10230 5446 7643 6384 4897 4010 5727 6296 4915 4881 5529 3748 7318 6394 9710 7019 5233 4832 5510 3547 azelaic acid 4137 2700 117 3690 4811 3031 2807 3270 5974 3151 8872 1796 2303 4450 3911 2504 3254 2052 3664 6362 7788 3597 2735 1380 2759 8054 1602 631 1286 1601 769 1888 2987 833 924 2449 1393 1579 1398 935 789 645 664 1034 884 862 1077 921 952 1853 1122 1160 796 1198 539 628 486 527 647 512 508 292 442 472 447 323 590 809 552 528 716 1484 585 574 381 536 582 396 3766 3693 1430 1115 608 705 700 763 aspartic acid 1046457 875213 621392 1008835 604092 1206911 1248861 656296 824270 1271934 798441 662759 552352 349157 734406 530907 598137 579841 834944 771858 886698 709894 902637 38459 21445 51606 54070 25089 78006 53873 47695 27344 17710 18099 53379 75419 184627 80623 17653 27019 356632 338510 627654 345401 377055 425819 207160 228937 406459 546890 503551 353657 548763 303441 370288 201105 537606 563340 429855 252476 215065 337177 566406 572642 419410 306911 422820 215633 162608 247172 233965 173741 201618 229909 192889 283580 270534 143509 206766 235983 285757 202849 394332 275497 311343 271623 313997 230683 312940 235852 254202 231539 12010 6334 7714 5079 10074 6394 10005 11397 11309 7921 9311 7943 9788 8240 9419 14206 10663 9122 18577 11014 22770 11329 19726 9766 12436 12805 410651 394551 306598 301775 12348 13374 12873 10078 44630 45772 205862 84521 118279 90853 283970 119600 75430 145549 142184 134075 357528 354563 279519 235700 239327 143015 301670 617197 210950 221717 179757 284593 204349 136596 32181 267145 110110 207069 265932 66444 615810 161928 183894 232014 390589 182107 500046 13835 9180 8596 11216 14492 31785 11135 8163 13839 9857 13085 8690 7217 13044 13017 4922 10093 10874 17524 14153 asparagine 51777 48315 77152 50462 24341 66350 41441 23606 84060 55867 35264 34671 16345 6461 17698 13856 9154 16685 54206 25183 29554 13887 14713 39513 29234 32124 24575 15521 44707 43217 56980 45327 49093 38579 51175 35900 34315 47715 48452 44321 16806 17063 26553 35666 23646 23750 24348 20807 22730 17473 20480 25393 24479 14807 22495 21446 32743 23355 23419 20112 25361 14152 28625 25411 24226 19578 6276 14170 7057 8969 6963 7270 8520 7287 7988 5864 9769 5288 5620 6398 6520 4648 8069 7003 6695 4097 4118 7055 6869 5997 7524 6373 20383 18044 11565 15004 10248 12521 16721 12727 9775 6660 6103 5223 8224 9877 11475 13198 12659 9789 17767 17032 11892 8542 8980 9329 8223 10674 23620 21021 6051 5416 12961 7872 12777 11280 8739 8030 11870 6596 14910 8256 8204 14638 10824 7699 12826 9763 11877 31975 24333 21440 16017 16319 20790 24522 20117 26955 22338 36464 35478 17450 18374 22761 20780 19962 25723 20848 28088 24777 20057 28991 25012 26160 21647 2579 8452 2042 8495 15612 9031 11610 14874 17329 19526 16422 12958 11204 4648 12434 14790 18542 19127 15594 12773 ascorbic acid 2109 2065 2185 2803 1657 1229 625 3160 2658 2239 790 1231 2127 2270 2052 1938 2907 1908 2164 3191 428 1891 3365 1807 1012 954 1918 1509 1169 2158 1077 2062 1683 2173 1356 1258 1667 1437 1412 1677 3355 3235 1060 2447 1508 1574 1965 2075 965 863 1206 2238 15730 13458 6380 5972 211 6002 6025 6089 7710 5501 5847 5641 7685 6505 6589 491 6053 4210 6788 596 8820 8784 621 4633 5693 6291 2196 2189 1784 1375 6268 6849 5517 4195 arachidonic acid 24880 36480 25846 31322 59475 35667 29999 58204 35704 184814 108856 85685 125204 79295 6767 10486 6060 65669 120040 170411 64451 9676 7843 22126 19383 12990 28943 24171 17092 15208 10597 6868 14393 14881 19893 26476 26056 21981 16425 12585 62852 76995 32349 31060 64159 75271 95828 55974 11292 57366 49678 37850 46695 62973 57559 56265 12797 41971 51382 49200 46103 55846 6156 33318 42271 2475 32182 66197 12551 13997 23819 27087 19584 39516 6698 42622 41293 17136 21158 28454 16043 18713 21314 17695 30977 15127 23947 23078 22755 25350 21599 30515 3379 58714 13232 9885 12229 14932 44615 28349 32774 13699 15229 10799 19890 8089 16659 13767 12189 13267 18769 9315 15993 7297 12025 9905 10785 9817 66549 51571 31886 26473 17681 20059 718 3437 138494 208701 128133 92531 101671 85892 69270 105562 85183 96706 121388 71019 86987 191886 212182 138486 126830 114427 201212 150935 161155 66358 4499 88459 98552 78455 62288 112286 46280 53145 76961 77291 66051 108727 83083 139142 78788 38183 106775 10909 37399 47899 28517 38642 20046 26373 32959 28056 20866 39520 38609 24840 59037 37688 27822 31581 27733 33593 42434 arachidic acid 4025 9956 5064 5844 6566 3462 2333 3525 3759 2940 1988 5120 2552 3231 7037 4432 5549 3759 2650 3072 2562 5211 5702 2565 4387 2718 4285 2870 2382 5714 1379 3839 3551 3047 2784 3680 3379 3350 3397 2937 12083 20652 11624 8560 11258 17561 10038 8773 4983 7202 9088 7089 9395 12397 5031 10183 11072 12606 10594 12466 14401 8065 2476 11294 5646 10456 10350 9620 8006 11383 11703 9109 12313 10740 12843 10163 8224 7679 8623 7430 9411 7500 10528 9077 7834 10515 7283 7999 7312 8488 8154 7966 6410 8774 3661 5122 4372 4053 4082 4832 5242 2482 2652 4037 2500 2381 4095 5802 3453 4100 6855 3056 6487 3815 1607 2731 4135 4050 12516 8907 9882 8634 5079 5572 4494 3016 8416 7417 8714 6754 5500 5886 5123 6875 4061 5080 6095 6120 4687 21421 20233 52760 35306 27203 21499 33611 19666 21360 21428 13573 22615 5557 6319 25470 13962 5889 19331 23800 18028 17483 22433 22492 31802 17790 12219 11053 6477 4462 4322 1729 3356 3204 7330 4091 5915 4085 5184 4985 5851 4342 3641 5439 2937 3629 3427 arabitol 5825 12653 10529 9038 5540 7235 7441 4548 11525 2852 3614 4045 4998 3743 9366 9589 10359 4316 6116 1540 3798 12071 16164 12913 10485 15399 5433 4367 7411 13746 7287 7327 8774 13883 10941 8828 7744 9342 11434 14607 10578 7621 8262 8967 11092 12050 16203 17402 9777 12827 9044 7333 15590 7463 8558 10485 9704 10541 9076 7404 13876 6423 10809 8981 13815 9391 3633 3835 3701 4692 4808 4626 4693 8811 4021 4263 6197 4919 4443 5006 4844 5772 6687 4600 4459 4982 4742 4605 4401 4171 5712 5047 12597 10554 9974 9927 7884 12559 3113 9376 6612 5188 7324 6424 8953 6551 7428 17655 12964 10464 11152 11676 16156 8897 2889 7771 11205 3569 9832 10610 1139 4586 10855 10331 10296 7827 aminomalonate 17917 13687 17672 9847 7087 15033 11906 13286 13201 70716 75766 67591 68983 44808 19621 19696 9891 50774 55534 63311 56883 19865 17822 20814 15686 15520 18363 17240 24425 26219 17810 11171 15515 8297 15021 20696 23710 18383 12180 6818 4170 2298 4945 4439 8149 1217 3297 3861 3533 5006 4262 4330 3276 3853 433 2224 1454 3708 8747 929 4453 4203 5471 10617 2878 1690 24436 8105 10916 13144 10318 5152 8776 11172 8349 13545 9101 891 10718 6499 8948 8331 7543 1450 13684 10460 9280 11833 7980 11306 7782 10220 13874 2367 6203 4504 560 4237 4752 4058 5194 5867 6043 4702 5746 6701 1225 5851 6598 4159 7539 1611 6860 6107 7728 7210 5403 9039 5394 4736 16385 17392 4791 5022 5344 2836 3827 4594 2383 3119 695 2782 2681 971 406 3156 3762 3482 2859 69214 50585 64467 48372 64853 59189 47604 42353 41873 43807 15629 59061 3851 20903 36724 33302 49894 35802 63886 40198 42072 64311 45361 39270 60578 32496 4881 18945 4994 31273 20288 30546 23002 29344 16286 18993 26617 16341 15455 8239 31557 28666 27367 26108 14525 12841 altrose 1290422 16795 1352908 15206 2235001 902066 892354 1760305 1107232 524774 919345 1032802 739970 144280 3279548 3988678 3887205 911067 849169 810953 903528 3215767 3558841 3169936 3521442 2320976 3398138 3495716 2976399 2906331 1717895 3267295 3673568 4087823 2583186 2132640 2148352 3376726 1733698 3394785 alpha-ketoglutarate 893 1606 1751 1677 1812 2359 1027 1343 1929 1976 3974 4645 6094 8653 3322 3379 3078 4770 4920 4142 5980 3063 2334 13578 10553 20725 4484 2128 5709 3962 9088 15360 4035 10875 5657 23536 6692 9417 9876 22411 1894 588 3686 3571 1550 4742 1145 4364 2705 2127 2318 2691 2033 1666 1217 2035 3857 4983 2619 3261 15760 2249 2480 1834 2000 3026 475 445 263 786 266 768 1150 534 365 706 465 489 475 360 654 531 674 902 446 400 453 484 496 603 591 388 3604 10163 3412 5717 3065 4114 4284 3483 4745 2341 3060 3087 3806 2123 9050 1986 5986 5371 6215 6579 4290 3355 6229 6010 4249 4201 4038 2217 459 474 7545 4965 1820 1973 416 531 562 481 959 633 589 514 494 460 389 1550 516 1679 1156 987 713 1073 1375 709 2074 1318 1563 724 723 1110 1184 1350 688 1183 1059 723 1604 1058 1249 1804 963 538 2487 10312 7291 12177 852 10763 14998 12591 17125 10063 4692 8246 9569 13686 12987 12916 6953 7773 13078 10388 18310 alpha-aminoadipic acid 672 654 1103 1240 1320 819 1070 769 920 1024 1173 1038 994 744 977 884 1508 995 856 911 928 925 937 1288 919 974 1352 1003 2544 2354 1740 1661 2817 1788 2307 2247 2370 1688 2149 1603 1480 997 1773 3661 1761 1448 677 679 2891 4665 535 1569 907 798 1344 1396 1711 992 1195 1041 1327 1065 880 1117 1369 1048 1296 1613 1217 1195 1184 1549 1001 1036 1284 1293 1238 914 1049 1153 1947 2308 1190 1061 1908 1558 62 118 199 64 139 128 96 217 123 144 162 150 245 1298 1272 1747 1531 532 1370 1971 1089 1996 1599 1137 695 1361 1227 1851 1788 1983 2623 967 2074 1825 3122 1849 1886 1537 1357 519 573 359 797 625 771 608 932 804 815 439 595 1751 343 600 645 773 947 572 1241 allantoic acid 11590 17657 17522 14960 21808 8768 9027 15761 10680 110049 59068 83149 42640 98044 55977 61320 61454 69006 72552 17859 47640 46181 46052 36078 53674 35293 53907 52173 41928 41749 34634 38872 42760 52840 33996 47727 47368 52185 61020 40764 7466 7265 7870 8448 8257 6540 5477 10527 6713 5998 16002 6379 6471 8091 8255 10778 6184 6529 6821 10372 23749 9348 6455 7971 6799 15068 23353 33346 26171 22657 28969 31584 8870 28157 29852 33157 36562 28129 32414 33562 32980 27610 27892 28960 25656 33249 28291 31556 11243 32696 34888 36014 12462 15022 9530 14292 4561 4846 16525 20822 27129 9177 15359 15601 23862 19689 19167 12788 8171 7129 6695 33445 21705 22849 15340 11162 25080 19654 8578 8760 33476 30164 20204 20389 8185 6156 399 1514 326 327 364 391 252 1452 292 212 1189 329 596 6435 5296 4081 16151 4705 16159 10510 15417 27325 13335 8317 11417 5143 19092 12392 17519 6479 8473 20274 4978 3242 10867 14082 20814 21273 19065 1081 1118 1390 23482 19879 27897 21671 15171 19714 2125 9096 13616 2420 9966 13762 1584 1699 2558 5567 3207 alanine-alanine 6861 4805 12770 13727 19514 4309 18234 10910 9281 6421 6591 7413 10044 14390 8390 7833 6215 11194 8836 16811 6622 14672 7354 25296 1535 5334 17371 8490 13198 15502 11633 12705 8725 9899 7751 13551 12032 14813 10462 913 2415 2256 3470 3049 3007 5635 4501 2684 4022 4871 4165 5008 3382 5470 3573 5449 4492 5427 3391 alanine 1935281 144406 2074047 1961344 1411100 2352361 2856596 1743146 2300158 2630128 6538821 6280772 7984256 9846055 2084201 1335923 1543351 7745554 5351057 6514797 6657056 1284128 1725974 2427429 1863238 3142864 2679369 3294522 3761907 3252954 5603470 1774771 1970346 1163270 5016133 2245789 3429335 2414686 1451583 1509610 278109 331944 472629 444278 421905 389048 288043 327615 286534 400505 397038 418498 395164 288873 470127 474236 509844 480396 326737 400868 464311 264055 329924 364659 256052 560244 841725 983664 579432 871100 711074 750194 913684 667256 1006768 913670 910428 605726 749874 1015136 986229 1848388 1030852 1141272 994890 1006441 963876 701939 650890 566515 725033 663137 2221152 2082051 628249 806927 483816 664925 987525 437951 782845 530803 472504 190949 506463 764830 1060930 1262462 1013238 702705 1155166 1117799 910396 801497 785437 470328 634026 898793 372684 357099 556736 648887 832883 801705 637337 532955 1150760 445706 977680 563199 507907 518890 1130034 1011653 919467 718135 860134 708117 927710 2600869 2004888 4015667 4342103 3986512 2254016 4653814 4083476 2723825 5952834 2286247 3606094 2989633 5287420 4337243 3936027 3991153 4898441 1949062 5117309 3862208 3638938 2705681 4530254 4783364 4278368 930314 1557161 950168 728347 1994336 2000483 1949897 888971 2937160 1678285 2199812 1969631 1013545 939362 863827 1153617 1520922 1219159 1948091 1159224 adipic acid 4298 5757 6582 6601 7232 4516 3654 4316 5066 2817 5123 3327 3262 4167 6402 6696 8208 2383 5911 1609 3027 5831 6321 9982 23645 7026 9445 11367 6933 7431 6457 5190 4239 6588 6341 10886 8410 12329 8017 6333 9531 6959 8374 13168 4998 5240 3886 7627 4487 7429 9712 4100 6721 12255 4251 6234 6699 3356 7213 12475 22032 6162 8909 12855 4835 4768 2915 1959 1818 2341 2735 3046 2042 2291 2008 4651 1772 2355 2756 1682 2492 2766 2181 2857 3260 3116 2978 3587 2385 3610 3818 4771 3225 3685 1752 2851 1825 2119 1364 1818 2116 1187 1431 1674 1494 1757 2144 2312 2009 1962 2703 2568 2191 2665 1998 2055 1678 1870 7748 5384 4007 3514 3703 2904 2416 1723 adenosine-5-monophosphate 1893 715 1114 1803 809 1609 566 625 3300 894 1099 282 1008 1639 77333 124169 113357 263 1181 798 1113 86877 111092 638 750 286 2602 254 796 558 440 906 297 974 292 562 985 716 1686 765 85977 200126 255842 62425 29736 157100 19553 112092 33742 103377 63713 157034 137042 54816 10652 74092 145373 117416 80628 55931 140399 76345 32248 101140 128031 32126 27280 18263 5273 8111 20405 15404 8055 17684 15317 12389 18071 22780 23220 18570 17370 48653 37999 36040 14105 37708 74141 20874 8413 18286 28841 38117 410 739 267 287 237 361 275 225 398 201 261 278 320 304 489 405 218 248 342 584 391 302 172 206 248 311 104452 86814 31052 27386 445 277 333 231 7504 4903 2583 2765 2612 25267 9161 3657 4111 3040 3572 26583 3826 14067 13257 15959 13665 16837 19031 14135 6072 22270 13674 3374 12659 9252 2478 14468 5837 6660 17601 17633 17181 7268 11849 18161 20167 3762 5945 336 187 98 76 155 237 140 125 147 120 59 196 96 114 173 90 250 751 201 85 adenosine 503 2177 804 3493 547 1596 1468 955 2696 293 322 305 683 611 19724 20233 27206 490 423 281 791 28929 17180 690 798 1095 343 767 328 446 673 571 920 527 382 888 299 1576 776 516 88530 29079 52146 43969 27805 34999 18602 47489 27534 20304 32196 30952 48060 26377 26049 110739 32947 60092 106237 43192 39052 38088 27461 35192 26238 19256 13186 3136 383 4244 17189 2682 2608 22687 5031 6792 8873 8918 6555 7153 13254 22452 26879 32230 9446 48626 28717 10501 4868 9516 12994 22592 249 960 184 175 166 92 82 101 184 173 125 112 145 184 162 248 203 135 144 181 160 356 145 151 154 112 55597 51791 18772 16066 135 90 184 234 1835 2189 2232 1300 2174 4591 3138 2037 1741 1252 1161 3077 1903 2267 1451 1724 1590 1946 3357 1333 1512 1713 1406 1592 2217 1959 1858 1838 2459 1342 1493 2025 1380 1607 1652 964 1886 1099 1858 460 408 140 138 150 504 94 216 89 114 2263 117 1654 534 176 92 727 5498 105 85 adenine 23970 36515 26293 24744 26239 35915 19218 26632 23781 31806 28295 23847 28426 25307 25014 24914 29854 23638 21137 21692 22714 24375 24667 17529 24502 24653 11852 14320 8824 7121 10870 8970 6409 10260 9481 11076 8171 10260 10090 8191 8435 11367 8633 6224 12442 9661 3479 10968 7831 8681 7845 14872 2044 1500 994 915 634 925 1632 883 1135 668 883 668 690 879 865 1354 953 1634 851 592 643 1125 882 945 813 659 24983 25342 13251 11303 2363 1128 1434 1008 4765 5023 4699 3456 4668 5187 2469 4661 4704 4065 4930 6918 4134 7155 4347 5467 2203 4816 4520 2879 2427 3848 2180 5986 6445 8427 1869 6062 2826 3126 2521 5970 3229 3351 5163 6744 5180 3034 3173 698 389 316 31219 441 841 515 28936 260 391 510 35508 350 38742 424 468 552 393 28564 518 aconitic acid 677 2354 1156 735 1588 1039 969 708 1865 464 594 165 386 818 1885 586 3396 765 1038 199 1130 1040 670 1408 3354 1112 3945 920 1360 1174 1938 1296 1158 841 642 773 606 2358 2010 1294 6(5h)-benzo[c]phenanthridinone, 11,12-dihydro- 3522 2005 1475 2426 4772 2231 4317 1944 3003 2054 3261 2294 2277 3825 4348 2886 1725 1430 3452 2386 1723 2924 2048 1992 2284 2739 1779 3041 1714 2174 2460 1907 1414 1884 1614 1542 2114 2023 2519 1779 2244 1881 2065 2141 3069 2783 1733 2055 1879 2005 1897 1605 8107 8929 3603 4142 2860 4006 4015 4379 5451 3365 4237 4178 4691 4263 4617 3359 4459 2613 4582 4667 5226 5842 4550 3476 3894 3787 1173 3002 1295 1446 3954 4406 3627 2775 5-methoxytryptamine 416 3201 811 1944 394 1672 571 459 3713 445 662 592 326 593 415 554 248 1123 826 555 573 752 490 30639 757 30535 6326 19499 22298 27963 27652 3248 8317 3502 24007 18459 26357 31886 2110 15836 722 467 1258 272 531 647 1064 606 267 662 284 637 704 2542 825 802 929 666 705 737 589 1729 1157 383 1799 601 341 1580 789 216 1038 1722 796 466 1674 1784 696 880 953 347 41000 672 55004 33535 61691 50126 45109 31760 8340 38793 433 48007 68387 40109 16713 40389 83805 25933 36442 5'-deoxy-5'-methylthioadenosine 1072 719 523 3682 483 2014 787 563 2254 288 352 271 263 276 4987 3792 3722 301 350 638 815 3464 3686 894 784 720 1196 601 449 519 507 326 1015 885 701 391 381 2026 554 278 5-aminovaleric acid 1946 2326 1470 2282 3001 3174 2284 2443 2632 2993 2482 1839 2574 1514 2191 1423 2926 1807 2981 2049 2627 1253 1832 3390 1953 1982 767 1138 1110 543 719 1063 1530 1785 1090 2152 791 1189 1434 720 1448 971 1409 921 1506 1275 999 902 1999 3155 1851 2204 2826 2497 909 1695 572 1689 1754 2184 1186 901 1118 773 2135 684 1621 1462 2095 1060 2812 956 1787 1020 1099 1514 1316 2695 2376 2678 1718 1598 1338 1522 1008 704 369 531 730 284 579 234 267 681 305 1382 718 575 581 2246 1896 2203 792 1415 897 1942 1089 1218 1753 1446 1559 2507 913 1254 768 1356 1383 808 1369 3490 2207 2255 1931 952 1562 854 1499 2412 1472 1396 1474 1386 1298 1335 1346 2418 1283 1238 2160 1460 2158 1626 1924 3722 1073 4-hydroxybutyric acid 5550 6353 8843 6184 4390 50536 43525 4826 6744 1397 2568 10015 4059 2845 1407 1171 1200 2935 3568 2199 3125 1612 936 2158 4261 3663 2715 1781 1922 2022 1970 2358 2753 2327 1414 3145 1654 3202 2981 1855 3580 5199 3241 3938 3630 5282 2867 4393 3256 4001 3788 4969 2406 2852 7403 5174 2421 3326 2600 4480 4190 3953 3529 2218 3273 3532 2095 1543 1419 1402 1632 1839 1305 1909 1452 3125 1546 1946 1803 1681 1525 2156 1555 2185 1957 1691 1744 1709 1942 2234 2157 2761 4773 4085 1937 2710 1400 2113 2076 2685 2754 2211 2609 2382 2052 2109 2529 3181 2706 2283 3452 2135 2824 3108 2888 2524 2592 2075 4453 3933 2334 1833 2704 2358 2129 1905 12060 13484 7053 10951 12604 22645 11554 4219 8874 9690 10169 18510 3880 13901 14051 15902 9446 19063 17588 7312 12891 9384 16945 8299 11383 18275 7360 15581 10473 14051 3943 11486 7970 14375 16538 13585 2813 10780 13873 8533 16362 12377 14059 4552 13081 8793 13806 4396 11248 14086 9147 11589 10052 3206 16060 6442 14473 21947 14107 4-hydroxybenzoate 2310 3291 1952 1852 2017 2071 2289 892 2817 4179 1948 1793 5498 1396 2012 892 2701 1438 2667 756 2859 1313 1643 1421 1101 1904 7011 7746 21186 18552 11817 1118 1111 1217 13073 16201 11734 14190 1711 1559 1099 1799 1297 1466 2159 2239 1173 1361 986 1713 1461 1271 1346 1143 880 1610 1347 1638 1699 1254 1939 1183 1353 1965 1256 1058 1502 1171 617 814 477 670 764 769 699 1205 553 551 621 560 558 595 561 812 849 535 868 390 465 597 884 951 12164 8779 591 773 580 697 606 809 776 538 560 507 507 579 903 1205 869 549 900 737 1031 749 580 505 769 570 662 1351 442 776 848 1036 727 577 4-aminobutyric acid 3112 2635 3068 2145 2601 2812 3908 2449 4269 193341 160981 179329 189350 141949 2571 2437 2183 98110 155727 81805 95087 2725 1711 1309 856 1595 1443 1319 796 1430 806 1268 2058 679 1111 5148 950 4030 1492 1465 1412 1072 1286 1563 2701 1169 1348 1773 1039 1763 1994 840 803 1287 1192 1077 796 1495 1714 679 782 560 1140 1292 479 1010 1239 521 1110 2005 871 1072 1380 1810 117 2589 1271 2268 429 1210 773 1012 916 1259 1750 920 815 408 1910 3008 1895 734 161 415 147 305 175 138 148 150 49 123 135 145 134 146 246 243 177 151 330 227 343 146 144 230 203 150 1278 1409 1919 1856 177 172 209 235 653 608 1199 91 462 605 193 933 344 786 293 164 560 11780 11910 6840 4117 4401 2520 3054 9702 3490 6361 4611 7680 4664 14041 4260 864 3152 5729 2589 3607 7219 10886 5500 3255 5043 8291 179 114 92 44 54 321 94 107 78 99 161 103 53 98 88 109 151 146 197 155 3-phosphoglycerate 30016 63278 51298 42317 48077 40823 24652 12804 25458 6363 18948 33882 25848 24914 6358 4939 11522 25581 17232 908 18693 6104 5497 940 3451 1233 4340 844 447 2104 246 580 943 581 300 1000 437 2652 1974 1440 24091 10498 20086 20525 20769 18745 22138 31946 56316 17769 82266 7961 10236 32454 39300 12281 19456 22847 5704 57143 59201 25647 14314 23142 25547 81052 2130 1692 6109 4360 549 15180 24662 2287 4242 20754 1776 12074 9735 3859 1769 2928 2787 4801 4770 1624 5165 4368 7155 1452 2425 4379 792 582 176 219 169 200 181 285 300 157 187 286 252 154 282 378 571 245 308 239 249 284 190 185 256 186 7635 26505 7268 4840 203 162 271 218 17089 108176 20555 91151 47634 1797 2847 59296 53664 43634 50136 17438 11513 153926 118849 190431 191506 331480 291845 132189 187811 228015 216463 172994 220727 281293 71992 319650 323808 294638 349523 399477 304133 157873 119844 179277 177913 115537 109561 394 829 170 373 141 614 240 565 164 116 729 651 184 318 235 242 1691 1153 3320 851 3-hydroxybutyric acid 7528 33592 332907 32055 6224 18253 16597 31031 18344 24117 13322 31830 15619 24219 102206 218947 204030 17022 31421 16241 16743 147088 95152 207515 500009 483276 316348 177364 134095 72651 67667 253868 308578 363434 89470 206412 191519 99805 329712 215078 11986 17320 73029 67049 42608 33924 18036 57144 19283 56749 47045 39689 47793 20778 45901 46495 85261 71728 4162 57927 16503 43738 20814 29413 27225 50121 17825 25687 17075 29934 35887 48467 41819 25359 65888 27615 17158 25698 25692 32213 39496 33046 51184 25768 23095 30181 57444 19697 45354 31406 27236 33410 198364 155861 145801 278045 141799 215319 260496 238929 497841 334029 297980 233127 312729 212645 205867 182293 345569 124492 158361 236335 359888 364248 310161 201044 175589 198170 44857 44955 27270 28655 227032 220080 171229 135937 13736 5609 10260 5754 9003 22627 16978 16314 1755 6680 7500 6346 16716 38374 54284 35799 30695 39431 62593 31475 59472 39943 29332 41003 46780 2805 44920 35847 26465 29551 30840 67049 5286 29630 34387 49647 52346 29742 52277 258800 149947 306422 374973 209063 313965 239939 24915 86236 85584 19985 302814 333393 109150 179236 86261 215765 32277 160959 330441 3-aminoisobutyric acid 783 1252 1474 458 760 416 481 1191 818 407 536 443 315 8890 2164 7858 1237 1877 1986 5951 1743 5627 2230 2192 7731 761 1450 1786 3978 1884 669 7750 5407 5108 1792 1948 1777 7519 2363 687 1460 739 1305 1028 3619 905 3936 1156 1443 1170 1066 369 1540 1188 3495 3325 1484 3458 1669 3,6-anhydro-D-galactose 1529 3028 3370 2376 2715 1655 1247 743 2366 4580 4619 6055 5378 2132 2266 1575 3825 4528 7494 2011 5211 1375 2280 2050 2429 1575 3563 1693 2395 2352 1707 803 1289 1043 2011 4402 2281 2963 2051 1655 3,4-dihydroxycinnamic acid 2100 24857 1574 958 1358 9568 3034 846 1219 3505 1536 466 2038 1764 1733 3857 1883 1008 932 1412 1598 1257 779 1564 671 806 2128 2371 758 2135 1998 1629 1721 1565 2517 1960 4561 1256 1472 979 1100 870 1128 955 2475 1407 1036 1493 919 1419 1126 1869 940 1056 944 1100 728 455 445 524 458 473 346 853 497 476 971 852 536 539 660 656 641 503 636 407 525 564 893 1161 889 3026 594 702 582 426 3-(4-hydroxyphenyl)propionic acid 131 555 169 438 170 238 121 243 214 341 311 294 141 629 414 668 879 1164 937 305 774 1011 730 620 983 982 289 1067 1233 807 1214 1387 1051 801 470 663 562 578 513 2005 1221 1294 1101 1965 523 632 616 890 889 1011 1379 931 1748 1039 751 1071 2075 1090 633 3-(3-hydroxyphenyl)propionic acid 561 567 404 368 319 422 706 275 682 438 487 616 458 222 241 268 308 407 250 238 185 238 175 209 184 345 155 264 245 252 182 276 388 233 253 197 209 232 336 3168 1717 953 588 2359 424 612 1615 2706 1386 929 2132 914 2299 1207 804 1277 2041 1594 926 2-picolinic acid 3797 6329 4236 6565 6967 3699 3115 4156 4204 2918 3033 3864 2796 2889 2366 3024 2194 2585 3047 2357 3223 2683 2328 4367 4383 5917 3860 6714 3897 5186 3762 4095 8444 3890 4155 6508 3895 8100 3744 3331 2-monoolein 8711 7648 18489 32056 8554 6267 11143 7995 6842 9652 45112 3783 3892 7602 8170 9888 6353 7130 8232 3043 45660 7402 29883 2773 2622 10632 8650 6697 5999 6961 14325 7782 10285 9369 13822 12703 8768 5149 8433 6209 5862 6004 7508 12401 14008 9548 5568 4634 3040 4540 3771 7201 2564 2494 3185 1433 8581 3766 2745 2764 2019 1026 502 621 4619 792 1840 15577 1520 4993 2041 1198 1017 894 917 797 743 670 31422 10481 14710 16265 4896 4160 7838 7587 11259 21785 15424 11855 1044 14347 12873 1033 10075 9212 7152 14953 8957 19624 35116 27992 13862 31555 29444 18296 41939 23226 34633 35237 27034 16367 36759 19617 22404 17508 18795 24857 10346 13481 51906 22679 22754 25146 15053 20795 10015 8018 9992 7805 6117 7834 9866 7546 8276 7268 7742 7071 9218 8744 7561 8827 8938 8043 7409 2-ketoisocaproic acid 69284 55255 53704 81959 61001 61870 60374 62574 69583 4732 15796 37039 6647 34545 6611 6948 4886 31527 26563 24524 29194 4758 4837 47411 40569 41414 40670 30200 29843 44608 28250 103978 41979 55088 30792 76704 26259 49955 85015 113912 23287 27717 16897 16661 18246 25678 21036 19422 17159 24307 13488 18613 18436 17076 19743 24325 22361 19559 17839 22289 12029 15393 18776 8879 18757 16117 10429 7990 7023 4899 2977 8954 2629 10524 4090 9742 7750 8894 6721 6519 4491 8428 7185 3890 8604 6989 8863 7675 5809 6789 6557 11368 65588 108387 23619 86581 16562 42451 31576 24711 44463 39339 48648 25191 38581 28574 64130 55242 45517 37278 63435 53998 36291 70604 60834 32456 48778 47223 24198 19494 6231 7902 46154 44844 22779 14698 4805 6154 7141 5974 4366 6376 7380 16750 12347 12673 5587 5204 5119 8172 12300 7563 13880 9169 9739 5769 6695 10270 8400 6430 8262 10013 12874 8422 9622 10913 6910 23458 14227 7440 9388 8480 16620 9331 8450 97915 90363 56672 39630 87992 56478 104733 84985 127099 72056 60921 52958 58474 101972 86973 89465 65211 112178 85059 99845 2-hydroxyvaleric acid 3096 2109 4265 3686 2962 4529 1767 2632 3143 2673 3352 2573 3274 2496 2463 3914 3455 3305 2791 3022 5421 2785 2915 2857 2911 5420 3570 5615 3545 3714 3807 4476 3207 4925 4177 6668 4541 3624 3280 3273 1730 4949 4526 4752 3437 1974 4201 3996 1851 2061 4226 4405 6162 7701 4966 7366 3728 6128 5467 3959 7164 3865 3994 6095 6767 8812 6965 10871 7202 6556 7809 7808 8775 8230 7662 4783 5881 8515 3070 2611 1902 1109 6155 5319 4536 3239 12192 15164 16277 12843 13254 17013 10140 9011 13683 14902 11990 18122 12962 14786 16154 12459 14562 16971 15611 10879 12512 16673 14700 23746 11914 10762 11671 13751 15459 16170 7340 17113 14584 6770 13171 16153 15444 13162 17176 34825 15488 10551 12763 15098 8180 13673 14347 13967 12874 11943 13996 14560 35635 14348 13379 11138 15448 14723 12699 2-hydroxyglutaric acid 1039 1058 1744 1430 2501 1650 323 714 1689 104 1140 551 901 962 1644 1265 1408 788 1855 856 1790 1382 1520 2498 4836 2481 2069 1268 1491 1735 1104 1750 2331 1305 2341 6383 1968 3854 2623 2347 2021 2682 3495 3784 961 3049 2198 3203 1492 2178 2923 2626 2893 2660 1375 4025 3863 3163 3199 4784 4515 2660 3093 1964 2527 2311 692 460 526 1042 433 528 516 589 629 861 439 663 405 308 356 393 386 654 909 383 599 614 358 428 693 531 446 1323 385 1253 173 783 801 657 446 91 643 915 633 564 578 1222 358 853 958 898 1046 1081 995 664 161 545 8004 8738 1169 938 1181 915 897 676 240 367 246 422 181 89 103 235 216 243 315 570 390 616 358 1661 971 1048 263 501 788 977 1044 603 2729 1611 1492 799 768 820 803 929 324 1051 1628 1277 446 1639 1017 964 294 877 1225 1014 1195 1090 990 665 432 651 2655 1545 947 673 672 11949 5035 16008 5119 2-hydroxybutanoic acid 6519 9343 25172 13333 7185 6634 6021 6839 9776 20632 10720 5312 4354 5981 66359 68804 87521 4275 16101 28248 6448 83140 65430 34212 148819 225159 280167 22821 47720 23833 42158 108667 107021 463546 79886 293963 64814 80776 597265 276067 2584 4853 14063 18854 10666 10766 7053 14835 9379 13710 20766 13021 12857 10070 15153 15288 18527 23120 7162 24383 37732 18171 14499 11583 12287 24018 7038 16176 12985 39259 26816 27646 31107 22091 33000 31860 20685 28150 23252 39437 43726 53418 30430 33849 28592 38431 55538 32793 20823 21430 11359 40571 32397 271691 105543 139352 94300 92829 97054 105217 124602 101746 106880 105105 149604 94389 137657 266044 178248 138718 84049 176932 152679 185535 151077 66106 112771 145750 16103 15396 26315 26178 128482 127879 97754 79622 114202 2354 2905 144465 4319 10733 10443 5084 4398 3369 4038 2647 14492 20864 49483 18039 14857 19444 21556 9571 22997 44571 33034 21884 23634 13902 22151 22678 60245 28277 24549 32841 25431 28308 28050 18397 21499 22083 27434 118737 67386 46496 55507 49773 50955 35685 57741 49913 53943 21839 100367 189787 22919 52191 52272 58572 69004 36825 202564 2-deoxytetronic acid 1047 1237 1410 1219 1724 1513 1070 875 1050 1477 1467 1284 1361 1264 1122 1621 2059 1920 1432 1049 1896 1084 1231 1214 1198 1407 1163 714 1104 1797 728 1094 784 980 749 1323 1004 800 784 705 911 1141 1028 999 1549 952 1332 826 855 896 1407 1047 3076 3137 1447 2259 1299 1667 1158 1566 913 1390 1833 1576 1447 914 2135 1256 2626 1572 2464 2548 3137 1794 2173 927 1968 1853 1524 806 1122 1156 2135 1794 1737 1172 283 260 282 295 511 182 381 293 367 322 177 312 336 420 221 1271 1158 1454 1298 220 401 466 1402 753 1651 1875 1644 1253 290 1884 390 532 380 273 1097 417 572 456 514 1728 2758 1272 2203 1095 1976 2706 2713 2244 1955 1731 1387 1837 749 3205 1585 2636 3257 2768 899 2-aminobutyric acid 28650 31073 17727 40225 4182 18431 22165 7333 15750 89121 19365 21014 25136 33001 14766 8986 55349 52817 25886 43516 44821 54228 22944 25505 37972 84765 371983 44833 42636 25531 124947 30454 40167 130557 195750 118040 59532 85407 197790 73310 2669 4450 2426 3068 2438 2406 1603 2173 1684 4292 3120 1394 2239 2738 3181 4847 3234 4414 2793 2640 6036 2649 2631 3321 1982 3239 3812 13422 2992 8600 5236 4732 6761 5055 5837 7204 5875 5470 4687 7517 9101 14973 10474 9533 7527 9740 13068 7477 6263 5377 4150 8164 29943 100927 8597 17001 6314 12611 14072 10605 12785 15421 6664 9736 10542 8423 19212 27083 21075 25140 15574 12609 20986 19210 21757 11345 9435 11723 2465 2660 6421 6900 13455 14333 10801 6430 39981 2697 4891 44182 56562 66700 47128 4803 5587 67854 5506 46334 10825 13547 13027 13567 10911 12026 8290 10582 26510 10019 21595 7851 27934 6926 14152 22732 22943 14270 18769 4831 21515 11464 22358 8155 17935 16909 35678 56419 51755 6782 9241 29295 16606 25438 23619 30283 44157 26862 48539 39608 2266 21590 32488 29467 28239 13214 54737 2,5-dihydroxypyrazine NIST 23028 36192 20713 23074 28780 31109 22919 33856 24847 63654 78588 81940 68273 76143 203209 161611 215788 56227 55521 16237 53236 217444 187952 1813 1117 1336 1391 2001 1738 1952 2095 2243 2212 416 2501 2745 3049 4013 1440 2125 25886 28263 31160 34668 19817 31658 23661 27770 28571 33086 38445 27909 29851 28771 25043 23762 30960 38671 10258 30831 45901 32351 37568 30429 26299 30006 63965 51900 26381 24334 49638 36890 49550 46087 51057 61190 35337 54340 44036 46867 36567 39693 54068 51207 44336 50925 71303 44217 42227 43182 49168 43992 2225 1655 1354 1144 1680 1061 1162 1205 1264 1138 1509 949 1195 1336 1058 1877 1295 1028 1380 1191 1332 1465 2346 2376 1788 1139 30223 25589 41191 40658 1986 1823 1861 1280 3131 2890 1057 2667 3868 2127 4536 1122 2623 1567 3174 1297 3166 12908 13496 8118 19138 24647 6912 11298 12761 11427 26883 5341 12040 8551 23811 15090 5964 17507 15005 5898 11382 20877 20055 8998 42879 5561 12511 503 698 2106 690 421 1419 506 438 231 636 444 171 380 829 679 357 450 399 634 492 2,3-dihydroxybutanoic acid NIST 472 746 609 1149 1185 1119 359 499 2093 563 835 298 370 441 604 368 659 653 270 427 766 641 652 7403 5269 2979 3827 4639 5629 5565 6302 2944 3495 4157 6629 5023 5461 4987 3614 6057 273 210 277 264 213 231 123 137 256 251 139 127 185 247 326 653 388 405 242 232 201 273 331 318 411 398 232 279 374 332 362 406 217 252 167 382 254 321 215 2926 3617 9121 4311 5044 2061 1584 4729 4278 2891 4491 3604 2635 3188 3425 2503 5270 3844 2015 2642 1-monostearin 1684 2323 2087 4788 2947 2369 3544 4125 2482 626 3705 5015 4338 3857 2386 1549 2668 2202 2321 4277 2158 3236 1822 3649 2192 2757 5193 3907 5017 3726 4920 5048 3922 4645 4887 5177 6231 3955 5826 3839 1408 3349 1377 2048 1001 3105 1357 480 1924 2720 2684 1534 3948 5141 668 1877 1959 2491 2513 982 4185 1510 1090 2695 2772 1900 1548 1183 798 1072 1177 1364 1087 932 1431 423 922 1042 557 1325 1078 1109 779 1131 286 915 646 1188 1599 1295 958 1849 1551 1728 778 653 1035 912 642 472 727 421 456 473 906 737 610 984 663 818 1076 426 904 692 681 509 694 806 3503 1570 955 902 963 985 954 930 3937 2831 2744 1741 3225 2538 1817 3747 4218 543 1359 3648 1942 6747 3517 3758 3693 2799 3876 2399 8358 1158 758 6811 2747 8175 2954 4527 4004 2205 3876 5161 3129 3546 7309 5071 2780 3685 4029 1623 1923 2855 2980 4797 720 592 6188 3771 8557 2875 3431 3529 7930 5754 1003 2837 3682 4580 2271 1-monoolein 27977 1817 26293 26848 15909 8704 22487 12157 27798 27422 25037 15294 23454 31557 11452 22431 14659 29453 14270 26910 31982 15511 33560 7221 10467 10347 10282 9212 50525 69451 51100 74593 92256 9387 78063 12325 61509 62302 76032 62205 29805 5252 5294 6552 15526 25683 48182 51177 75075 58256 33791 14190 5078 6702 6165 5155 87582 2846 36225 903 3127 3086 1392 2972 39547 1911 10672 89568 3317 3029 10319 3679 6658 2285 2182 870 10347 3092 44482 21108 73897 69228 14412 12809 92418 84056 1-kestose 345 386 419 518 589 380 232 237 415 241 469 207 289 425 279 336 436 431 505 479 2676 209 401 360 234 229 2538 34802 2680 2341 35988 2609 40653 2286 58086 3532 52731 1605 2216 26887 15542 13871 16128 25480 1626 17074 39879 1776 2330 2815 983 2718 335 417 250 1000 211 325 244 183 229 168 287 161 194 190 330 558 386 291 332 277 2186 245 105 264 293 367 402 335 4433 1701 771 652 183 204 1,5-anhydroglucitol 24516 51533 26198 29854 14540 48117 28479 25056 59829 7271 20623 25029 24943 6280 18863 46125 33047 21759 14878 6977 115024 29622 28203 189133 489876 187147 145541 215253 489625 420364 592860 190497 443752 383478 548766 460627 567288 603659 415448 348497 44927 77537 30596 41485 31844 36624 17890 19714 59982 46864 59044 43451 38127 46060 27988 28589 36493 37478 14364 34844 69181 54174 34174 31638 33676 59172 19809 21755 12356 15363 16456 18688 18120 8991 22389 23704 17149 22605 18387 20215 17066 13401 16709 18163 11588 17402 18151 26092 15200 17770 16374 22302 373337 327592 89258 156514 98276 139691 176580 56719 244214 139291 122704 134481 141669 176657 134336 99060 131297 112475 113603 119528 132249 230705 129695 94796 111485 131319 37761 35809 17295 17649 142398 137227 119779 92032 1,3,5-trimethylcyanuric acid 22793 30611 38027 29614 28252 31342 30620 29156 26989 27821 20601 33408 25888 29943 32640 25865 29144 29139 28772 23641 25195 33793 26748 27630 25564 30961 14480 26707 32857 33361 26239 35502 29036 29180 25415 32007 34839 19264 29161 91119 26262 27991 31639 28664 20271 26661 31694 28099 29458 23778 28547 27115 34007 24789 23499 30266 26697 28360 25581 1,2,4-benzenetriol 2112 2709 2251 3859 1717 3304 1084 3543 2806 1848 2559 2662 2406 4063 2399 10542 2164 3469 2399 4710 6172 3944 2459 6249 1532 1806 1534 1150 1062 847 763 913 881 1664 918 1567 1099 841 929 819 938 1180 978 1171 1622 918 1125 1004 912 924 1070 2561 955 1146 447 618 314 434 439 419 411 392 344 550 416 480 480 606 614 574 1001 440 555 513 585 436 366 407 1986 3296 1187 1009 720 710 480 319 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name retention index m/z PubChem Kegg xylulose NIST 553450 173 439205 C00312 xylose 544100 103 135191 C00181 xylonolactone 535176 217 439692 C02266 xylitol 567437 217 6912 C00379 xanthosine 926133 325 64959 C01762 xanthine 701688 353 1188 C00385 valine 309359 144 6287 C00183 uridine-5-monophosphate 977896 169 6030 C00105 uridine 861508 217 6029 C00299 uric acid 730691 441 1175 C00366 urea 326574 189 1176 C00086 uracil 385816 241 1174 C00106 UDP-glucuronic acid 587601 217 17473 C00167 UDP GlcNAc 627437 226 445675 C00043 tyrosine 671252 218 6057 C00082 tryptophan 780482 202 6305 C00078 trans-4-hydroxy-L-proline 459475 158 tocopherol alpha- 1067809 237 638015 C00376 thymine 420133 255 1135 C00178 thymidine 349402 170 5789 C00214 threonine 408777 218 6288 C00188 threonic acid 497572 292 5460407 C01620 threitol 467595 217 169019 C16884 taurine 556690 326 1123 C00245 tartaric acid 534291 292 444305 C00898 tagatose 636627 307 439312 C00795 sucrose 912704 271 5988 C00089 succinic acid 370737 247 1110 C00042 succinate semialdehyde 297024 113 1112 C00232 stearic acid 787622 117 5281 C01530 squalene 976237 95 638072 C00751 sorbitol 667922 217 5780 C00794 sophorose 965726 307 441432 C08250 shikimic acid 611100 204 8742 C00493 serotonin 863824 174 5202 C00780 serine 395020 218 5951 C00065 salicylic acid 480699 267 338 C00805 saccharic acid 699211 333 33037 C00818 ribulose-5-phosphate 735908 357 439184 C00199 ribose-5-phosphate 731837 315 439167 C00117 ribose 553135 217 5779 C00121 ribonic acid 597646 292 5460677 C01685 ribitol 575497 217 827 C00474 raffinose 1120886 361 439242 C00492 quinic acid 634900 345 6508 C00296 pyruvic acid 213805 174 1060 C00022 pyrophosphate 327517 110 1023 C00013 putrescine 588119 174 1045 C00138 p-tolyl glucuronide 847531 180 154035 pseudo uridine 813899 217 15047 C02067 propyleneglycol 177885 117 proline 364716 142 145742 C00148 pipecolinic acid 404121 156 6931662 pinitol 622466 260 164619 C03844 phosphogluconic acid 847013 299 91493 C00345 phosphoethanolamine 604335 299 1015 C00346 phosphoenolpyruvate 518184 211 58114173 C00074 phosphate 348274 314 1004 C00009 phenylethylamine 510327 174 1001 C05332 phenylalanine 537804 218 6140 C00079 pentobarbital NIST 605665 141 4737 C07422 pentitol 563801 307 827 D00061 pentadecanoic acid 674647 117 13849 C16537 pelargonic acid 399229 117 8158 C01601 parabanic acid NIST 464991 100 67126 C00802 pantothenic acid 690887 291 6613 C12276 palmitoleic acid 704511 311 445638 C08362 palmitic acid 713809 313 985 C00249 oxoproline 485935 156 7405 C01879 oxalic acid 260513 190 971 C00209 orotic acid 586317 254 967 C00295 ornithine 527113 142 6262 C00077 oleic acid 781527 339 445639 C00712 oleamide NIST 849710 144 5283387 C19670 octadecanol 755409 327 8221 noradrenaline 754841 174 439260 C00547 nicotinic acid 366992 180 938 C00253 nicotinamide 471602 179 936 C00153 N-acetylputrescine 595523 174 122356 C02714 N-acetylmannosamine 735323 319 439281 C00645 N-acetylgalactosamine 725570 202 440552 C05021 n-acetyl-d-hexosamine 746341 319 24139 C03878 N-acetylaspartic acid 548028 158 65065 C01042 myristic acid 634414 285 11005 C06424 myo-inositol 730022 305 892 C00137 methylhexose 616058 204 560150 methyl O-D-galactopyranoside 630836 204 94214 C03619 methionine sulfoxide 637588 128 158980 C02989 methionine 483560 176 6137 C00073 metharbital 574906 155 methanolphosphate 289520 241 13130 melezitose 1146704 361 92817 C08243 mannose-6-phosphate 822643 387 65127 C00275 mannose 645856 205 18950 C00159 maltotriose 1176044 361 439586 C01835 maltose 946601 204 439186 C00208 malic acid 463180 233 525 C00711 maleimide 245118 154 10935 C07272 maleic acid 363611 245 444266 C01384 lyxose 541086 217 439240 C00476 lyxitol 573587 217 439255 C00532 lysine 663483 156 5962 C00047 linolenic acid 780376 108 5280934 C06427 linoleic acid 777414 150 5280450 C01595 levoglucosan 569637 204 2724705 leucine 346101 158 6106 C00123 lauric acid 547906 117 3893 C02679 lactose 935640 191 440995 C00243 lactobionic acid 972139 204 7314 C04247 lactitol 959541 361 157355 C13542 lactic acid 217657 191 612 C01432 lactamide 265698 232 94220 isoxylonic acid 590775 189 10264 C02341 isothreonic acid 489385 292 151152 C00639 isomaltose 983199 160 439193 C00252 isoleucine 359251 158 6306 C00407 isohexonic acid 698302 333 604 isocitric acid 617338 245 5318532 C00451 inulotriose 1131821 361 22833608 C01355 inositol-4-monophosphate 845976 315 440043 C03546 inosine 5'-monophosphate 1016811 169 8582 C00130 inosine 897184 230 6021 C00294 indoxyl sulfate 577333 277 10258 indole-3-propionic acid 732249 202 3744 indole-3-lactate 764586 202 92904 C02043 indole-3-acetate 684929 202 802 C00954 hypoxanthine 619128 265 790 C00262 hydroxylamine 250536 146 787 C00192 hydroxycarbamate NIST 325948 278 16639161 hydrocinnamic acid 434422 104 107 C05629 histidine 663739 154 6274 C00135 hippuric acid 636836 206 464 C01586 hexuronic acid 673957 333 hexose-6-phosphate 806282 387 208 C02965 hexadecane 525964 85 11006 heptadecanoic acid 751309 117 10465 guanosine 954962 324 6802 C00387 glycyl tyrosine 922071 174 92829 glycolic acid 227215 177 757 C00160 glycocyamine 511016 171 763 C00581 glycine 368707 248 750 C00037 glycerol-alpha-phosphate 590747 357 754 C03189 glycerol-3-galactoside 800205 204 16048618 C05401 glycerol 344428 205 753 C00116 glyceric acid 377495 189 439194 C00258 glutathione 761296 213 124886 C00051 glutaric acid 421596 261 743 C00489 glutamine 600000 156 5961 C00064 glutamic acid 527086 246 33032 C00025 glucose-6-phosphate 820524 387 5958 C00092 glucose-1-phosphate 594647 217 65533 C00103 glucose 659798 319 64689 C00221 gluconic acid 693148 333 6857417 C00800 galacturonic acid 678231 333 441476 C08348 galactose-6-phosphate 828102 387 439404 C01113 galactose 648756 319 439357 C00984 galactonic acid 690882 292 128869 C00880 galactinol 1002731 204 11727586 C01235 fumaric acid 390016 245 444972 C00122 fucose 578299 160 439650 C02095 fructose-6-phosphate 804279 315 440641 C05345 fructose-1-phosphate 803180 387 439394 C01094 fructose 639442 307 439709 C02336 ethanolamine 344675 174 700 C00189 ethanol phosphate NIST 317291 211 74190 erythronic acid lactone 407495 247 5325915 C02341 erythritol 471922 217 222285 C00503 dodecanol 507619 243 8193 C02277 docosahexaenoic acid 902819 91 445580 C06429 dihydrocholesterol 1082070 215 66066 C12978 D-erythro-sphingosine 859500 204 5280335 C00319 dehydroascorbic acid 632888 173 440667 C05422 cytosin 486724 254 597 C00380 cytidine-5-monophosphate 700635 243 6131 C00055 cytidine 934269 223 cystine 804619 218 595 C01420 cysteine-glycine 715335 220 439498 C01419 cysteine 500158 220 5862 C00097 creatinine 502599 115 588 C00791 conduritol-beta-epoxide 675635 318 9989541 citrulline 621404 157 9750 C00327 citric acid 615341 273 311 C00158 cis-gondoic acid 851223 367 5282768 C16526 cholic acid 1109517 253 221493 C05463 cholesterol 1078536 129 5997 C00187 cellobiose 932179 204 6255 C01971 capric acid 452386 229 2969 C01571 butyrolactam NIST 277199 142 12025 bisphosphoglycerol 764660 299 102018 beta-sitosterol 1128225 129 222284 C01753 beta-glycerolphosphate 574470 243 2526 C02979 beta-gentiobiose 974676 204 441422 C08240 beta-alanine 435564 248 239 C00099 benzoic acid 338990 179 243 C00180 azelaic acid 610551 317 19347555 C08261 aspartic acid 480387 232 5960 C00049 asparagine 553078 188 6267 C00152 ascorbic acid 672898 332 54670067 C00072 arachidonic acid 834339 91 444899 C00219 arachidic acid 856421 117 10467 C06425 arabitol 570685 217 94154 C01904 aminomalonate 455754 218 100714 C00872 altrose 651039 157 alpha-ketoglutarate 507392 198 51 C00026 alpha-aminoadipic acid 573295 260 92136 C00956 allantoic acid 726050 259 203 C00499 alanine-alanine 522546 116 5484352 C00993 alanine 243971 116 5950 C00041 adipic acid 474435 111 196 C06104 adenosine-5-monophosphate 1038688 169 6083 C00020 adenosine 918039 236 60961 C00212 adenine 646534 264 190 C00147 aconitic acid 586815 229 643757 C00417 6(5h)-benzo[c]phenanthridinone, 11,12-dihydro- 676571 247 362864 5-methoxytryptamine 864466 174 1833 C05659 5'-deoxy-5'-methylthioadenosine 967036 236 439176 C00170 5-aminovaleric acid 536657 174 138 C00431 4-hydroxybutyric acid 325027 233 10413 C00989 4-hydroxybenzoate 537925 223 135 C00156 4-aminobutyric acid 488730 304 119 C00334 3-phosphoglycerate 610734 227 724 C00597 3-hydroxybutyric acid 278632 191 92135 C01089 3-aminoisobutyric acid 455267 248 64956 C05145 3,6-anhydro-D-galactose 588886 231 16069996 C06474 3,4-dihydroxycinnamic acid 748847 219 689043 C01197 3-(4-hydroxyphenyl)propionic acid 598147 179 10394 C01744 3-(3-hydroxyphenyl)propionic acid 583925 192 91 C11457 2-picolinic acid 383668 180 1018 C10164 2-monoolein 941794 129 5319879 2-ketoisocaproic acid 310761 89 70 C00233 2-hydroxyvaleric acid 309587 131 98009 2-hydroxyglutaric acid 506306 247 43 C02630 2-hydroxybutanoic acid 259536 131 440864 C05984 2-deoxytetronic acid 433456 189 150929 2-aminobutyric acid 286855 130 6657 C02721 2,5-dihydroxypyrazine NIST 397526 241 23368901 2,3-dihydroxybutanoic acid NIST 384796 292 250402 1-monostearin 959214 203 24699 D01947 1-monoolein 952623 129 5283468 1-kestose 1123027 361 440080 C03661 1,5-anhydroglucitol 633603 217 64960 C07326 1,3,5-trimethylcyanuric acid 416269 171 1,2,4-benzenetriol 521803 239 10787 C02814 METABOLITES_END #END