#METABOLOMICS WORKBENCH wsa224_20200615_000358_mwtab.txt DATATRACK_ID:2054 STUDY_ID:ST001400 ANALYSIS_ID:AN002341 PROJECT_ID:PR000960 VERSION 1 CREATED_ON June 18, 2020, 11:24 am #PROJECT PR:PROJECT_TITLE Identification of distinct metabolic perturbations and associated PR:PROJECT_TITLE immunomodulatory events during intra-erythrocytic development stage of pediatric PR:PROJECT_TITLE Plasmodium falciparum malaria PR:PROJECT_SUMMARY The goal of this study was to interrogate biochemical profiles manifested in PR:PROJECT_SUMMARY human serum samples originating from a cohort of West African children, PR:PROJECT_SUMMARY collected before and during P. falciparum malarial infection, with the aim of PR:PROJECT_SUMMARY characterizing metabolic perturbation associated with severity of malarial PR:PROJECT_SUMMARY infection. PR:INSTITUTE New York University Abu Dhabi PR:DEPARTMENT Biology Department PR:LABORATORY Idaghdour Laboratory PR:LAST_NAME Abdrabou PR:FIRST_NAME Wael PR:ADDRESS Saadiyat Island, P.O Box 129188, Abu Dhabi PR:EMAIL wsa224@nyu.edu PR:PHONE 0562729855 #STUDY ST:STUDY_TITLE Identification of distinct metabolic perturbations and associated ST:STUDY_TITLE immunomodulatory events during intra-erythrocytic development stage of pediatric ST:STUDY_TITLE Plasmodium falciparum malaria ST:STUDY_SUMMARY The goal of this study was to interrogate biochemical profiles manifested in ST:STUDY_SUMMARY human serum samples originating from a cohort of West African children, ST:STUDY_SUMMARY collected before and during P. falciparum malarial infection, with the aim of ST:STUDY_SUMMARY characterizing metabolic migration associated with severity of malarial ST:STUDY_SUMMARY infection. ST:INSTITUTE New York University Abu Dhabi ST:LAST_NAME Abdrabou ST:FIRST_NAME Wael ST:ADDRESS Saadiyat Island, P.O Box 129188, Abu Dhabi ST:EMAIL wsa224@nyu.edu ST:PHONE 0562729855 ST:NUM_GROUPS 2 ST:TOTAL_SUBJECTS 200 ST:NUM_MALES 109 ST:NUM_FEMALES 90 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:AGE_OR_AGE_RANGE 2-12 years SU:WEIGHT_OR_WEIGHT_RANGE 11-30 Kilograms SU:HEIGHT_OR_HEIGHT_RANGE 85 - 137 cm SU:GENDER Male and female SU:HUMAN_ETHNICITY Gouin (Burkina Faso, West Africa) SU:HUMAN_INCLUSION_CRITERIA residency in the Nafona- and Bounouna rural area in Burkina Faso, age of 2 to 12 SU:HUMAN_INCLUSION_CRITERIA years, no P. falciparum infection at the time of enrollment (as evidenced by SU:HUMAN_INCLUSION_CRITERIA malaria rapid diagnostic test and confirmed later with microscopy and qPCR), no SU:HUMAN_INCLUSION_CRITERIA fever (axillary temperature ≥37.5°C) or history of fever within the preceding SU:HUMAN_INCLUSION_CRITERIA 48 hours SU:HUMAN_EXCLUSION_CRITERIA history of immunosuppressive diseases or chronic diseases, signs of concomitant SU:HUMAN_EXCLUSION_CRITERIA febrile illness or active infection, use of anti-malarial treatment within the SU:HUMAN_EXCLUSION_CRITERIA preceding two weeks, use of immunosuppressant or other immune-modifying drugs SU:HUMAN_EXCLUSION_CRITERIA within the preceding six months and receiving blood transfusion within the SU:HUMAN_EXCLUSION_CRITERIA preceding three months #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 PAG001 PAG001_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=74; GENDER=Male; Parasitemia=149; Log2 Parasitemia=7.22; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.676864284; Monocytes (%)=8.850000381; White Blood Cell Count=6.610000134; RAW_FILE_NAME=PAG001_Inf.raw SUBJECT_SAMPLE_FACTORS PAG002 PAG002_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.970000267; Ratio Lymphocytes/Neutrophils (%)=3.41262; Monocytes (%)=4.789999962; White Blood Cell Count=5.83; RAW_FILE_NAME=PAG002_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG002 PAG002_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=66; GENDER=Female; Parasitemia=6695; Log2 Parasitemia=12.71; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=0.260572982; Monocytes (%)=6.789999962; White Blood Cell Count=8.079999924; RAW_FILE_NAME=PAG002_Inf.raw SUBJECT_SAMPLE_FACTORS PAG005 PAG005_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.432812512; Monocytes (%)=6; White Blood Cell Count=16.5; RAW_FILE_NAME=PAG005_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG005 PAG005_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=74; GENDER=Female; Parasitemia=14860; Log2 Parasitemia=13.86; Hemoglobin=12.5; Ratio Lymphocytes/Neutrophils (%)=0.27377521; Monocytes (%)=10.5; White Blood Cell Count=12; RAW_FILE_NAME=PAG005_Inf.raw SUBJECT_SAMPLE_FACTORS PAG006 PAG006_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=37; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=2.127819491; Monocytes (%)=8.210000038; White Blood Cell Count=7.4; RAW_FILE_NAME=PAG006_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG006 PAG006_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=38; GENDER=Male; Parasitemia=685; Log2 Parasitemia=9.42; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=0.277628049; Monocytes (%)=3.579999924; White Blood Cell Count=17.89999962; RAW_FILE_NAME=PAG006_Inf.raw SUBJECT_SAMPLE_FACTORS PAG007 PAG007_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=1; Ratio Lymphocytes/Neutrophils (%)=1; Monocytes (%)=-; White Blood Cell Count=1; RAW_FILE_NAME=PAG007_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG007 PAG007_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=88; GENDER=Female; Parasitemia=19071; Log2 Parasitemia=14.22; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=1.243176164; Monocytes (%)=5.599999905; White Blood Cell Count=3.400000095; RAW_FILE_NAME=PAG007_Inf.raw SUBJECT_SAMPLE_FACTORS PAG008 PAG008_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=1.699114999; Monocytes (%)=1.710000038; White Blood Cell Count=6.44; RAW_FILE_NAME=PAG008_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG008 PAG008_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=46992; Log2 Parasitemia=15.52; Hemoglobin=9.100000381; Ratio Lymphocytes/Neutrophils (%)=0.179197991; Monocytes (%)=4.599999905; White Blood Cell Count=4.900000095; RAW_FILE_NAME=PAG008_Inf.raw SUBJECT_SAMPLE_FACTORS PAG009 PAG009_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=1; Ratio Lymphocytes/Neutrophils (%)=1; Monocytes (%)=1; White Blood Cell Count=1; RAW_FILE_NAME=PAG009_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG010 PAG010_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=16.61930783; Monocytes (%)=1.812; White Blood Cell Count=12.2; RAW_FILE_NAME=PAG010_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG010 PAG010_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=131; Log2 Parasitemia=7.03; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.437392802; Monocytes (%)=13; White Blood Cell Count=7.900000095; RAW_FILE_NAME=PAG010_Inf.raw SUBJECT_SAMPLE_FACTORS PAG011 PAG011_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.19999981; Ratio Lymphocytes/Neutrophils (%)=0.919037199; Monocytes (%)=7.849999905; White Blood Cell Count=4.53; RAW_FILE_NAME=PAG011_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG011 PAG011_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=735; Log2 Parasitemia=9.52; Hemoglobin=9.399999619; Ratio Lymphocytes/Neutrophils (%)=0.514731376; Monocytes (%)=9.149999619; White Blood Cell Count=3.960000038; RAW_FILE_NAME=PAG011_Inf.raw SUBJECT_SAMPLE_FACTORS PAG014 PAG014_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=1.25; Monocytes (%)=7.110000134; White Blood Cell Count=9.46; RAW_FILE_NAME=PAG014_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG014 PAG014_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=55472; Log2 Parasitemia=15.76; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=0.145341613; Monocytes (%)=5.300000191; White Blood Cell Count=7; RAW_FILE_NAME=PAG014_Inf.raw SUBJECT_SAMPLE_FACTORS PAG015 PAG015_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=52; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.370786496; Monocytes (%)=8.100000381; White Blood Cell Count=7.69; RAW_FILE_NAME=PAG015_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG016 PAG016_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=89; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.80000019; Ratio Lymphocytes/Neutrophils (%)=1.306220059; Monocytes (%)=1.220000029; White Blood Cell Count=6.77; RAW_FILE_NAME=PAG016_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG016 PAG016_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=90; GENDER=Male; Parasitemia=117398; Log2 Parasitemia=16.84; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.32467531; Monocytes (%)=6.119999886; White Blood Cell Count=6.320000172; RAW_FILE_NAME=PAG016_Inf.raw SUBJECT_SAMPLE_FACTORS PAG018 PAG018_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=49; GENDER=Female; Parasitemia=2696; Log2 Parasitemia=11.4; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=0.749042105; Monocytes (%)=6.940000057; White Blood Cell Count=9.479999542; RAW_FILE_NAME=PAG018_Inf.raw SUBJECT_SAMPLE_FACTORS PAG019 PAG019_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=1.588279157; Monocytes (%)=1.264; White Blood Cell Count=5.77; RAW_FILE_NAME=PAG019_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG019 PAG019_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Male; Parasitemia=71381; Log2 Parasitemia=16.12; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=0.119474317; Monocytes (%)=5; White Blood Cell Count=9.300000191; RAW_FILE_NAME=PAG019_Inf.raw SUBJECT_SAMPLE_FACTORS PAG020 PAG020_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=85; GENDER=Female; Parasitemia=1500; Log2 Parasitemia=10.55; Hemoglobin=10.19999981; Ratio Lymphocytes/Neutrophils (%)=1.083526738; Monocytes (%)=8; White Blood Cell Count=10.10000038; RAW_FILE_NAME=PAG020_Inf.raw SUBJECT_SAMPLE_FACTORS PAG021 PAG021_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.063231886; Monocytes (%)=9.010000229; White Blood Cell Count=9.7; RAW_FILE_NAME=PAG021_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG021 PAG021_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Female; Parasitemia=19138; Log2 Parasitemia=14.22; Hemoglobin=8.550000191; Ratio Lymphocytes/Neutrophils (%)=0.671739122; Monocytes (%)=18.5; White Blood Cell Count=11.19999981; RAW_FILE_NAME=PAG021_Inf.raw SUBJECT_SAMPLE_FACTORS PAG024 PAG024_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=68; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.89999962; Ratio Lymphocytes/Neutrophils (%)=1.203619927; Monocytes (%)=1.99000001; White Blood Cell Count=6.05; RAW_FILE_NAME=PAG024_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG025 PAG025_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=77; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.428571429; Monocytes (%)=1.690000057; White Blood Cell Count=6.83; RAW_FILE_NAME=PAG025_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG028 PAG028_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=59; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.03084829; Monocytes (%)=8.079999924; White Blood Cell Count=6.49; RAW_FILE_NAME=PAG028_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG028 PAG028_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Male; Parasitemia=351515; Log2 Parasitemia=18.42; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.523966955; Monocytes (%)=4.119999886; White Blood Cell Count=3.839999914; RAW_FILE_NAME=PAG028_Inf.raw SUBJECT_SAMPLE_FACTORS PAG029 PAG029_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=2.006467026; Monocytes (%)=23.29; White Blood Cell Count=6.5; RAW_FILE_NAME=PAG029_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG029 PAG029_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=86; GENDER=Male; Parasitemia=52046; Log2 Parasitemia=15.67; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.17335057; Monocytes (%)=8; White Blood Cell Count=8.199999809; RAW_FILE_NAME=PAG029_Inf.raw SUBJECT_SAMPLE_FACTORS PAG030 PAG030_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=1.645962733; Monocytes (%)=11.30000019; White Blood Cell Count=7.32; RAW_FILE_NAME=PAG030_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG030 PAG030_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Female; Parasitemia=113672; Log2 Parasitemia=16.79; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=0.289732782; Monocytes (%)=5.550000191; White Blood Cell Count=18.79999924; RAW_FILE_NAME=PAG030_Inf.raw SUBJECT_SAMPLE_FACTORS PAG031 PAG031_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=0.333333344; Monocytes (%)=2.390000105; White Blood Cell Count=12.8; RAW_FILE_NAME=PAG031_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG031 PAG031_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Male; Parasitemia=84966; Log2 Parasitemia=16.37; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.315789475; Monocytes (%)=13.39999962; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG031_Inf.raw SUBJECT_SAMPLE_FACTORS PAG034 PAG034_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.899999619; Ratio Lymphocytes/Neutrophils (%)=1.821316566; Monocytes (%)=2.359999895; White Blood Cell Count=6.31; RAW_FILE_NAME=PAG034_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG034 PAG034_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=57; GENDER=Male; Parasitemia=1863; Log2 Parasitemia=10.86; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=1.165816323; Monocytes (%)=8.5; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG034_Inf.raw SUBJECT_SAMPLE_FACTORS PAG035 PAG035_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=44; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=8.880000114; Ratio Lymphocytes/Neutrophils (%)=0.770791075; Monocytes (%)=7.360000134; White Blood Cell Count=8.01; RAW_FILE_NAME=PAG035_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG035 PAG035_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=50; GENDER=Male; Parasitemia=56794; Log2 Parasitemia=15.79; Hemoglobin=9.199999809; Ratio Lymphocytes/Neutrophils (%)=0.184174617; Monocytes (%)=11.5; White Blood Cell Count=9.300000191; RAW_FILE_NAME=PAG035_Inf.raw SUBJECT_SAMPLE_FACTORS PAG036 PAG036_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=0.648550711; Monocytes (%)=1.570000052; White Blood Cell Count=9.97; RAW_FILE_NAME=PAG036_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG036 PAG036_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Male; Parasitemia=22275; Log2 Parasitemia=14.44; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.1073658; Monocytes (%)=9.300000191; White Blood Cell Count=8.5; RAW_FILE_NAME=PAG036_Inf.raw SUBJECT_SAMPLE_FACTORS PAG037 PAG037_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.811860956; Monocytes (%)=6.46999979; White Blood Cell Count=7.43; RAW_FILE_NAME=PAG037_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG037 PAG037_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Male; Parasitemia=201667; Log2 Parasitemia=17.62; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=0.120051076; Monocytes (%)=9.800000191; White Blood Cell Count=8.100000381; RAW_FILE_NAME=PAG037_Inf.raw SUBJECT_SAMPLE_FACTORS PAG038 PAG038_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=47; GENDER=Male; Parasitemia=176878; Log2 Parasitemia=17.43; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=0.174770045; Monocytes (%)=8.300000191; White Blood Cell Count=9.800000191; RAW_FILE_NAME=PAG038_Inf.raw SUBJECT_SAMPLE_FACTORS PAG039 PAG039_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=79; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=1.219047637; Monocytes (%)=4.059999943; White Blood Cell Count=6.27; RAW_FILE_NAME=PAG039_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG043 PAG043_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=36; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.5; Ratio Lymphocytes/Neutrophils (%)=1.167053347; Monocytes (%)=1.950000048; White Blood Cell Count=10; RAW_FILE_NAME=PAG043_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG044 PAG044_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=45; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=2.350746269; Monocytes (%)=5.820000172; White Blood Cell Count=9.29; RAW_FILE_NAME=PAG044_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG044 PAG044_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Female; Parasitemia=52774; Log2 Parasitemia=15.69; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=0.202531646; Monocytes (%)=3; White Blood Cell Count=11.19999981; RAW_FILE_NAME=PAG044_Inf.raw SUBJECT_SAMPLE_FACTORS PAG046 PAG046_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=54; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=0.705999985; Monocytes (%)=5.590000153; White Blood Cell Count=10.5; RAW_FILE_NAME=PAG046_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG049 PAG049_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=0.849898611; Monocytes (%)=6.800000191; White Blood Cell Count=7.47; RAW_FILE_NAME=PAG049_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG049 PAG049_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=86; GENDER=Male; Parasitemia=106910; Log2 Parasitemia=16.71; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.12864721; Monocytes (%)=12.89999962; White Blood Cell Count=13.30000019; RAW_FILE_NAME=PAG049_Inf.raw SUBJECT_SAMPLE_FACTORS PAG053 PAG053_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.685185138; Monocytes (%)=7.559999943; White Blood Cell Count=6.47; RAW_FILE_NAME=PAG053_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG053 PAG053_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=52; GENDER=Female; Parasitemia=53000; Log2 Parasitemia=15.69; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.279874209; Monocytes (%)=16.29999924; White Blood Cell Count=7.900000095; RAW_FILE_NAME=PAG053_Inf.raw SUBJECT_SAMPLE_FACTORS PAG054 PAG054_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=2.690376697; Monocytes (%)=8.289999962; White Blood Cell Count=4.55; RAW_FILE_NAME=PAG054_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG054 PAG054_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=55; GENDER=Female; Parasitemia=17497; Log2 Parasitemia=14.09; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.216216204; Monocytes (%)=11.69999981; White Blood Cell Count=5.900000095; RAW_FILE_NAME=PAG054_Inf.raw SUBJECT_SAMPLE_FACTORS PAG055 PAG055_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.130000114; Ratio Lymphocytes/Neutrophils (%)=0.957537123; Monocytes (%)=4.710000038; White Blood Cell Count=8.29; RAW_FILE_NAME=PAG055_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG055 PAG055_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Female; Parasitemia=194371; Log2 Parasitemia=17.57; Hemoglobin=9.5; Ratio Lymphocytes/Neutrophils (%)=0.615523421; Monocytes (%)=8.399999619; White Blood Cell Count=8.800000191; RAW_FILE_NAME=PAG055_Inf.raw SUBJECT_SAMPLE_FACTORS PAG056 PAG056_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.854545439; Monocytes (%)=4.159999847; White Blood Cell Count=8.73; RAW_FILE_NAME=PAG056_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG056 PAG056_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Male; Parasitemia=6234; Log2 Parasitemia=12.602356; Hemoglobin=9; Ratio Lymphocytes/Neutrophils (%)=0.197956577; Monocytes (%)=4.8; White Blood Cell Count=7.3; RAW_FILE_NAME=PAG056_Inf.raw SUBJECT_SAMPLE_FACTORS PAG057 PAG057_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.832618009; Monocytes (%)=9.449999809; White Blood Cell Count=8.45; RAW_FILE_NAME=PAG057_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG057 PAG057_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Male; Parasitemia=140; Log2 Parasitemia=7.13; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.727634175; Monocytes (%)=10.39999962; White Blood Cell Count=9.600000381; RAW_FILE_NAME=PAG057_Inf.raw SUBJECT_SAMPLE_FACTORS PAG058 PAG058_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=1.188916896; Monocytes (%)=9.829999924; White Blood Cell Count=4.48; RAW_FILE_NAME=PAG058_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG058 PAG058_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=120845; Log2 Parasitemia=16.88; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=0.161417332; Monocytes (%)=9.600000381; White Blood Cell Count=8.199999809; RAW_FILE_NAME=PAG058_Inf.raw SUBJECT_SAMPLE_FACTORS PAG060 PAG060_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.209638573; Monocytes (%)=5.760000229; White Blood Cell Count=13.3; RAW_FILE_NAME=PAG060_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG060 PAG060_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=59; GENDER=Female; Parasitemia=4765; Log2 Parasitemia=12.22; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.290132553; Monocytes (%)=10; White Blood Cell Count=11.89999962; RAW_FILE_NAME=PAG060_Inf.raw SUBJECT_SAMPLE_FACTORS PAG061 PAG061_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=69; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.193621903; Monocytes (%)=1.50999999; White Blood Cell Count=5.98; RAW_FILE_NAME=PAG061_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG061 PAG061_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=71; GENDER=Male; Parasitemia=61206; Log2 Parasitemia=15.9; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.701825538; Monocytes (%)=14.80000019; White Blood Cell Count=7; RAW_FILE_NAME=PAG061_Inf.raw SUBJECT_SAMPLE_FACTORS PAG062 PAG062_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=37; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=1.885245902; Monocytes (%)=4.260000229; White Blood Cell Count=7.82; RAW_FILE_NAME=PAG062_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG062 PAG062_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=39; GENDER=Male; Parasitemia=370; Log2 Parasitemia=8.531381461; Hemoglobin=10.7; Ratio Lymphocytes/Neutrophils (%)=6.828571429; Monocytes (%)=27; White Blood Cell Count=8; RAW_FILE_NAME=PAG062_Inf.raw SUBJECT_SAMPLE_FACTORS PAG063 PAG063_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=13; Ratio Lymphocytes/Neutrophils (%)=1.097852029; Monocytes (%)=5.199999809; White Blood Cell Count=5.01; RAW_FILE_NAME=PAG063_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG063 PAG063_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=75; GENDER=Female; Parasitemia=22690; Log2 Parasitemia=14.47; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=0.099273607; Monocytes (%)=7.800000191; White Blood Cell Count=9.300000191; RAW_FILE_NAME=PAG063_Inf.raw SUBJECT_SAMPLE_FACTORS PAG064 PAG064_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=76; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.30000019; Ratio Lymphocytes/Neutrophils (%)=0.973614816; Monocytes (%)=4.03000021; White Blood Cell Count=10.8; RAW_FILE_NAME=PAG064_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG064 PAG064_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Male; Parasitemia=110608; Log2 Parasitemia=16.76; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=0.268398262; Monocytes (%)=9.600000381; White Blood Cell Count=6.599999905; RAW_FILE_NAME=PAG064_Inf.raw SUBJECT_SAMPLE_FACTORS PAG069 PAG069_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=45; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=1.166259187; Monocytes (%)=7.849999905; White Blood Cell Count=6.17; RAW_FILE_NAME=PAG069_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG069 PAG069_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Male; Parasitemia=45660; Log2 Parasitemia=15.48; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.285470098; Monocytes (%)=23.10000038; White Blood Cell Count=10; RAW_FILE_NAME=PAG069_Inf.raw SUBJECT_SAMPLE_FACTORS PAG070 PAG070_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=75; GENDER=Female; Parasitemia=3849; Log2 Parasitemia=11.91; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=1.016316944; Monocytes (%)=9.899999619; White Blood Cell Count=4.400000095; RAW_FILE_NAME=PAG070_Inf.raw SUBJECT_SAMPLE_FACTORS PAG071 PAG071_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.732673267; Monocytes (%)=6.489999771; White Blood Cell Count=6.69; RAW_FILE_NAME=PAG071_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG071 PAG071_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=169277; Log2 Parasitemia=17.37; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=0.127906977; Monocytes (%)=1; White Blood Cell Count=6.400000095; RAW_FILE_NAME=PAG071_Inf.raw SUBJECT_SAMPLE_FACTORS PAG074 PAG074_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=1.199501209; Monocytes (%)=6.360000134; White Blood Cell Count=6.41; RAW_FILE_NAME=PAG074_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG074 PAG074_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=125478; Log2 Parasitemia=16.94; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=1.17241379; Monocytes (%)=14.30000019; White Blood Cell Count=5; RAW_FILE_NAME=PAG074_Inf.raw SUBJECT_SAMPLE_FACTORS PAG076 PAG076_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=1.042410731; Monocytes (%)=4.5; White Blood Cell Count=6.75; RAW_FILE_NAME=PAG076_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG076 PAG076_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Female; Parasitemia=24261; Log2 Parasitemia=14.5663514; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=0.664717329; Monocytes (%)=12.10000038; White Blood Cell Count=5.400000095; RAW_FILE_NAME=PAG076_Inf.raw SUBJECT_SAMPLE_FACTORS PAG077 PAG077_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=1.494186091; Monocytes (%)=8.210000038; White Blood Cell Count=6.86; RAW_FILE_NAME=PAG077_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG077 PAG077_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Male; Parasitemia=23063; Log2 Parasitemia=14.49; Hemoglobin=9.100000381; Ratio Lymphocytes/Neutrophils (%)=0.772727276; Monocytes (%)=15.89999962; White Blood Cell Count=7.099999905; RAW_FILE_NAME=PAG077_Inf.raw SUBJECT_SAMPLE_FACTORS PAG080 PAG080_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=0.774774775; Monocytes (%)=0.270000011; White Blood Cell Count=9.52; RAW_FILE_NAME=PAG080_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG080 PAG080_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=90; GENDER=Female; Parasitemia=27979; Log2 Parasitemia=14.77; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=0.172110554; Monocytes (%)=5.300000191; White Blood Cell Count=11.10000038; RAW_FILE_NAME=PAG080_Inf.raw SUBJECT_SAMPLE_FACTORS PAG081 PAG081_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=62; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=1.948387146; Monocytes (%)=4.739999771; White Blood Cell Count=7.49; RAW_FILE_NAME=PAG081_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG081 PAG081_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=11895; Log2 Parasitemia=13.54; Hemoglobin=9.800000191; Ratio Lymphocytes/Neutrophils (%)=1.0125284; Monocytes (%)=6.41; White Blood Cell Count=12.5; RAW_FILE_NAME=PAG081_Inf.raw SUBJECT_SAMPLE_FACTORS PAG082 PAG082_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=73; GENDER=Female; Parasitemia=1083; Log2 Parasitemia=10.08; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=1.789297682; Monocytes (%)=12.19999981; White Blood Cell Count=5.800000191; RAW_FILE_NAME=PAG082_Inf.raw SUBJECT_SAMPLE_FACTORS PAG083 PAG083_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=1.287179507; Monocytes (%)=5.599999905; White Blood Cell Count=5.04; RAW_FILE_NAME=PAG083_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG083 PAG083_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Female; Parasitemia=33696; Log2 Parasitemia=15.04; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.177261607; Monocytes (%)=2.700000048; White Blood Cell Count=13.60000038; RAW_FILE_NAME=PAG083_Inf.raw SUBJECT_SAMPLE_FACTORS PAG084 PAG084_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=77; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.930000305; Ratio Lymphocytes/Neutrophils (%)=1.485411141; Monocytes (%)=4.110000134; White Blood Cell Count=4.88; RAW_FILE_NAME=PAG084_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG084 PAG084_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Female; Parasitemia=90876; Log2 Parasitemia=16.47; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=0.106117355; Monocytes (%)=9.899999619; White Blood Cell Count=16.89999962; RAW_FILE_NAME=PAG084_Inf.raw SUBJECT_SAMPLE_FACTORS PAG085 PAG085_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=58; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=-; Ratio Lymphocytes/Neutrophils (%)=-; Monocytes (%)=-; White Blood Cell Count=-; RAW_FILE_NAME=PAG085_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG085 PAG085_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Male; Parasitemia=912; Log2 Parasitemia=9.83; Hemoglobin=9.5; Ratio Lymphocytes/Neutrophils (%)=0.409733125; Monocytes (%)=8.899999619; White Blood Cell Count=7.800000191; RAW_FILE_NAME=PAG085_Inf.raw SUBJECT_SAMPLE_FACTORS PAG086 PAG086_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.378590058; Monocytes (%)=5.159999847; White Blood Cell Count=5.13; RAW_FILE_NAME=PAG086_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG086 PAG086_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=85; GENDER=Female; Parasitemia=43652; Log2 Parasitemia=15.41; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=0.143727167; Monocytes (%)=5.090000153; White Blood Cell Count=23.89999962; RAW_FILE_NAME=PAG086_Inf.raw SUBJECT_SAMPLE_FACTORS PAG088 PAG088_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=1.180487842; Monocytes (%)=7.329999924; White Blood Cell Count=4; RAW_FILE_NAME=PAG088_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG088 PAG088_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Male; Parasitemia=26747; Log2 Parasitemia=14.71; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.333839142; Monocytes (%)=10.89999962; White Blood Cell Count=4; RAW_FILE_NAME=PAG088_Inf.raw SUBJECT_SAMPLE_FACTORS PAG093 PAG093_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=43; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.30000019; Ratio Lymphocytes/Neutrophils (%)=0.880478103; Monocytes (%)=3.400000095; White Blood Cell Count=11.4; RAW_FILE_NAME=PAG093_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG096 PAG096_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=76; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=1.263297872; Monocytes (%)=10.30000019; White Blood Cell Count=6.67; RAW_FILE_NAME=PAG096_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG096 PAG096_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Male; Parasitemia=108380; Log2 Parasitemia=16.73; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.257142869; Monocytes (%)=19.79999924; White Blood Cell Count=5.400000095; RAW_FILE_NAME=PAG096_Inf.raw SUBJECT_SAMPLE_FACTORS PAG099 PAG099_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=78; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=1.337142835; Monocytes (%)=8.890000343; White Blood Cell Count=5.47; RAW_FILE_NAME=PAG099_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG099 PAG099_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=79; GENDER=Female; Parasitemia=9263; Log2 Parasitemia=13.18; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=0.184110969; Monocytes (%)=3.480000019; White Blood Cell Count=15.19999981; RAW_FILE_NAME=PAG099_Inf.raw SUBJECT_SAMPLE_FACTORS PAG100 PAG100_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=53; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=13; Ratio Lymphocytes/Neutrophils (%)=0.64444443; Monocytes (%)=6.389999866; White Blood Cell Count=8.88; RAW_FILE_NAME=PAG100_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG100 PAG100_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=54; GENDER=Female; Parasitemia=5085; Log2 Parasitemia=12.31; Hemoglobin=8.600000381; Ratio Lymphocytes/Neutrophils (%)=0.777546834; Monocytes (%)=13.19999981; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG100_Inf.raw SUBJECT_SAMPLE_FACTORS PAG101 PAG101_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=0.435215959; Monocytes (%)=9.550000191; White Blood Cell Count=10.6; RAW_FILE_NAME=PAG101_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG101 PAG101_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=97; GENDER=Male; Parasitemia=19649; Log2 Parasitemia=14.26; Hemoglobin=8.81000042; Ratio Lymphocytes/Neutrophils (%)=0.932017575; Monocytes (%)=4.670000076; White Blood Cell Count=6.179999828; RAW_FILE_NAME=PAG101_Inf.raw SUBJECT_SAMPLE_FACTORS PAG102 PAG102_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.60000038; Ratio Lymphocytes/Neutrophils (%)=1.566929154; Monocytes (%)=0.699000001; White Blood Cell Count=7.06; RAW_FILE_NAME=PAG102_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG102 PAG102_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Male; Parasitemia=244; Log2 Parasitemia=7.93; Hemoglobin=9.5; Ratio Lymphocytes/Neutrophils (%)=0.969976922; Monocytes (%)=13; White Blood Cell Count=6.300000191; RAW_FILE_NAME=PAG102_Inf.raw SUBJECT_SAMPLE_FACTORS PAG107 PAG107_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=62; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.762962977; Monocytes (%)=2.039999962; White Blood Cell Count=6.56; RAW_FILE_NAME=PAG107_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG107 PAG107_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=501; Log2 Parasitemia=8.97; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=0.160621763; Monocytes (%)=9; White Blood Cell Count=7.800000191; RAW_FILE_NAME=PAG107_Inf.raw SUBJECT_SAMPLE_FACTORS PAG110 PAG110_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=47; GENDER=Female; Parasitemia=2440; Log2 Parasitemia=11.25; Hemoglobin=9; Ratio Lymphocytes/Neutrophils (%)=1.321621663; Monocytes (%)=12.89999962; White Blood Cell Count=5.599999905; RAW_FILE_NAME=PAG110_Inf.raw SUBJECT_SAMPLE_FACTORS PAG111 PAG111_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=48; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=1.59025788; Monocytes (%)=4.489999771; White Blood Cell Count=9.27; RAW_FILE_NAME=PAG111_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG111 PAG111_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Male; Parasitemia=96000; Log2 Parasitemia=16.55; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.294656477; Monocytes (%)=12.5; White Blood Cell Count=19.60000038; RAW_FILE_NAME=PAG111_Inf.raw SUBJECT_SAMPLE_FACTORS PAG112 PAG112_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.216358799; Monocytes (%)=6.71999979; White Blood Cell Count=8.1; RAW_FILE_NAME=PAG112_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG112 PAG112_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=69; GENDER=Male; Parasitemia=1284; Log2 Parasitemia=10.33; Hemoglobin=8.899999619; Ratio Lymphocytes/Neutrophils (%)=2.003816736; Monocytes (%)=17.60000038; White Blood Cell Count=8.300000191; RAW_FILE_NAME=PAG112_Inf.raw SUBJECT_SAMPLE_FACTORS PAG115 PAG115_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.720000267; Ratio Lymphocytes/Neutrophils (%)=2.455938639; Monocytes (%)=1; White Blood Cell Count=5.92; RAW_FILE_NAME=PAG115_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG115 PAG115_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=39676; Log2 Parasitemia=15.28; Hemoglobin=9.779999733; Ratio Lymphocytes/Neutrophils (%)=0.274666672; Monocytes (%)=2.230000019; White Blood Cell Count=11.80000019; RAW_FILE_NAME=PAG115_Inf.raw SUBJECT_SAMPLE_FACTORS PAG116 PAG116_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=121; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=1.951515198; Monocytes (%)=1.039999962; White Blood Cell Count=6.55; RAW_FILE_NAME=PAG116_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG116 PAG116_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=122; GENDER=Male; Parasitemia=1158; Log2 Parasitemia=10.18; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=0.590493579; Monocytes (%)=11.5; White Blood Cell Count=6.699999809; RAW_FILE_NAME=PAG116_Inf.raw SUBJECT_SAMPLE_FACTORS PAG117 PAG117_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=95; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=1.200000036; Monocytes (%)=1.559999943; White Blood Cell Count=6.06; RAW_FILE_NAME=PAG117_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG117 PAG117_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=99; GENDER=Male; Parasitemia=19748; Log2 Parasitemia=14.27; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=0.460547521; Monocytes (%)=5.900000095; White Blood Cell Count=5.099999905; RAW_FILE_NAME=PAG117_Inf.raw SUBJECT_SAMPLE_FACTORS PAG118 PAG118_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=121; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=1.755485893; Monocytes (%)=5.130000114; White Blood Cell Count=4.95; RAW_FILE_NAME=PAG118_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG118 PAG118_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=122; GENDER=Male; Parasitemia=53084; Log2 Parasitemia=15.7; Hemoglobin=13.10000038; Ratio Lymphocytes/Neutrophils (%)=0.466141738; Monocytes (%)=5.199999809; White Blood Cell Count=4.599999905; RAW_FILE_NAME=PAG118_Inf.raw SUBJECT_SAMPLE_FACTORS PAG120 PAG120_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=106; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=1.402531684; Monocytes (%)=0.165999994; White Blood Cell Count=7.27; RAW_FILE_NAME=PAG120_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG120 PAG120_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=108; GENDER=Male; Parasitemia=493; Log2 Parasitemia=8.95; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=0.557620826; Monocytes (%)=13.80000019; White Blood Cell Count=8.600000381; RAW_FILE_NAME=PAG120_Inf.raw SUBJECT_SAMPLE_FACTORS PAG121 PAG121_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=54; GENDER=Female; Parasitemia=5381; Log2 Parasitemia=12.39; Hemoglobin=8.5; Ratio Lymphocytes/Neutrophils (%)=2.111969172; Monocytes (%)=14.10000038; White Blood Cell Count=8.300000191; RAW_FILE_NAME=PAG121_Inf.raw SUBJECT_SAMPLE_FACTORS PAG122 PAG122_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.266128991; Monocytes (%)=2.410000086; White Blood Cell Count=7.13; RAW_FILE_NAME=PAG122_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG122 PAG122_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=66; GENDER=Male; Parasitemia=21037; Log2 Parasitemia=14.36; Hemoglobin=9.300000191; Ratio Lymphocytes/Neutrophils (%)=2.96590907; Monocytes (%)=19.70000076; White Blood Cell Count=3.799999952; RAW_FILE_NAME=PAG122_Inf.raw SUBJECT_SAMPLE_FACTORS PAG123 PAG123_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=95; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=2.223529442; Monocytes (%)=7.710000038; White Blood Cell Count=5.38; RAW_FILE_NAME=PAG123_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG123 PAG123_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=97; GENDER=Female; Parasitemia=21601; Log2 Parasitemia=14.4; Hemoglobin=9.699999809; Ratio Lymphocytes/Neutrophils (%)=0.446666654; Monocytes (%)=11.69999981; White Blood Cell Count=6.199999809; RAW_FILE_NAME=PAG123_Inf.raw SUBJECT_SAMPLE_FACTORS PAG124 PAG124_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=41; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=1.658362935; Monocytes (%)=9.640000343; White Blood Cell Count=9.96; RAW_FILE_NAME=PAG124_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG124 PAG124_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Female; Parasitemia=2273; Log2 Parasitemia=11.15; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=0.246826511; Monocytes (%)=8.859999657; White Blood Cell Count=10.80000019; RAW_FILE_NAME=PAG124_Inf.raw SUBJECT_SAMPLE_FACTORS PAG126 PAG126_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=2.326848219; Monocytes (%)=4.78000021; White Blood Cell Count=4.43; RAW_FILE_NAME=PAG126_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG126 PAG126_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=66; GENDER=Male; Parasitemia=691; Log2 Parasitemia=9.43; Hemoglobin=11.5; Ratio Lymphocytes/Neutrophils (%)=1.612499952; Monocytes (%)=7.300000191; White Blood Cell Count=6.260000229; RAW_FILE_NAME=PAG126_Inf.raw SUBJECT_SAMPLE_FACTORS PAG127 PAG127_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=96; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=0.785440613; Monocytes (%)=2.74000001; White Blood Cell Count=7.65; RAW_FILE_NAME=PAG127_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG131 PAG131_NonInf INFECTION:Non-infected Matched (Yes/No)=No; Age (Months)=55; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.942148729; Monocytes (%)=0.203999996; White Blood Cell Count=6.46; RAW_FILE_NAME=PAG131_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG136 PAG136_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=48; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=2.532258034; Monocytes (%)=9.319999695; White Blood Cell Count=6.55; RAW_FILE_NAME=PAG136_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG136 PAG136_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Female; Parasitemia=48044; Log2 Parasitemia=15.55; Hemoglobin=9.100000381; Ratio Lymphocytes/Neutrophils (%)=1.157360322; Monocytes (%)=13.39999962; White Blood Cell Count=6; RAW_FILE_NAME=PAG136_Inf.raw SUBJECT_SAMPLE_FACTORS PAG137 PAG137_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=62; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.393483671; Monocytes (%)=1.830000043; White Blood Cell Count=5.82; RAW_FILE_NAME=PAG137_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG137 PAG137_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Male; Parasitemia=46334; Log2 Parasitemia=15.5; Hemoglobin=11; Ratio Lymphocytes/Neutrophils (%)=0.295839758; Monocytes (%)=12.5; White Blood Cell Count=10.89999962; RAW_FILE_NAME=PAG137_Inf.raw SUBJECT_SAMPLE_FACTORS PAG139 PAG139_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=42; GENDER=Male; Parasitemia=535; Log2 Parasitemia=9.06; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=1.32044194; Monocytes (%)=11.80000019; White Blood Cell Count=5.199999809; RAW_FILE_NAME=PAG139_Inf.raw SUBJECT_SAMPLE_FACTORS PAG143 PAG143_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=40; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.871794856; Monocytes (%)=8.609999657; White Blood Cell Count=9.99; RAW_FILE_NAME=PAG143_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG143 PAG143_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=42; GENDER=Male; Parasitemia=46868; Log2 Parasitemia=15.52; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.486437613; Monocytes (%)=15.69999981; White Blood Cell Count=6.099999905; RAW_FILE_NAME=PAG143_Inf.raw SUBJECT_SAMPLE_FACTORS PAG144 PAG144_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.39999962; Ratio Lymphocytes/Neutrophils (%)=1.380102002; Monocytes (%)=5.03000021; White Blood Cell Count=5.97; RAW_FILE_NAME=PAG144_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG144 PAG144_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=85; GENDER=Female; Parasitemia=79954; Log2 Parasitemia=16.29; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=0.227941176; Monocytes (%)=14.80000019; White Blood Cell Count=8.300000191; RAW_FILE_NAME=PAG144_Inf.raw SUBJECT_SAMPLE_FACTORS PAG145 PAG145_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=48; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.815573755; Monocytes (%)=8.880000114; White Blood Cell Count=3.53; RAW_FILE_NAME=PAG145_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG145 PAG145_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=50; GENDER=Male; Parasitemia=91530; Log2 Parasitemia=16.48; Hemoglobin=9.300000191; Ratio Lymphocytes/Neutrophils (%)=0.366085593; Monocytes (%)=12; White Blood Cell Count=4.300000191; RAW_FILE_NAME=PAG145_Inf.raw SUBJECT_SAMPLE_FACTORS PAG146 PAG146_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=56; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=2.154109641; Monocytes (%)=5.420000076; White Blood Cell Count=5.82; RAW_FILE_NAME=PAG146_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG146 PAG146_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=57; GENDER=Male; Parasitemia=124736; Log2 Parasitemia=16.93; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=0.795744713; Monocytes (%)=14.39999962; White Blood Cell Count=5.099999905; RAW_FILE_NAME=PAG146_Inf.raw SUBJECT_SAMPLE_FACTORS PAG147 PAG147_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=47; GENDER=Male; Parasitemia=5703; Log2 Parasitemia=12.48; Hemoglobin=8.300000191; Ratio Lymphocytes/Neutrophils (%)=2.058020505; Monocytes (%)=8.199999809; White Blood Cell Count=5.5; RAW_FILE_NAME=PAG147_Inf.raw SUBJECT_SAMPLE_FACTORS PAG148 PAG148_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=93; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.984625032; Monocytes (%)=5.166; White Blood Cell Count=6.27; RAW_FILE_NAME=PAG148_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG148 PAG148_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=94; GENDER=Female; Parasitemia=5089; Log2 Parasitemia=12.31; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.162548761; Monocytes (%)=9.600000381; White Blood Cell Count=9.699999809; RAW_FILE_NAME=PAG148_Inf.raw SUBJECT_SAMPLE_FACTORS PAG150 PAG150_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=38; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.89999962; Ratio Lymphocytes/Neutrophils (%)=0.840000032; Monocytes (%)=2.890000105; White Blood Cell Count=7.65; RAW_FILE_NAME=PAG150_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG150 PAG150_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=38; GENDER=Male; Parasitemia=10508; Log2 Parasitemia=13.36; Hemoglobin=12.60000038; Ratio Lymphocytes/Neutrophils (%)=0.573192232; Monocytes (%)=8.210000038; White Blood Cell Count=57.79999924; RAW_FILE_NAME=PAG150_Inf.raw SUBJECT_SAMPLE_FACTORS PAG151 PAG151_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=51; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.89999962; Ratio Lymphocytes/Neutrophils (%)=0.96989244; Monocytes (%)=5.579999924; White Blood Cell Count=5.11; RAW_FILE_NAME=PAG151_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG151 PAG151_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=55; GENDER=Female; Parasitemia=791; Log2 Parasitemia=9.63; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.131752303; Monocytes (%)=11.60000038; White Blood Cell Count=9.600000381; RAW_FILE_NAME=PAG151_Inf.raw SUBJECT_SAMPLE_FACTORS PAG153 PAG153_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.5; Ratio Lymphocytes/Neutrophils (%)=0.743589716; Monocytes (%)=3.480000019; White Blood Cell Count=6.53; RAW_FILE_NAME=PAG153_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG153 PAG153_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=98; GENDER=Male; Parasitemia=8277; Log2 Parasitemia=13.01; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=0.204819288; Monocytes (%)=8.800000191; White Blood Cell Count=5.900000095; RAW_FILE_NAME=PAG153_Inf.raw SUBJECT_SAMPLE_FACTORS PAG155 PAG155_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=55; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=9.869999886; Ratio Lymphocytes/Neutrophils (%)=1.024663694; Monocytes (%)=5.46999979; White Blood Cell Count=5.29; RAW_FILE_NAME=PAG155_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG155 PAG155_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=58; GENDER=Male; Parasitemia=7500; Log2 Parasitemia=12.87; Hemoglobin=9.300000191; Ratio Lymphocytes/Neutrophils (%)=1.079710123; Monocytes (%)=10.30000019; White Blood Cell Count=3.200000048; RAW_FILE_NAME=PAG155_Inf.raw SUBJECT_SAMPLE_FACTORS PAG156 PAG156_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=89; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.346456673; Monocytes (%)=7.539999962; White Blood Cell Count=4.44; RAW_FILE_NAME=PAG156_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG156 PAG156_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=90; GENDER=Female; Parasitemia=966; Log2 Parasitemia=9.92; Hemoglobin=10.19999981; Ratio Lymphocytes/Neutrophils (%)=1.797833858; Monocytes (%)=18.29999924; White Blood Cell Count=4.099999905; RAW_FILE_NAME=PAG156_Inf.raw SUBJECT_SAMPLE_FACTORS PAG157 PAG157_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.19999981; Ratio Lymphocytes/Neutrophils (%)=1.740506329; Monocytes (%)=10.69999981; White Blood Cell Count=4.62; RAW_FILE_NAME=PAG157_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG157 PAG157_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=98; GENDER=Female; Parasitemia=35225; Log2 Parasitemia=15.1; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=3.021587426; Monocytes (%)=31.625; White Blood Cell Count=9.899999619; RAW_FILE_NAME=PAG157_Inf.raw SUBJECT_SAMPLE_FACTORS PAG158 PAG158_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=60; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.39999962; Ratio Lymphocytes/Neutrophils (%)=30.61891516; Monocytes (%)=0.57; White Blood Cell Count=5.37; RAW_FILE_NAME=PAG158_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG158 PAG158_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=64; GENDER=Male; Parasitemia=176905; Log2 Parasitemia=17.43; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.391975284; Monocytes (%)=7.800000191; White Blood Cell Count=4.599999905; RAW_FILE_NAME=PAG158_Inf.raw SUBJECT_SAMPLE_FACTORS PAG159 PAG159_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=44; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.30000019; Ratio Lymphocytes/Neutrophils (%)=1.252955083; Monocytes (%)=1.120000005; White Blood Cell Count=7.33; RAW_FILE_NAME=PAG159_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG159 PAG159_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=49; GENDER=Female; Parasitemia=57613; Log2 Parasitemia=15.81; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=0.572156195; Monocytes (%)=5.599999905; White Blood Cell Count=7.199999809; RAW_FILE_NAME=PAG159_Inf.raw SUBJECT_SAMPLE_FACTORS PAG161 PAG161_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=43; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=13.30000019; Ratio Lymphocytes/Neutrophils (%)=1.086419753; Monocytes (%)=9.779999733; White Blood Cell Count=9.1; RAW_FILE_NAME=PAG161_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG161 PAG161_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=45; GENDER=Male; Parasitemia=10878; Log2 Parasitemia=13.41; Hemoglobin=9.600000381; Ratio Lymphocytes/Neutrophils (%)=2.511767035; Monocytes (%)=7.33; White Blood Cell Count=6; RAW_FILE_NAME=PAG161_Inf.raw SUBJECT_SAMPLE_FACTORS PAG162 PAG162_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.89999962; Ratio Lymphocytes/Neutrophils (%)=1.352644855; Monocytes (%)=1.299999952; White Blood Cell Count=6.79; RAW_FILE_NAME=PAG162_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG162 PAG162_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=96; GENDER=Female; Parasitemia=82245; Log2 Parasitemia=16.33; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.531879221; Monocytes (%)=8.109999657; White Blood Cell Count=10.10000038; RAW_FILE_NAME=PAG162_Inf.raw SUBJECT_SAMPLE_FACTORS PAG163 PAG163_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=123; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.115902029; Monocytes (%)=14.6; White Blood Cell Count=5.1; RAW_FILE_NAME=PAG163_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG163 PAG163_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=127; GENDER=Female; Parasitemia=70154; Log2 Parasitemia=16.1; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=0.523648642; Monocytes (%)=8.399999619; White Blood Cell Count=5.400000095; RAW_FILE_NAME=PAG163_Inf.raw SUBJECT_SAMPLE_FACTORS PAG165 PAG165_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=84; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=0.964044978; Monocytes (%)=6.920000076; White Blood Cell Count=6.56; RAW_FILE_NAME=PAG165_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG165 PAG165_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=88; GENDER=Female; Parasitemia=703; Log2 Parasitemia=9.46; Hemoglobin=10.5; Ratio Lymphocytes/Neutrophils (%)=0.64444443; Monocytes (%)=5.5; White Blood Cell Count=7.199999809; RAW_FILE_NAME=PAG165_Inf.raw SUBJECT_SAMPLE_FACTORS PAG166 PAG166_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=101; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=-; Ratio Lymphocytes/Neutrophils (%)=-; Monocytes (%)=-; White Blood Cell Count=-; RAW_FILE_NAME=PAG166_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG166 PAG166_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=105; GENDER=Male; Parasitemia=157084; Log2 Parasitemia=17.26; Hemoglobin=11.69999981; Ratio Lymphocytes/Neutrophils (%)=0.0823389; Monocytes (%)=7; White Blood Cell Count=14.69999981; RAW_FILE_NAME=PAG166_Inf.raw SUBJECT_SAMPLE_FACTORS PAG167 PAG167_Inf INFECTION:Infected Matched (Yes/No)=No; Age (Months)=113; GENDER=Male; Parasitemia=126; Log2 Parasitemia=6.98; Hemoglobin=11.80000019; Ratio Lymphocytes/Neutrophils (%)=1.193384286; Monocytes (%)=5.900000095; White Blood Cell Count=6.400000095; RAW_FILE_NAME=PAG167_Inf.raw SUBJECT_SAMPLE_FACTORS PAG170 PAG170_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=72; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.541946296; Monocytes (%)=6.789999962; White Blood Cell Count=8.32; RAW_FILE_NAME=PAG170_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG170 PAG170_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=73; GENDER=Female; Parasitemia=28658; Log2 Parasitemia=14.81; Hemoglobin=10.80000019; Ratio Lymphocytes/Neutrophils (%)=0.278514583; Monocytes (%)=2.75; White Blood Cell Count=13.10000038; RAW_FILE_NAME=PAG170_Inf.raw SUBJECT_SAMPLE_FACTORS PAG171 PAG171_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=65; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.39999962; Ratio Lymphocytes/Neutrophils (%)=1.101485149; Monocytes (%)=13.19999981; White Blood Cell Count=6.43; RAW_FILE_NAME=PAG171_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG171 PAG171_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=68; GENDER=Female; Parasitemia=34080; Log2 Parasitemia=15.06; Hemoglobin=8.800000191; Ratio Lymphocytes/Neutrophils (%)=0.234513258; Monocytes (%)=14.19999981; White Blood Cell Count=10.19999981; RAW_FILE_NAME=PAG171_Inf.raw SUBJECT_SAMPLE_FACTORS PAG172 PAG172_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.60000038; Ratio Lymphocytes/Neutrophils (%)=2.303703732; Monocytes (%)=2.309999943; White Blood Cell Count=6.15; RAW_FILE_NAME=PAG172_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG172 PAG172_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=84900; Log2 Parasitemia=16.37; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=0.261772859; Monocytes (%)=7.5; White Blood Cell Count=7.099999905; RAW_FILE_NAME=PAG172_Inf.raw SUBJECT_SAMPLE_FACTORS PAG173 PAG173_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=46; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=10.69999981; Ratio Lymphocytes/Neutrophils (%)=0.796190462; Monocytes (%)=2.960000038; White Blood Cell Count=6.1; RAW_FILE_NAME=PAG173_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG173 PAG173_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=47; GENDER=Male; Parasitemia=36; Log2 Parasitemia=5.17; Hemoglobin=10; Ratio Lymphocytes/Neutrophils (%)=0.700381673; Monocytes (%)=8.699999809; White Blood Cell Count=5.099999905; RAW_FILE_NAME=PAG173_Inf.raw SUBJECT_SAMPLE_FACTORS PAG174 PAG174_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.10000038; Ratio Lymphocytes/Neutrophils (%)=1.347619011; Monocytes (%)=0.187999994; White Blood Cell Count=8.34; RAW_FILE_NAME=PAG174_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG174 PAG174_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=63; GENDER=Female; Parasitemia=7090; Log2 Parasitemia=12.79; Hemoglobin=11.30000019; Ratio Lymphocytes/Neutrophils (%)=0.473154387; Monocytes (%)=11; White Blood Cell Count=8; RAW_FILE_NAME=PAG174_Inf.raw SUBJECT_SAMPLE_FACTORS PAG175 PAG175_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=30; GENDER=Female; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=1.432291667; Monocytes (%)=5.440000057; White Blood Cell Count=7.09; RAW_FILE_NAME=PAG175_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG175 PAG175_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=34; GENDER=Female; Parasitemia=58737; Log2 Parasitemia=15.84; Hemoglobin=12.10000038; Ratio Lymphocytes/Neutrophils (%)=0.228613559; Monocytes (%)=13.5; White Blood Cell Count=12.60000038; RAW_FILE_NAME=PAG175_Inf.raw SUBJECT_SAMPLE_FACTORS PAG176 PAG176_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=12; Ratio Lymphocytes/Neutrophils (%)=1.261904807; Monocytes (%)=9.180000305; White Blood Cell Count=8.41; RAW_FILE_NAME=PAG176_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG176 PAG176_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=67; GENDER=Male; Parasitemia=2387; Log2 Parasitemia=11.22; Hemoglobin=12.30000019; Ratio Lymphocytes/Neutrophils (%)=0.927135735; Monocytes (%)=8.979999542; White Blood Cell Count=9.619999886; RAW_FILE_NAME=PAG176_Inf.raw SUBJECT_SAMPLE_FACTORS PAG178 PAG178_NonInf INFECTION:Non-infected Matched (Yes/No)=Yes; Age (Months)=82; GENDER=Male; Parasitemia=-; Log2 Parasitemia=-; Hemoglobin=11.19999981; Ratio Lymphocytes/Neutrophils (%)=0.694055957; Monocytes (%)=1.649999976; White Blood Cell Count=9.54; RAW_FILE_NAME=PAG178_NonInf.raw SUBJECT_SAMPLE_FACTORS PAG178 PAG178_Inf INFECTION:Infected Matched (Yes/No)=Yes; Age (Months)=83; GENDER=Male; Parasitemia=5185; Log2 Parasitemia=12.34; Hemoglobin=10.10000038; Ratio Lymphocytes/Neutrophils (%)=0.375874121; Monocytes (%)=19.70000076; White Blood Cell Count=9.100000381; RAW_FILE_NAME=PAG178_Inf.raw #COLLECTION CO:COLLECTION_SUMMARY Peripheral blood samples were collected in Serum Separator Tubes (SST). Serum CO:COLLECTION_SUMMARY samples were isolated on site in Burkina Faso by centrifuging blood samples in CO:COLLECTION_SUMMARY SST tubes for 30 minutes at 1500 RCF. Separated serum aliquots of 0.5 ml were CO:COLLECTION_SUMMARY transferred to cryovials and stored at -80°C. CO:SAMPLE_TYPE Blood (serum) CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_VIALS Serum Separator Tubes (SST) CO:STORAGE_VIALS cryovials #TREATMENT TR:TREATMENT_SUMMARY No treatment was done to any of the samples prior to profiling #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Samples were prepared using the automated MicroLab STAR® system from Hamilton SP:SAMPLEPREP_SUMMARY Company. Several recovery standards were added prior to the first step in the SP:SAMPLEPREP_SUMMARY extraction process for QC purposes. To remove protein, dissociate small SP:SAMPLEPREP_SUMMARY molecules bound to protein or trapped in the precipitated protein matrix, and to SP:SAMPLEPREP_SUMMARY recover chemically diverse metabolites, proteins were precipitated with methanol SP:SAMPLEPREP_SUMMARY under vigorous shaking for 2 min (Glen Mills GenoGrinder 2000) followed by SP:SAMPLEPREP_SUMMARY centrifugation. The resulting extract was divided into five fractions: two for SP:SAMPLEPREP_SUMMARY analysis by two separate reverse phase (RP)/UPLC-MS/MS methods with positive ion SP:SAMPLEPREP_SUMMARY mode electrospray ionization (ESI), one for analysis by RP/UPLC-MS/MS with SP:SAMPLEPREP_SUMMARY negative ion mode ESI, one for analysis by HILIC/UPLC-MS/MS with negative ion SP:SAMPLEPREP_SUMMARY mode ESI, and one sample was reserved for backup. Samples were placed briefly on SP:SAMPLEPREP_SUMMARY a TurboVap® (Zymark) to remove the organic solvent. The sample extracts were SP:SAMPLEPREP_SUMMARY stored overnight under nitrogen before preparation for analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Low pH polar CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME Waters Acquity BEH C18 (100 x 2mm, 1.7um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS Proprietary analytical software for integration and peak picking #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS raw area counts MS_METABOLITE_DATA_START Samples PAG002_NonInf PAG005_NonInf PAG006_NonInf PAG007_NonInf PAG008_NonInf PAG010_NonInf PAG011_NonInf PAG014_NonInf PAG016_NonInf PAG019_NonInf PAG021_NonInf PAG028_NonInf PAG029_NonInf PAG030_NonInf PAG031_NonInf PAG034_NonInf PAG035_NonInf PAG036_NonInf PAG037_NonInf PAG044_NonInf PAG049_NonInf PAG053_NonInf PAG054_NonInf PAG055_NonInf PAG056_NonInf PAG057_NonInf PAG058_NonInf PAG060_NonInf PAG061_NonInf PAG062_NonInf PAG063_NonInf PAG064_NonInf PAG069_NonInf PAG071_NonInf PAG074_NonInf PAG076_NonInf PAG077_NonInf PAG080_NonInf PAG081_NonInf PAG083_NonInf PAG084_NonInf PAG085_NonInf PAG086_NonInf PAG088_NonInf PAG096_NonInf PAG099_NonInf PAG100_NonInf PAG101_NonInf PAG102_NonInf PAG107_NonInf PAG111_NonInf PAG112_NonInf PAG115_NonInf PAG116_NonInf PAG117_NonInf PAG118_NonInf PAG120_NonInf PAG122_NonInf PAG123_NonInf PAG124_NonInf PAG126_NonInf PAG136_NonInf PAG137_NonInf PAG143_NonInf PAG144_NonInf PAG145_NonInf PAG146_NonInf PAG148_NonInf PAG150_NonInf PAG151_NonInf PAG153_NonInf PAG155_NonInf PAG156_NonInf PAG157_NonInf PAG158_NonInf PAG159_NonInf PAG161_NonInf PAG162_NonInf PAG163_NonInf PAG165_NonInf PAG166_NonInf PAG170_NonInf PAG171_NonInf PAG172_NonInf PAG173_NonInf PAG174_NonInf PAG175_NonInf PAG176_NonInf PAG178_NonInf PAG009_NonInf PAG015_NonInf PAG024_NonInf PAG025_NonInf PAG039_NonInf PAG043_NonInf PAG046_NonInf PAG093_NonInf PAG127_NonInf PAG131_NonInf PAG002_Inf PAG005_Inf PAG006_Inf PAG007_Inf PAG008_Inf PAG010_Inf PAG011_Inf PAG014_Inf PAG016_Inf PAG019_Inf PAG021_Inf PAG028_Inf PAG029_Inf PAG030_Inf PAG031_Inf PAG034_Inf PAG035_Inf PAG036_Inf PAG037_Inf PAG038_Inf PAG044_Inf PAG049_Inf PAG053_Inf PAG054_Inf PAG055_Inf PAG056_Inf PAG057_Inf PAG058_Inf PAG060_Inf PAG061_Inf PAG062_Inf PAG063_Inf PAG064_Inf PAG069_Inf PAG071_Inf PAG074_Inf PAG076_Inf PAG077_Inf PAG080_Inf PAG081_Inf PAG083_Inf PAG084_Inf PAG085_Inf PAG086_Inf PAG088_Inf PAG096_Inf PAG099_Inf PAG100_Inf PAG101_Inf PAG102_Inf PAG107_Inf PAG111_Inf PAG112_Inf PAG115_Inf PAG116_Inf PAG117_Inf PAG118_Inf PAG120_Inf PAG122_Inf PAG123_Inf PAG124_Inf PAG126_Inf PAG136_Inf PAG137_Inf PAG143_Inf PAG144_Inf PAG145_Inf PAG146_Inf PAG148_Inf PAG150_Inf PAG151_Inf PAG153_Inf PAG155_Inf PAG156_Inf PAG157_Inf PAG158_Inf PAG159_Inf PAG161_Inf PAG162_Inf PAG163_Inf PAG165_Inf PAG166_Inf PAG170_Inf PAG171_Inf PAG172_Inf PAG173_Inf PAG174_Inf PAG175_Inf PAG176_Inf PAG178_Inf PAG001_Inf PAG018_Inf PAG020_Inf PAG070_Inf PAG082_Inf PAG110_Inf PAG121_Inf PAG139_Inf PAG147_Inf PAG167_Inf Factors INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Non-infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected INFECTION:Infected (2,4 or 2,5)-dimethylphenol sulfate 1097039 968319 591830 1202830 1858842 621382 1035168 1186270 1124862 478587 616791 457879 792382 835268 1255014 523644 804783 1051565 951428 1148496 738890 392481 759223 1034687 466949 417613 775242 648455 491202 807291 940293 1485280 863504 785262 455714 883629 1540275 547252 966704 303846 532036 861194 577004 763542 534609 694857 939622 944630 894072 1016109 1500408 1391597 512650 575019 666333 954616 432014 533995 421530 626209 768189 1184895 710766 1192946 840035 495655 548286 896941 1200159 644852 551505 1536838 727281 590551 488547 463251 1578446 640158 1076585 653226 292529 306071 260316 1076833 316250 339006 265497 109614 168217 1352891 966257 332157 455200 450184 780716 484381 599129 817740 678155 441512 209864 1276687 396577 322882 407673 248210 190432 865209 114445 283182 710989 313981 363832 404365 731259 174279 262766 409091 424338 96741 268683 62255 341474 214201 315920 415643 159641 160047 702943 418639 376569 715397 889352 64476 451339 507095 521292 400214 206045 102088 273815 546782 108083 807162 73069 254184 252472 1164537 196911 106321 382134 239964 124850 380994 499987 323325 166143 432117 81232 214452 1423046 973042 760757 375865 352219 829444 148699 298911 304529 124094 117334 1402338 344258 282821 244106 169417 813323 176881 350516 1288676 193364 110906 304931 448277 243907 283992 1022946 113127 261339 1281921 273734 90296 1918096 711763 733544 207792 277443 273298 1641284 1,2,3-benzenetriol sulfate (2) 70271 739953 98165 258695 178661 177238 2699790 2175113 79580 7274272 158137 290235 24512 29219 118072 34473 459223 2325968 4136169 156995 294270 344907 34412 3527224 2893446 1090433 105866 75634 137273 1552783 45040 3972811 165154 2462580 72771 839725 46110 71830 97570 686908 37442 3476913 64922 208128 16680922 808965 316058 221545 382604 18600 36600 115868 51799 370303 114197 127672 140589 21625 90843 382780 52938 34807 173106 149463 272275 283847 83573 2379181 1643271 9710831 185865 114801 103432 174860 932450 124960 7936079 337340 243705 676097 21271 41413 161684 22338 22902 3420933 77351 262348 351937 243484 543368 608357 87744 762265 51436 1596782 24102 2393299 1776361 78723 85260 132689 191420 300290 29701254 606316 16248017 145108 127428 36287 6026716 432867 1109193 5945726 90704 10786137 62536 82048 15994 591090 1,5-anhydroglucitol (1,5-AG) 71470528 56314728 53218272 60081060 78649712 114042352 49344808 67885192 52608672 67046400 63709864 81805936 81147768 48543128 64661244 75401824 69027432 94776112 76627216 76848296 39884696 65241552 51425932 57629968 96838672 47490092 58242956 54603096 88379960 57058380 69825488 60012508 32396870 48504036 72024256 50252768 50805632 100817016 51558288 90000872 65253840 54360420 107408680 101246456 58880204 84292776 21275344 54723144 43092412 103353264 71769696 85828376 51952036 118685712 55824220 73925640 96988504 59250224 90320272 50316216 90797096 31210564 153315584 46734340 107961720 43553244 41476340 103537720 69812392 70151768 73537328 81015664 88569616 86496232 100925232 79616440 56555836 46692988 69967168 44987180 77911112 57672960 25343826 82525552 60684656 51478960 41436968 56624796 67535296 53361616 86295384 55636144 55744372 155868528 55896848 55906224 3549339 93663168 77960360 78379240 57065292 48575364 72130824 82964992 119273328 49675952 70817696 63549336 56014864 60494700 100062256 68439736 70370032 56127208 98528488 81020112 90267352 75139376 81675264 70931544 44025492 71594424 57354184 46023116 93159824 53595396 79026008 39795584 97170000 80574448 67923344 70956400 25136336 67341512 87306112 56879676 78372256 126335968 44402164 68186904 71019624 23344876 155868528 114377200 76225320 84158712 45338780 60523144 45144696 132552584 113801712 95953232 64976004 105236336 51496116 98009704 79284736 103438552 95451840 37255396 97473608 35189544 187034608 41627692 102749576 57633588 59671244 99515112 57501372 69126640 75630792 74995912 87556784 110356064 111780408 80220176 39285732 59055956 79271184 57096164 73356528 57019692 18683342 106740536 49341804 44508524 46091092 48710840 75401352 139034160 89520088 122524512 110008904 75155664 24600726 78737808 48448444 42635716 43857564 1,7-dimethylurate 561227 49722 114468 62321 2657167 125820 904757 121964 72748 26431 4122553 65967 373708 246360 509617 306333 151997 318668 134929 121233 137516 144127 581454 302482 204117 673028 718920 509487 68259 351738 358362 493811 825779 54202 458086 328803 98951 1296347 434571 76335 120508 58154 139044 359842 462428 590797 490155 274421 663398 54492 414753 140837 84057 1138902 185815 191865 177395 1-carboxyethylisoleucine 35450 71506 77050 101034 176869 124826 35437 262947 51363 38795 31548 51964 109396 111680 88869 54916 60766 94228 67795 33303 32608 62755 91138 125161 20956 50960 54533 46219 58573 18677 33347 34762 105369 123265 34485 26090 29076 52270 51181 24502 80084 35182 42026 184918 78536 86350 144360 68145 32951 26944 30961 115816 42815 41036 82441 32352 28587 194234 155067 23288 64502 25431 44811 41599 28773 50427 126838 88810 111911 119265 72199 134666 29765 27763 83012 69108 74872 109879 21134 33102 55080 85193 37580 169025 40867 52588 102218 83806 45461 54628 25964 27763 18089 66270 63478 62721 43107 26862 120514 42483 129416 95542 58884 65477 35400 92406 140101 74554 44074 45205 37611 53819 25348 115720 46340 117052 83880 64056 26405 39620 123480 87086 43623 37456 30563 19850 47767 54998 70293 81487 66298 75037 51170 91859 194602 66305 88292 76724 16349 37867 93436 49390 25628 73641 94933 26722 57224 47687 1-carboxyethylleucine 135455 131264 109744 217227 259156 201303 95214 396658 94306 81676 75126 83860 73537 322168 122769 218932 92117 94475 239285 57154 44297 28644 102447 84195 92352 149444 131348 51269 61479 124030 51041 59178 50899 153547 146147 112248 121288 33023 45372 56389 86169 101166 121808 144699 173100 50675 134499 322290 144454 97732 140446 85051 52354 77007 125960 56583 60165 138133 144580 54957 79196 80444 68484 145373 73608 55788 40196 159722 159296 53232 78750 81727 43439 90420 48106 103595 30372 118093 170782 106398 134537 124234 100004 218553 120918 183232 116849 226681 268578 105815 204009 136930 102000 127886 141943 488521 70504 211529 207389 541463 218310 103755 84822 394554 727375 137463 132395 299134 221881 105854 96902 223133 81443 254878 354436 76279 193672 129871 253388 271433 92966 112191 77278 133765 102135 184373 122698 361433 86047 125081 148255 91634 73312 195530 332932 128659 368690 158975 195223 116774 196717 129758 64591 37715 128649 519334 220700 141810 487511 73467 85202 94543 334357 178543 151654 367341 209408 233821 296411 72139 100251 119481 401012 83129 149707 154007 73587 277357 100886 114697 266564 182438 28897 249153 69001 90416 69306 73960 29442 168753 1-carboxyethylphenylalanine 403138 313042 299945 536439 852507 512814 199652 968695 207599 73930 240736 116907 328629 203928 369619 429851 496821 325309 348727 528236 312477 166772 84215 226613 356772 401872 456048 189219 254956 239068 349353 301670 291585 193168 258704 541943 482392 174920 333864 88790 118740 126803 116672 233876 203828 137450 416630 202840 211236 178507 601187 300082 403884 199596 427495 319196 123805 179419 166077 143599 154316 187094 179048 164775 192196 134711 442350 148228 187478 488880 151560 135571 136489 106443 689164 677604 194313 190090 240172 147746 191839 145438 188458 190151 138400 256604 166434 124643 272008 357777 409652 98647 133889 405551 590996 363861 697619 141547 154840 526203 348665 389908 434346 748415 863170 420008 510151 989622 1400017 574332 448950 424952 2365147 1466242 400034 229808 835801 1068090 874778 437719 400468 359570 460802 648546 600743 472265 560173 1012970 397889 369713 328451 460162 1568903 477424 181071 865590 522116 367521 390713 369253 702131 839113 931312 459252 339624 211092 946842 385057 475942 230406 1780024 403548 1227599 298987 812087 937042 435372 339175 273044 298625 185406 796320 1167052 606666 396573 983593 385707 367718 225806 326984 521222 378918 569508 665859 643248 617605 1522011 521526 231965 431197 1498004 223649 700498 596906 434356 354378 292402 208817 393411 644418 402715 112902 546888 347247 970030 146792 392386 252564 363664 1-carboxyethyltyrosine 37206 31478 39023 79418 134713 57832 31564 166952 32044 28955 21841 60307 21481 32676 74506 100299 44598 31447 91965 46408 32740 29615 51669 38418 65079 31247 26032 32630 42698 28825 61303 69124 89125 60177 35287 36538 25520 82458 25315 91716 81330 53146 64378 42759 46481 29359 22807 90957 27377 77137 103751 23888 14798 23849 18614 42030 73888 25239 44882 53372 45442 72953 22183 16701 21722 29257 69034 102441 33144 31201 48892 73013 23114 46181 58351 174442 49518 32167 131306 80275 94850 43839 30187 27517 27903 103584 43226 37132 75389 31499 23282 39613 148787 48770 39427 84292 82485 59420 23209 103437 95864 51023 104392 45841 58839 95141 101941 33441 116430 65566 34419 46011 18895 33843 48530 76370 61824 22163 41484 23643 25973 31217 40066 47954 72031 90306 71911 48182 47948 47121 71255 180735 26545 73656 18702 68477 41005 19228 18652 51071 139184 36632 89152 38036 64865 61441 50286 40301 1-carboxyethylvaline 396199 352362 301464 587215 798575 552885 252476 921931 221246 79393 216118 224392 280177 262442 628272 385440 540472 222125 301643 442007 299927 224042 128933 229239 291105 325144 454390 252959 255154 211329 224880 295510 202128 183870 320156 417551 623095 232725 259195 168186 230137 227210 202019 316866 320846 306895 417875 293961 217494 357151 833847 408269 273912 217942 401226 353867 315492 253234 232543 177926 215796 181420 257346 212669 224877 159550 408596 231028 241801 344162 221022 117913 162497 130056 597950 596514 260489 186564 333005 172185 306904 194090 194775 176000 131686 253087 132310 138475 269710 535241 349697 131015 134746 414461 555840 287128 789774 287542 380752 254959 362700 563567 343339 664504 532673 321116 316197 445239 910142 279822 382923 566947 1502812 834426 286987 255480 634495 1419237 643634 388896 590062 414765 275942 393472 680160 309726 652588 730377 153568 352889 183709 348820 784952 439682 169325 491135 373575 323040 299795 312987 511494 663664 1071166 333522 251153 302720 462238 345266 325766 303969 896489 430641 802201 170503 556808 471758 307130 420322 321136 335846 220847 500207 1155726 652501 409898 907921 311158 288027 145299 323822 654282 363434 320426 618158 630736 444151 792821 255295 280920 371451 1140776 201849 642499 333206 314883 577290 236881 211958 352922 671884 414834 102452 353377 285121 449909 193820 389076 256459 248784 1-hydroxy-2-naphthalenecarboxylate 61040 37357 103870 37950 69068 59386 97982 86370 102478 125718 112693 61096 42195 58774 55303 102724 43048 50697 79098 86139 44428 49480 65602 37552 108904 36772 74687 34534 29135 40449 32103 71410 61824 111937 72347 48583 57526 48692 141728 66905 37706 152108 37565 60954 112779 67466 196512 56639 30491 115673 70120 31600 30325 35483 57851 117901 53797 45446 70222 59472 52532 53371 113880 68568 31312 41603 66499 63762 66219 77392 106046 63786 129997 54640 62031 54270 105733 56355 164372 113766 79859 44472 123318 39999 62556 120326 87522 68879 65142 52497 32045 85625 44521 91017 78641 61299 26653 30356 32060 55787 34350 104734 175778 158542 166034 31616 103153 148576 121184 32761 42318 196017 37301 55920 174023 32823 163958 50462 226385 107418 60003 49859 167656 97207 53763 49947 1-linoleoyl-GPG (18:2) 506901 606161 628023 628113 782604 564500 491502 1154163 358958 541108 494870 187668 415272 404418 387119 373904 259424 536403 827946 299226 470732 965828 438740 352274 569921 550813 910702 149298 452242 670825 487251 353349 844097 615959 336293 676567 633546 179176 419609 357353 574887 250589 373270 534410 646175 519337 553571 552542 274049 614592 444432 349837 242084 472890 604079 327068 296766 538251 526681 327737 249986 278489 320512 477862 214001 377139 233880 197677 512318 408204 457372 224660 237395 545859 614042 452247 416218 716384 628289 153051 325906 459281 738998 266111 853118 197395 97205 110599 504055 659355 348073 453317 611230 997931 336181 631025 409237 214001 370983 228119 346250 315672 162809 373782 207231 231922 483345 96370 332015 158296 101986 507463 93026 82269 227904 208199 205332 81408 99805 250632 223796 205303 209373 427948 331477 239992 135204 139422 145789 298062 147125 410258 243288 295813 263360 369416 305541 122132 53053 160605 185703 232819 337299 613653 116817 142636 211515 164385 175282 139656 224656 64513 182697 161101 139084 298711 276956 364343 96595 202469 114516 57297 351606 85557 291219 387803 243268 172583 375869 189138 230389 227861 324143 369963 189133 743578 183954 364559 295707 225596 1-palmitoyl-GPG (16:0) 401044 371970 356429 788364 570972 903590 351018 203783 143209 163760 150412 212451 299979 499490 115664 458667 693377 155408 303745 770876 410124 176158 459297 441679 360123 107271 369871 694532 261073 736559 390230 297938 341053 418710 239907 127256 194340 102957 320972 358415 103388 172116 179155 492870 210018 173358 236381 141678 332022 176255 303663 317880 129229 219497 129558 692673 640141 437848 48870 312799 548907 87225 400588 351058 271458 520743 339150 487142 114152 252723 107818 155171 132384 606248 77547 189309 708162 267688 133788 128062 219763 79874 465074 176931 126347 330752 117496 143406 216762 346598 413101 231623 151217 316232 304091 203345 109670 225124 210527 91237 251428 174236 442540 133257 202630 72680 250916 96089 51281 165990 530823 288056 145265 315848 240419 1-stearoyl-GPG (18:0) 168692 125057 255767 405752 91794 126209 371750 78204 367860 70669 299512 255180 396257 167225 411085 312601 508508 184506 168332 225873 165504 175538 96907 204831 367589 260637 141747 226483 159990 298723 166028 288158 316742 292702 164519 241085 206587 166950 268832 488824 147649 217774 184355 125180 111068 76625 51799 166440 108377 126131 325725 77921 125276 438978 93492 253120 161842 145104 262044 244570 48583 302422 207340 102262 172041 174086 72192 91503 229193 267353 114009 79812 119474 110375 197678 307973 348788 204198 260738 346981 39341 164213 181066 72396 439431 269850 331861 475024 72286 221508 293780 82533 423830 217337 189697 69166 281409 149000 115755 125988 140194 229332 47519 90118 99947 178717 143214 136417 125968 223803 59993 500488 498659 54540 295240 272722 227830 80880 365352 300798 85021 148282 169541 176565 339040 153557 212976 1484786 193380 539099 119628 377620 44143 103642 231933 151831 399404 160931 226917 352093 135688 257680 10-heptadecenoate (17:1n7) 14386612 28965878 11402760 21289308 12482752 20480686 18323746 19702416 19011178 47638312 41534124 30396508 10692302 32654746 72802624 9127951 17451348 13519595 29839530 18806402 45081504 32881110 25812984 41065044 9432176 12517849 16278052 33456846 17497166 27125278 15077845 15796122 35123440 23682068 27702140 26432790 13372355 65884024 24700952 31536294 63360216 35116948 44863300 17019070 29768118 47289892 26026004 28725674 8908894 34962776 16587977 9731737 12798973 31132094 15249489 12330053 29140232 54923016 33469840 44291408 23467636 18086800 17932374 15662534 42356300 26132792 9688079 38306496 47248928 14048356 55226976 32225214 30355544 51292880 9865229 10659154 49189844 37463472 19067506 57287528 41534792 41586068 42371344 26730528 43801060 63106540 49264756 44670964 32920870 11738990 19652208 38707092 40542332 12727359 45091304 10284334 17442014 37738172 31883710 35537932 71899008 21931902 14388775 27751850 23695480 13038478 71379440 38203520 27929682 7396037 16394083 16539592 83265192 11471591 21625726 37150688 69089536 50053828 17643702 39825700 41186220 76824272 23520764 29823054 10679078 13163578 62841836 23816480 6938516 47441864 30867268 40289328 46747124 78123296 27360006 30065906 31799570 42194896 26128362 44965628 30649574 14262173 40318768 29959688 43795380 42999716 12153328 8776943 70561752 32993866 12716559 9330524 32298486 23414606 10732079 13613463 12762411 35881748 34649224 26647686 11988019 18960584 17662334 40065196 74574504 18036786 10276341 32119780 44645244 40876080 41958680 19275696 10380782 28315210 20071980 25578748 48687728 12634635 35504012 20710878 35902252 30502968 55227088 20868936 9233883 42872164 55965104 32008990 45616600 8564608 78068456 48949972 19674860 11223964 10724103 34750472 8544755 28576872 12919245 10-undecenoate (11:1n1) 4866080 6256209 1308482 2332043 1301961 4774863 1134429 5149629 1831235 5199397 3711752 3112999 1747932 6481610 5211108 603326 2699331 1984596 6082904 1565583 6965488 2953879 2765296 14994903 7062556 5607824 4643539 3105875 3325883 3090284 1596760 1357186 3155104 5263966 3344633 2453332 2532915 6744409 3721047 4964584 6945985 3848792 8319714 2149476 3579703 8105791 9016623 11700049 3612682 6577698 5790444 3399024 2265047 3184802 3208015 2268147 3485275 8066190 4230885 10331136 5126333 6084642 3760790 1086976 6597345 3003570 2692536 2655143 8922906 2661013 4494346 2360612 4320513 3692738 352399 2717497 4740712 7449276 2020593 21737588 3308883 3771440 4305619 2167274 4934064 5138599 8528050 6328112 4286625 1335358 2112983 6254102 4857423 754530 5686229 3161513 2663636 8828070 1864604 14651930 7723488 3633046 3277373 2095026 2317531 2598702 7861426 2628224 3783372 1148491 5418994 837865 4590284 1303482 4483562 14124645 3615843 4832519 3595705 3121281 7030016 6650852 2309952 7349335 4753982 6002934 8843389 1905574 1165215 3816928 1579436 3166346 7158921 3328368 9224954 4810546 10990350 6964774 9868023 2278471 2685109 583242 4402133 2556006 3566693 8397846 2557959 4345153 15378001 11560753 18165338 1030966 4597756 1953578 514978 3406681 2167066 5417276 4861025 7785803 3850731 3528669 2743066 2279760 7300873 6494933 3525919 3858546 5047621 3890784 2031653 1970224 1721944 4817898 4648620 3248491 9167200 6349148 11265876 8995193 1613356 9403679 2911164 7273616 989571 4998975 6942602 5163943 6799261 1367389 3149278 3787159 1923784 1921990 6802778 3661700 958517 1976551 1757412 12,13-DiHOME 1131229 6509457 4686076 7143538 2033648 10397699 1653727 16966428 4757141 2114638 2277120 1253051 4915874 859466 1211161 787839 918448 21628286 8808593 4313448 838356 1335267 578030 8449939 1171830 717622 13211973 1041163 3277886 7146177 8578097 1491951 1343831 11658301 1575411 28399264 3327594 1662930 1037831 804304 1227158 722950 1032953 746247 5482363 1646227 14922853 1606718 1773724 1926102 3687067 2197643 1172413 1433732 1203789 3220778 1289882 4199509 4783448 5913996 964993 811973 606208 84540 882647 546301 1694921 1683927 1751112 992901 1801631 3128830 1727309 1396818 510014 928467 3270117 2366834 4793353 2252268 1645189 2770544 1711087 11404584 7368035 9164893 1469830 1495059 457203 2492311 10125365 1335265 1991184 9713855 88312568 775884 788777 3943849 1940512 1920037 5650360 391540 4151784 2648161 2232565 3798284 13486842 1213848 2053914 229701 1180039 692000 2668925 618981 4112954 1592811 7350995 4192293 1728369 3793799 2480557 2702541 822421 1546636 643700 1700623 4453751 787439 627877 7933846 3833990 2990884 2127464 2351183 1140766 1891853 1925072 3562183 971813 2737221 1332789 1548715 831273 3141763 2683093 5344651 2189292 2750600 3585453 993648 386848 512024 2841149 1541822 3814747 3276103 682701 1612702 2068343 864805 722517 924973 850314 729845 4552288 557860 548698 1431399 2125324 2860382 1212826 451580 1015164 967685 2839981 4940730 2417585 890058 2871252 2407986 5993509 1454604 2744708 2837161 3490238 4833262 6869674 1806943 888580 542654 3790863 1761565 1052727 4629859 374259 2583064 692281 741858 2295624 12-HETE 17625642 9230845 47136044 20467276 47397248 37608720 27662568 59730996 61901996 18234324 12890486 64776612 3091587 17384224 8960048 10634519 66070220 3446363 4421061 12916969 13825249 64426772 38727312 91085136 44583148 29429002 37659500 105342064 7455752 21459800 5608642 54569736 19365290 10294268 5314516 18650124 33306040 16387360 31982462 30016586 24551418 8965727 14820342 20084402 41712496 28854446 46967128 11027578 22983084 35551520 146617184 23444794 10798795 26743092 9180638 22705246 30042492 29716352 19207822 21045590 57070320 6934938 23524058 61591372 61526232 105080472 6365666 17252736 28239860 16945160 18707122 11469002 21256066 26103726 18846688 17178356 23886016 29828896 8978708 17135528 82360712 20328362 48601672 14914142 5895566 14282280 9357543 5027466 32627012 29576284 33971636 10377505 12255132 51154736 14968116 38277124 32229044 38779804 95446656 4816272 3260403 59708856 4974371 2964408 7363137 4246346 1973577 13909504 7527727 3201848 1458954 1907190 11508628 8540294 19013080 5803061 6991806 6859454 10527736 7118874 11106065 22317514 26932450 3519144 8239748 35321520 5976074 74808640 2441629 8486711 1028680 20322578 3173932 765213 7939311 4639867 13540238 5675232 36679988 25986900 9098303 585791 11971264 5319337 6125330 10558785 4118267 3470838 2187798 684836 3098176 24305810 13583091 13782398 3442597 27417194 13925639 15210151 13146132 13502826 32218412 1689327 3917202 6979991 32271848 3756226 4773637 10866821 3558443 9185007 15520827 7603252 9486702 40833264 4440484 6077072 7775545 4196321 2360823 17336142 9026839 6374887 29242768 5262669 11312703 33145398 11030291 9494651 5373852 79609520 15790817 9187729 2424040 14141743 8185467 11951843 30862308 9754532 2639928 12-HHTrE 2974565 928214 7714615 2518916 3262074 5735164 3002670 21713976 6919632 3246125 2340369 10521203 1569114 4867042 2597823 2403931 15037912 449484 535613 1801770 4819924 22560434 10750903 19114892 15234640 10269700 6113547 21504978 1593816 6179269 3378309 20270926 2059267 1589703 1288471 2735814 6413743 2004717 8538569 6498344 3506352 3751319 2677490 3235823 1533559 2137782 4729550 1054349 4041063 1780776 22835208 3134822 1957738 2505399 3545341 3338386 3276712 3673944 2787196 4222200 6426202 1070713 3216955 11482304 10359201 12329363 3032038 2102501 1680719 4312415 2998799 2679660 4436815 6807941 2262002 6545221 2749463 2950832 674889 3016379 18183856 2064352 14086390 2224220 1487114 2369656 2689856 1385640 9593080 4329170 5415732 2640608 3260325 24301650 4127099 8314116 2651593 3401214 8207714 647676 899774 8724325 1548402 622191 3058231 627058 2722166 838750 2211106 559435 237950 3152278 2097758 6190575 1260751 975674 1537116 205689 2653374 5062338 3583054 5628252 1548589 2351580 10285478 1086072 5639613 786573 1645997 584408 11301092 701530 3609154 1783063 4199818 973339 6861339 4012997 3514658 314783 2570500 991284 1862657 1435183 1062000 1758041 612492 230974 2406036 2451123 5554485 728762 7585081 2580469 2577494 3040627 4822700 12447397 682002 742060 1184404 3779067 713090 3798001 1835712 1413788 2479762 3451058 2109174 2649119 10119660 864827 2410279 1014182 1088248 501951 5380141 1668373 1284351 5458728 1789575 4497489 7018095 2295788 2767172 716011 15208783 2175493 2264040 1846895 4854884 4856447 2899996 17727340 3611247 907239 13-HODE + 9-HODE 7580711 14718203 5894490 23645950 9705033 29341812 5323135 30555030 9205755 9794170 12427370 8074404 9930335 6574707 11052144 3303456 5621146 22076248 9819525 17202432 9283151 7441689 7982751 21276576 14771789 12808438 20962766 11243149 12059802 15877988 20381390 13757686 13862828 16988406 6417265 42904320 14196917 8807507 5600877 6255372 13016753 4244688 5750194 4544279 15464002 9868449 28330488 10533387 3736839 7916269 9401758 6964877 4564265 6751916 4777501 10373017 9304838 19919224 14514350 18359316 5056395 7218823 5849856 4695804 8552142 5822352 2868898 10887418 10962696 5029044 9988104 10457638 10529021 8578085 2355380 3625759 15403651 11237050 14970536 14475935 12791509 13879260 11472370 29546208 18145184 28037790 12419028 7859813 5854448 5642126 14724047 12241211 24452090 13523503 212976640 4072788 3635403 10004207 13917661 7715004 19711864 7417460 11579284 7854378 16559413 4665124 33464096 7911191 6337111 3151716 7022413 6957549 15665843 2542787 14720751 9436801 23970214 11930752 4490483 12494044 11826182 16380205 9988772 9576010 3505083 20434446 16252767 5102425 6160951 25671856 10202715 15933907 5804589 11116219 6502266 9070897 9842075 13063845 6500933 14220042 8828453 8465107 8609809 11901319 11436826 19794142 4536406 5672920 14006498 4378789 3786345 2471221 11053446 8126967 6297656 12757491 5842075 14283470 11004233 5911314 4334175 7057948 5595375 6994234 23444980 8270240 4381373 9810679 10715296 13082034 8246328 10961404 10052995 6896341 6591694 7385691 19354604 2796106 10824468 10292198 21199792 9308530 18155850 9776814 4457712 18813480 41560520 8803724 8691014 4589340 15473212 10996540 20701922 8773037 2620210 21969268 10401314 7150462 11883182 14-HDoHE/17-HDoHE 1735101 4243160 4036067 2791537 3330031 2074436 1469080 4115687 3053126 1485010 2615584 2789073 211321 1633631 1037495 860601 2490795 277942 761810 1680818 581677 4111182 2633675 5932843 943770 1410265 3656535 3695685 586805 834638 113497 3415369 6486508 2811511 1305791 1764637 2122185 5102600 852393 1936445 5012897 700790 1945648 1694278 6468922 6789390 6037388 4182139 2351319 5311716 4851537 3292667 1114363 3909167 509229 1557524 2698670 4553978 2638910 2938613 6643872 1787486 2180515 2033285 4073408 5212794 572093 2132275 4432990 1714200 1949987 1197075 1521703 1552276 1477796 997365 3139610 5031339 2311959 4490554 3900161 2102470 2858757 1169966 1531981 1851004 919795 871416 1437949 1949041 3275536 884509 1474210 1034194 1181798 1578277 3746567 7751897 6494556 1054471 9697608 107320 410476 274162 1035055 1294771 372573 248849 1903594 609129 1451929 536514 453880 573550 801757 1011625 991594 3594261 2002651 704489 392594 2772817 1120970 2908118 305394 588576 1238523 516333 1015249 343112 2715786 384773 2853360 1577150 527454 1306110 296321 490491 2545417 669123 386408 358806 182814 428146 2073538 2257027 713290 729060 1308507 390388 2263338 1323859 422446 1212183 246250 599224 740448 3931920 506473 431492 991103 562672 851391 1771449 826654 691586 1249810 1144497 306735 884784 871216 573539 1243477 403753 397414 2124556 423389 664444 5681054 1437949 1498860 323757 3410407 1769720 1584237 336698 692480 333051 1050194 1206035 216059 16a-hydroxy DHEA 3-sulfate 301417 600912 1111564 214320 232573 166819 671533 1192565 161602 65662 100182 46004 288972 47503 98755 877845 1406303 227433 140762 173821 132253 293093 243584 126013 89040 501964 383883 165537 411735 235443 64208 52078 111106 438517 490557 211523 84149 283070 515469 64502 2814854 419900 930466 40385 398015 2044146 105635 298079 774203 822783 480225 123006 479051 954053 107267 35570 1197005 51945 349701 2699727 4257826 646750 602529 576470 901627 1945797 170186 1531004 99120 499336 150830 224814 35695 584922 238068 675773 1307554 588562 218836 650261 939394 1545805 298079 669397 390816 391794 896999 41534 113972 280476 285740 84249 81996 40932 194960 283041 1314993 2761030 97342 137923 355532 124482 191136 222832 351252 520976 222959 819330 1330251 79242 465973 330547 167043 134313 87605 96970 188046 198599 432189 448760 205565 26279 889772 93006 1673460 2038710 115463 2475427 547349 2700630 43975 398519 1392557 22541 595682 75241 46505 456853 1347531 275841 565614 279535 483224 803373 90988 170007 873206 195102 415188 4075263 5216976 617931 988235 632753 1478524 4557372 154712 1601323 118060 517753 284446 199159 237461 442446 798395 996231 213320 102349 33406 50524 1814496 2'-deoxyuridine 663901 287049 500342 480357 423308 564111 546654 407356 504515 515002 393800 522539 302823 354552 551000 215264 348442 303140 274246 541555 362864 496736 560659 597840 603416 453945 487732 594216 265056 321555 322533 604538 643112 287975 460753 386924 650131 196009 287187 430291 420471 247673 358690 260233 504798 449385 423109 388867 218930 661175 445218 467021 349656 506339 387663 516309 348959 675419 714843 450837 617928 307725 554420 443835 655033 511939 508399 468059 312719 449714 447000 425517 491989 306657 457124 455748 318782 325375 439596 415157 431571 224291 381042 497179 239044 355779 347371 386924 347027 500031 330497 228915 532583 352553 161741 200707 226240 447310 651492 339929 149130 543653 332777 395020 277687 166642 563989 135524 150714 444706 159116 508657 455477 397984 255504 232145 153930 256466 224016 306578 444984 447643 192841 270275 474546 333961 274025 150298 446298 192705 342232 487790 577141 317419 439674 150695 417768 384900 284022 350227 353223 569705 363793 141117 362535 387844 334572 27911 221613 207903 462187 332072 275550 353129 222816 498219 249834 195110 236578 518536 176815 290928 446265 2'-O-methyluridine 139573 113901 101183 153685 208300 93808 139458 96445 72322 139219 133276 198905 144624 107363 110610 108889 131575 97377 108453 154553 130642 83828 91039 122730 110138 113919 104740 126643 124698 183419 120555 113633 104776 84600 227364 124236 147657 150464 105371 94476 82421 98720 138334 148319 106895 110846 158212 139899 249406 115510 131422 149803 164709 114766 97953 105530 108655 103742 125482 159146 191902 65500 111705 68132 119720 44710 115361 101492 190560 79736 175085 203981 130500 125222 81508 59345 102894 222955 102135 108986 98338 190958 256324 165488 208826 117768 127607 101713 180836 91691 80764 79203 116997 199430 99232 82399 184407 110648 204923 102749 102945 112658 221320 191412 107642 156699 153239 98430 256644 167573 238349 139336 174740 74173 225658 120514 225811 336669 69830 161170 244810 184375 163968 114472 151835 117742 92189 229954 88451 359498 104909 134440 64660 139870 179968 150078 170485 181038 68998 120677 65927 121001 172994 116075 95429 172563 181277 202726 259560 125966 107088 163579 212507 97553 190502 113583 142611 203731 85374 150345 197051 102487 188456 148287 105144 107059 102695 130795 177539 155547 278406 238357 207949 258747 193306 157116 158790 139307 153517 186431 249734 166042 289460 101034 194070 56703 184513 115360 135343 216298 87224 172015 110078 145146 208977 205904 117518 175273 155734 2,3-dihydroxy-2-methylbutyrate 320703 499852 1272039 258951 619727 793948 548188 190413 320024 677687 721579 754319 783156 271633 906689 348121 596941 5748068 329751 240156 181082 462930 611068 761379 621000 595343 493073 668550 716635 729077 736846 203640 2349761 1856804 852798 1596054 478493 222070 256459 526470 291309 358877 566448 3774891 567589 1427815 744081 1658818 682199 498631 684035 363693 219851 446413 743749 345826 484413 2334955 516004 390233 549032 10690809 391140 214045 1357642 790207 156909 6474521 391099 3509449 7200955 5055065 4238382 4725730 1196143 3174461 547455 4552342 2852735 198632 580259 703636 563590 1084867 398437 300392 671166 251365 497952 401090 466598 524566 754138 310453 853487 426037 330252 2634470 4057324 1549720 250248 9471081 268478 170140 5133316 153979 249233 235147 470436 266678 10075833 27155 111825 2262136 234181 143098 606324 497273 455431 51647 328144 362856 262653 183220 361791 288522 1735074 256855 467768 595524 201932 228347 627292 241034 89853 440544 379662 348362 91977 769308 2655291 153207 196517 1827568 92863 167564 293027 287602 280386 647189 637395 278212 274102 116748 263507 520074 1072557 709574 204249 203073 376190 528458 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA) 2663356 3012939 2680658 3454451 4401660 2042243 2791731 3056259 2158875 2681453 2486305 2640928 2599412 3068223 3551902 2186453 2728429 2379200 2484822 2315056 2501430 2310094 2182537 2542223 2816975 3304536 3745145 1989752 2591245 2451357 2867367 3195905 3588110 2120240 2336066 3049964 2688329 2393950 3870047 1865485 2571015 2458480 2450049 3105149 2397098 2073844 2888780 2829557 2544059 2928165 4616306 2732294 2593098 2697013 3569198 3283859 2493668 2477605 2578385 2710927 2719919 2145659 2390151 2035692 2735410 1872132 2728039 2971563 2840150 2729666 2675532 2585730 2236214 2522981 2353526 2913033 2806967 2656431 2453330 2726355 2610156 1843480 2579807 3031395 2243657 2433167 2801460 2280013 2388909 2421409 2626897 2035606 2808314 3029999 3336105 2218275 2891836 2021401 2382772 3053962 2477860 3200561 3130673 4816383 2257598 3250137 2570679 2600654 3229932 2520086 3005005 2702073 5427862 2790939 2597335 3020444 3085606 4484931 2397748 3082896 3004710 2476270 2688103 2667669 4072349 2986090 3231445 2401300 2414753 2951728 2552675 2695549 3899095 3122668 2808256 2505323 5344807 3143073 2698936 2807257 3432672 2829324 4341801 3885591 2398941 3359889 2479707 2734082 3000825 2750179 3276120 1890393 2918440 2456446 3183004 3667413 2446608 2698686 2966298 3082659 2831373 2868003 3196056 3817030 3262646 2999191 2120410 3273042 2286014 2871602 2827706 2641938 2323281 2773423 3069112 3197844 3299047 2524400 2433880 2837155 5762947 1699160 4036643 2258717 2540001 2168445 2587659 2514354 2475129 3142681 2203313 2797635 2356646 2209734 2733041 2613880 3943157 2325719 2631719 2,6-dihydroxybenzoic acid 3234185 3497733 7525254 10500947 16177369 5752772 10376256 11203880 2446137 5304800 1341816 1371362 4689178 20811428 32362516 4392736 6296565 4789839 9542422 20030476 1289342 3393427 5225680 2571139 4784595 5014289 14902515 11719942 6610395 6648086 11109058 4647333 6127254 4695981 1595275 5561530 12268282 8981080 13515896 3152766 2253770 1715591 1824460 6966253 6971223 7971043 2275840 10728743 1847112 8574229 12707486 5421085 9381889 6110586 5754276 14134126 4608628 4320254 5906897 5660896 5911831 6794179 7756899 4739155 6656465 526115 2542089 2893974 4508633 2194507 1670603 9882581 8662056 7362433 2614981 8838280 4777775 11123692 17975148 6730785 1661457 1624990 2297488 4982151 2164653 9247611 5098342 4072100 2697681 4886915 3121191 1380682 654796 6416604 6932491 8511007 2357791 6060431 3020148 1092594 4227469 1135868 8652041 3730757 7218416 3198563 5182854 770057 1454078 1048733 1833824 5772633 1478603 1050819 6412991 2947591 1651539 7276748 3040360 8774561 778307 1014897 2032496 2374157 3831316 4016155 3210136 2514202 3471526 1766034 6330617 601636 9308221 4079852 4651042 1527713 4859964 6788291 1954136 2824202 1558038 2019753 949505 9252777 2225501 3237055 1694294 5334500 3250506 6189712 6738922 2871248 1737533 5125800 12371224 8373234 942541 4282621 3816472 10702453 4030309 1460698 1523947 5544787 2505780 970148 615344 1181104 4833036 4420249 3439860 11352506 17562420 1164436 5053449 3447836 1274981 2533563 9263592 6475915 3708060 3990112 2785478 1962222 3464050 6436795 15390589 2984047 879680 2413521 722012 1659493 5641476 7278077 5105804 1367724 5062735 1811131 9686662 2-aminoadipate 131602 154008 56272 104587 52153 66015 162658 144351 82171 167858 179361 118890 143989 128935 92958 130789 116452 100310 135112 152959 131871 62400 92861 99681 90949 97746 85845 103758 168218 132279 136816 140069 100850 152053 101155 101550 109651 77537 230729 196292 211190 143538 135912 121534 380661 102055 109191 163457 218412 44639 112548 184016 79821 121661 104943 75625 135912 118018 83210 74478 53060 92453 113818 148235 159571 106905 116436 140477 101915 181767 63229 203904 75199 150124 235322 114185 136810 88062 72138 81690 116873 163665 195099 93882 138323 472018 62170 99974 168355 108335 227397 128168 103781 144095 340680 107453 126863 294770 215245 402312 268649 199878 141108 372093 119308 154585 223188 60647 200313 86631 106894 290360 1439232 144167 81671 509299 284476 223036 211022 168014 90875 190921 226916 110174 390601 84469 131843 456055 158841 241841 97301 161883 131478 56601 95902 282062 161080 201920 322453 158958 208048 190333 161838 419030 107798 233812 58581 120068 672971 60412 137786 201709 309578 212453 181075 83102 206724 227057 527632 105615 177956 152889 115148 154198 96575 169226 295476 132449 117189 85095 105720 191777 233900 94073 85384 2-aminophenol sulfate 2272083 295764 1403161 176218 252257 121109 260105 164043 75793 72406 71061 203409 50587 114930 128050 107544 170212 346750 129980 29304 501823 59525 75387 198486 114869 906155 178953 177597 142469 192930 241344 23365 99732 140324 308176 92074 16714 73147 51820 42833 56007 589521 84708 317996 69484 75216 129874 345281 100633 153306 242055 800100 840389 430600 424820 200323 1767867 1819458 287331 312332 2446787 251013 346813 1246238 73393 55422 81569 47278 86411 74889 732335 175024 209413 68606 60807 86151 19085 41528 27795 80420 408757 122302 1622457 25689 27537 56471 423009 123610 42681 204418 242071 134685 128481 564659 1116228 89196 87417 88465 652617 447793 304920 20908 24856 49122 141227 1146414 60721 49026 468852 101779 85314 267292 52771 219254 27626 103923 199707 77273 505489 64806 97902 92568 166672 41646 103908 277869 29455 61820 138926 351968 21721 48568 111317 566655 129945 222655 108667 465779 182095 129685 101176 66483 220324 478107 47308 93787 96508 39485 104713 110866 368033 29670 229244 59026 317034 40557 29929 45856 208291 71841 166136 124407 41528 39754 65023 99143 44355 43635 40733 97554 354862 30041 16953 182420 286264 893851 350161 17323 217795 2-ethylphenylsulfate 77969 82601 201413 613276 63310 151277 310113 195611 26487 37193 287742 84396 185220 51435 92620 246026 217005 286101 147231 104011 81631 27903 45137 75402 59461 105069 97962 193471 152275 120925 23902 87069 143555 1337471 97231 381655 26752 91483 49946 189431 38256 99452 132802 159266 95569 616424 326276 58655 249399 334068 35108 34261 86273 349465 85610 255888 273239 125887 82101 257889 326660 79801 35281 408641 121785 24724 106534 439149 91697 297474 125375 41903 72221 61111 345802 59071 90360 71109 44606 505996 82040 85716 183382 87880 109207 62051 38301 87689 111515 102660 109337 108544 37800 168171 101089 208730 59149 135381 113235 170146 41868 79832 96643 53211 68720 34823 34323 77174 24992 214632 101233 102640 167730 324861 128021 146744 202510 109370 36954 102035 202216 280648 84063 107326 402807 51962 102660 74356 26142 256783 151081 120156 66166 160911 33284 67809 470836 509407 450026 61480 123084 260018 154122 90263 28440 473912 132240 61131 57789 27664 349101 30492 55818 468053 26662 101015 138564 89717 105931 234052 72764 441207 70374 493888 360625 114608 44306 109424 69435 722682 2-hydroxy-3-methylvalerate 679136 300229 793455 792950 1518613 728397 742208 2276319 1404534 543815 306961 862069 1535124 5501343 4502177 520595 1850475 947446 684149 1012952 855400 636880 626886 653354 751109 1147366 711376 446524 1003327 770257 629991 301964 2271608 277760 648547 616977 755377 383456 695989 214429 220920 797387 621202 646970 452142 586280 786233 561762 208524 1201239 1158064 416813 805092 486576 440906 389696 294322 421416 531774 348459 687455 570893 693742 774241 675249 575183 943503 966175 405872 1482645 1043297 815561 602380 756356 753059 618455 204970 212034 599542 258699 836287 291404 1363958 810593 438698 407587 524267 268384 889511 490141 622653 392885 401875 974823 678646 867435 716855 159303 796911 994220 479981 1412646 2725226 1428348 890118 689867 1603293 1394183 1872698 304658 1061563 721949 1417333 1559631 153956 4256975 1064060 1503653 732215 908124 984684 490520 1055890 500601 2225417 475712 1493754 1765789 315231 1255027 1054208 302646 2430593 1006055 415506 257789 2005787 1379280 484044 352480 2103418 6719986 2265769 1108688 258486 824687 1449388 961546 542540 2073943 1770981 657834 849982 635029 630036 214277 454428 786601 2961678 1165633 903838 2648420 1003405 1423996 634725 1004812 472528 644812 171064 771721 3357639 2054130 817913 1228297 1161265 1208378 1663750 963267 464128 854408 1568356 313555 1866715 1212179 496265 266570 1885055 194802 1466873 1131358 309929 598984 501738 570296 896536 1023958 1028090 1835187 989970 2-hydroxyacetaminophen sulfate 321555 8072643 246712 1674986 185373 435946 117549 19973484 14497220 9308147 16551377 31584398 42568404 1871592 438404 38061228 1800210 17675582 14271687 16855186 2488473 8078597 10799843 9725722 47218780 4550721 33561400 21320106 1846075 11801821 19843686 13522883 486742 51093832 7851480 22717720 6079465 65605328 2058863 917197 2007154 842790 6658906 7148935 1107007 5487722 1351148 10873177 2503322 3851450 12408 19342392 11292471 26891736 11582315 9389077 5604749 9874416 20510434 83565 17971520 3325093 20948220 2181459 2052797 1001288 38952176 8782335 7630317 545270 1665760 47114148 19607178 229655 1363470 2-hydroxybehenate 189223 806424 345995 296600 245380 511544 229054 498799 612358 330203 410304 381304 252118 322803 68212 135487 304619 115018 531028 351346 421690 355213 409017 239094 162364 122527 97645 289022 169109 253549 201806 197006 508663 317171 207134 324387 282176 519376 273536 153504 169100 191316 239016 513292 251416 409688 514058 154648 211106 362389 316464 421912 300975 456230 289716 365743 230826 543987 210809 486872 299642 298602 525344 226947 430445 276938 258580 216337 443123 203135 343602 417264 127762 260276 275556 400816 403183 134305 316131 802802 426372 104754 398913 624224 367804 313824 149226 737560 153280 332587 283613 565306 328192 204520 187380 226995 83004 212998 485258 158461 288330 260650 359551 303511 218064 303774 148075 259041 171240 312826 356662 423615 63370 346624 139314 237892 162392 214197 247706 232454 218973 483300 752728 231237 647631 399328 326991 287727 289369 371744 599542 115913 230375 1025876 181020 107850 2-hydroxydecanoate 6876378 4209156 5321492 7684545 10751038 17229856 4849623 13142453 5700026 2173729 3300252 4798755 2423057 4301739 5597057 6200391 2129722 8346064 6297759 5171852 7421245 2527611 5553707 6451793 2653369 2207861 4038918 3229095 2763636 6726091 3293458 4327688 3839932 8789829 3755400 9055265 9138160 1823043 6453804 6161329 2381755 2759419 4581811 3771280 3353230 2371900 12369755 7687318 1341941 4473219 4209201 3298141 3075524 2873498 3708242 6697259 3188590 4387221 3485311 5241727 4434644 5958958 2347167 6469057 6936596 4602121 3676384 8173589 2469291 3021641 3308201 3890540 5608894 5962756 1930019 5031449 3350762 3075115 2625125 3629756 4931025 5440211 4896450 4862772 3733540 5241196 7324257 5583110 2789137 3541037 3885316 2596027 6222748 3736178 9176062 9942377 2800189 2986203 4800772 2835340 3961668 4395263 3516568 3145416 11146518 9898507 3986535 6847473 2301943 3696710 3500314 5929889 5423999 2718993 4038873 4520192 6236480 2813272 6409882 2764305 3133635 3627596 2025427 1801622 2667924 8502086 3222093 2792827 4867556 5070271 3721120 2225750 3173681 4641304 3873814 3042854 5931744 2212069 4381799 3520719 2050273 6063763 2013399 6983492 2360014 2185339 1890607 3634517 2649209 5338815 3339149 5038051 2731984 4593093 6268646 18059366 6521817 6833168 3509121 2897322 5407601 6499129 2530578 3820846 2731895 3477251 5966156 4030429 5646781 2443932 5195328 6009313 7696792 5176882 1968878 2800306 2133155 6253187 3070924 3873045 4617097 6087591 4590479 6186420 2080459 4823044 9660800 5172389 2882215 3300470 5106482 1735814 11272074 5385226 2520699 5363074 4481921 5003199 3615879 2-hydroxyfluorene sulfate 755548 167849 133974 873508 2692396 704335 2423458 1025512 1887281 282572 771118 119143 808844 1501043 1923588 834797 1021875 377806 423382 287718 142582 620254 394578 289604 1333931 947574 509217 226421 136724 289591 567648 624928 557330 203501 269065 853502 196683 1888697 740194 434074 445452 469745 2117338 475115 151195 1459333 579003 657108 795780 393938 1172367 522759 886282 625079 350146 488663 258532 789881 250188 344579 525591 3395659 641589 339118 551245 742192 757812 1629887 1267114 184926 550386 422864 1135879 220803 319823 370788 437177 1484576 490317 342068 3816142 362218 453722 1064310 233165 278020 519897 213491 1543928 673272 725764 281364 518665 438307 2722490 161413 872199 855631 714886 514020 168348 207796 587873 1312721 950878 3089487 603835 1485872 233904 399748 127608 1103785 1572665 1182719 1961179 704451 173435 196232 244235 156075 101427 497154 415396 233337 1071907 798832 522729 190319 280596 485308 859426 1035011 512375 191945 347964 801720 550817 1391070 986042 687156 421802 368687 1825012 547036 86355 1006117 159505 484758 1204631 234119 1565354 703073 563629 950265 415093 508685 156100 913774 240131 172590 1001823 3705203 378012 597769 312649 1385435 499801 2035138 748915 149917 442814 446091 849435 299085 274049 366603 334929 1017543 402710 628226 3172300 328788 277188 932993 174073 189182 995192 192582 1510916 554274 598814 532777 599677 309069 223751 700248 902707 510590 338266 2-hydroxynervonate 853795 479727 1094719 732005 1149661 676294 702983 484098 1229237 1279847 456174 419419 1408582 1027159 378893 339980 676925 1405553 1146771 1133363 1718482 612521 792777 1270132 802833 554727 728718 504789 1055781 513893 1242195 1020888 1582306 784240 668417 1038101 893572 1482810 1045481 1309994 421892 815748 964606 877158 752086 760125 1153227 674624 695917 1126039 191628 704357 636737 361069 388240 822414 1045812 1287411 1116367 713178 555186 1331188 454451 649233 1116368 1406338 803324 892071 620354 1449498 321598 744517 1096328 784535 633522 1173146 685839 1091746 1414060 704752 728920 1239410 1809365 1234928 1815649 990838 544030 1104234 359442 698135 1117058 878032 1077295 1110249 867560 735000 323315 954482 679674 1277781 690222 1573473 399997 548877 524869 421918 1710063 446052 787386 386834 682185 827333 686784 586712 630403 1142636 145006 574256 335026 1188648 536706 1851748 261331 667665 779144 913863 2283077 1286654 350804 994348 736551 703637 2186460 1242225 1132523 530979 800885 773182 407703 770587 1107439 415796 1777321 772532 1247063 508259 488276 510293 238380 391071 622897 865612 1335191 1169719 155807 919893 612103 1123355 126082 984814 678921 797418 793966 860637 1057498 618024 297011 1047411 379551 1224116 1318506 875442 682031 456320 706216 1220703 1718915 1034771 401228 906228 1044844 825479 594856 360452 717748 1185601 766005 1021991 615308 829254 166005 2-hydroxyoctanoate 2833993 2060622 1189333 3995051 2476442 3745872 1859143 9089600 1337438 604725 1294933 805905 2010620 2047656 2230108 1391165 778067 3300069 4082502 1214209 839345 1295328 854891 2028069 999071 866945 2799758 676798 3815671 2869395 6663599 4165829 628053 2607096 687159 3395455 2448500 391891 1086642 455746 396887 614027 428186 888681 889070 591408 3281972 1797295 895913 1115001 4567725 1430962 1319669 1608487 2463383 2611356 1121971 839003 1180039 2978896 888403 1341089 368351 793591 1291746 570350 1546901 1273731 1376618 1463485 568156 2914986 1114890 486881 679553 1439911 520552 1318413 2445568 537649 673373 646490 529532 3790832 930678 1284459 523827 535531 401839 1421472 2631551 439409 627779 1561302 12570711 2486291 919163 763441 2009151 672578 836408 808046 3097866 1317142 1929564 1559970 1118761 884128 1031776 1029034 955000 511612 1117653 828497 2621285 788038 903326 546625 1184439 938354 355293 518095 581940 556580 650744 2396432 878005 953622 1190090 1523372 2118228 994827 1050336 890840 669204 1274401 1608312 628104 1561207 727801 775714 927759 414341 1708761 394619 615003 1232519 3349834 557756 1377905 2426162 962485 456536 831964 2455139 5895663 706098 505610 842415 694414 696811 1356669 373863 800161 643713 565301 566107 665973 725380 1334910 618135 1822522 1760487 668633 1690073 1757559 528044 1244318 1226033 1336338 1181968 895928 408542 1100347 1156159 634542 735752 506398 459932 950365 525261 515988 972188 1982771 584776 671711 1154557 812012 1726319 2-hydroxypalmitate 28502084 26933278 21615684 35326528 24335906 26648692 22326060 33889152 23736312 44188504 26645552 27703954 27645926 42817668 47559508 25094508 30315700 24784666 40811088 32691462 38070336 44360760 39520452 38118272 32938928 28940636 22970554 26797100 33736392 28976450 30429848 32677936 32952974 36694924 32758666 31174354 26734988 59022196 32894766 33251472 56387208 31114392 30738116 33685816 38939912 34488812 24457678 34099996 23363214 26850102 27437972 16622388 26860424 32049260 24457226 27390598 31999222 38447580 35597648 37592068 27063752 22526198 22985080 27307040 53417972 32057212 23610652 30601718 41778140 27235770 39931544 40228888 36721816 31677768 23605778 24308354 42750972 35635832 28352624 33310572 32439806 34056412 30913782 23792654 29465406 27912346 40215464 34929888 34124020 22728672 28945338 30650858 34051332 25012396 28174192 18546996 38114600 39261708 33408810 34989736 38386868 42520012 30481854 32362780 28288314 32616204 33358900 38540920 28668978 29433278 42299092 26562568 41305188 23149876 33843696 30116502 34611268 38953716 26991214 39793276 31563560 27429576 28252838 43832848 17915946 35066864 28488552 31638006 21920332 25793468 30722892 51254592 51755196 39136456 24778254 26632526 31289540 35256904 35351188 33918732 35107884 23000538 29762188 27732610 28727162 24048300 95677808 32497472 47217708 27873380 35386052 20752712 29751840 28054942 20964880 25655580 20693476 31885444 40789724 31273176 20727020 37466324 28657230 24152506 34934544 32249820 27201626 28753878 32865386 30548190 29690538 22884390 29138836 25399126 30792496 28678396 35508672 26575094 32408070 23595192 20489036 29285276 24402024 31898560 22668984 22537270 30810152 26063042 32175690 23438304 43126764 31921738 32043288 26218642 23764790 48777320 30851072 29724848 22989130 2-hydroxystearate 8980290 6951409 7883840 6532015 9509867 7485418 7812312 8705084 4591703 12067351 9680571 9252044 9366471 12306315 10970601 5407448 11416807 7232241 14031231 13025480 9935411 14191422 12742566 8420992 13733033 10276039 8366076 7917318 10772914 8124827 9321503 6720556 8186365 12569673 9760619 9337987 10362763 13183053 9240074 8960978 14659491 5089478 7877780 9818023 12304188 12297103 7496873 9404899 9089458 1196955 3750675 5826537 6983861 9900080 5422890 8162965 10238211 9911134 10321471 9126564 9778839 7110444 6656233 9153458 16774920 7565677 6144562 6318829 11353027 6734964 12612826 9851451 11330886 9522054 7931868 7248594 10997236 11360978 7030324 9029059 8922473 9622144 9171841 8652282 8941786 7615796 11653072 10847190 12140711 4305052 5402908 10180931 11260321 8896447 10247232 6634264 9722839 11781300 11025715 10339094 8806606 13325330 8065255 9608203 8157866 10069834 7061376 9848189 9892977 6101112 7061764 6611013 7163140 6033457 11152747 9925703 6195301 11187293 5999872 7749334 9010286 8583093 9072169 11910880 6019758 9242374 6592235 9044393 8814702 6737303 8389145 10338360 15560676 9221601 6597568 7771254 9308774 9318793 9965355 8843768 9235520 5740938 7872437 7904606 10811962 10161383 16022260 11677116 14569435 6715870 9569113 6499961 7177398 6067183 4608997 9621199 7493790 10417489 10090276 7428612 4657174 8593989 7245632 9702358 7748810 7668117 7846460 4908618 8089354 10189382 7858976 7350583 7149637 7868030 9435469 8848429 7938180 3662852 8179270 7110648 6642423 10671559 5832980 9332657 7392565 5584918 8226588 6734894 10137396 11491684 10465685 11431709 9475475 6895114 7186709 11289461 12084349 7923281 6970797 2-methoxyacetaminophen glucuronide 403508 95504 1851202 47268 787751 1442277 105641 4047778 42223 2704264 78101 335361 431258 1972798 216054 500346 662668 437355 1070883 78644 1680928 3083467 24793 2437985 8295925 2120500 63292 438880 361639 6470914 373429 1199481 383355 52205 125796 286956 615158 272629 59227 457943 307247 388267 1133740 92652 2290819 388190 688531 40405 545783 3737325 2387230 98132 2021051 219011 60541 45614 445088 931136 952822 148379 424440 417622 191218 2-methoxyacetaminophen sulfate 1301355 339759 88735 6686633 526781 2041906 6659248 794821 14235984 120620 135316 17557040 684482 2513098 4179067 3525364 489001 1606707 1369535 1643729 1921895 68595 19553780 5930051 300220 4245489 21327350 2152212 159321 4408407 1533898 6693958 2206816 2865084 650775 118355 302562 48823 1005256 1913566 1374113 236878 1606707 374061 469764 3083142 1629810 5143293 3170451 246128 120180 2127428 16295731 6549256 586734 3631995 572654 393708 71602 1935956 1609803 3131431 185238 326152 4335294 1016379 2-methoxyresorcinol sulfate 31917 1033722 48456 40546 38142 1629549 186092 2203671 72606 36464 65636 59800 192000 545811 1060048 60002 51874 65712 30852 760983 554576 85453 77046 46034 359789 318866 1153727 61011 28815 51972 1475175 37492 267094 68816 63316 94321 121062 22723 33320 145605 63186 71059 39951 107496 185729 713970 1255646 197984 142036 34912 37811 671268 81430 76412 184667 74318 539248 78645 45972 141668 77916 26857 74394 31052 167188 460674 310475 47878 30162 25842 87745 2622083 30209 1381255 40257 1448679 315673 194692 840532 519085 33424 64859 2-methylcitrate/homocitrate 428259 226663 506203 371747 536611 755639 190721 937285 388541 364945 997485 322582 680318 705767 451734 417801 1116995 471989 886243 317269 519608 1081699 378168 674908 835404 1130053 589163 840240 712531 466077 541518 308564 475183 437183 831415 253771 766443 1075780 368763 461569 579326 596968 375759 527653 1101669 446137 299556 215285 457507 583016 975287 578938 742524 436279 258824 229858 302193 360879 237964 484423 310405 223475 423536 1202015 569882 458718 631089 204475 634608 566080 345116 614664 532621 508885 1316866 865538 941188 893702 780009 393039 928103 234360 215188 399303 724072 1173639 297536 426101 1534298 230054 770898 280575 426178 1174401 1062560 389831 1277646 579546 837480 435102 151743 729390 92511 392107 514890 308662 129042 538469 229803 992407 626942 184849 531233 1312826 256229 162244 133472 570699 538047 459324 140019 154547 258792 771038 595169 353717 554001 279827 687888 95851 282023 753849 115137 402685 387718 177402 178922 228380 281126 304084 152382 743215 393589 121667 307725 203397 380469 480161 235951 108085 679027 708830 1059196 279921 281339 1292328 212872 334088 144918 618929 381482 718319 525158 374365 381652 279154 546240 105302 317562 150638 192258 257461 145488 364630 304612 217036 328865 735370 205184 149939 240867 249679 314450 1070306 738834 770827 182860 1024629 1190443 981759 505947 229380 1171929 459127 361942 248357 570804 261733 270732 2-naphthol sulfate 2205868 406299 264172 3873031 12024255 2027669 2838011 8288353 6746788 585037 2038302 299194 2484929 4757395 6397560 1501799 5409417 1234688 1047979 1076823 421674 1195183 1040394 650120 627198 617584 2612832 797457 402014 304720 2018748 1739446 781378 417696 567176 846794 1043885 7903773 4568581 692694 763816 1053384 2063607 1221454 309293 3482922 1025995 1673896 3788172 796203 5368462 3066383 4800799 724720 2186239 2226587 547878 2656091 423663 466452 3155199 5150730 1031623 1212066 1221050 1475868 777992 1999106 1566730 195473 3909485 1355300 4813982 394703 858565 1188595 836627 3524887 1142999 734429 6726116 500948 690897 4398681 433470 522502 962030 621442 2760405 2275174 925212 273045 1368040 614422 7556519 486222 846318 2626860 637200 1319718 146750 229983 1268133 3590901 3083990 2096575 2433432 2363903 278966 1195077 857634 3163882 3121363 3098345 4032633 1366541 283027 259926 471454 221756 267787 529348 831132 402791 610771 620441 983273 187500 1101028 360091 2132979 3073853 450451 140434 982653 849702 929078 5327983 2654493 288489 333852 725865 614582 1164099 114224 2622084 325805 1202189 2620815 220536 3488753 2614175 1894572 2016160 2119297 1529165 413506 2150343 257971 322220 5372573 3226056 1071418 843064 442520 1915370 472856 1366591 778920 139457 650664 2036435 1992782 293842 407159 400175 479416 2275325 578155 1195627 2937125 447077 495482 3043605 328484 344402 2040653 674244 2652638 2006246 453971 1608637 1487551 912201 689291 503974 1145350 1355590 1274745 21-hydroxypregnenolone disulfate 35017 146673 155289 339787 132506 214693 303348 121957 579009 96809 59443 194528 517394 145888 72979 240583 334812 289841 155668 93054 119603 145141 535063 621644 23647 233383 78550 175916 41759 109807 131601 196868 297606 125004 108731 149704 100200 78208 88995 279857 285674 142681 23166 81353 450107 62937 118872 148339 134165 130350 177101 65671 55535 187190 28598 348465 283137 378433 40606 138152 69258 86886 283120 116121 454187 96200 124874 227650 85408 241726 172627 184266 377616 52643 134025 370995 492938 351986 650403 600208 436340 602362 1731771 966962 123532 83479 423625 2037108 1738941 78521 335957 216980 542050 1129555 1536118 1326713 575645 1491253 1667990 181555 172852 1274643 2175373 768942 1529559 3447432 2352690 390864 263689 227965 190150 96306 854774 4066748 279610 3264704 249805 1530934 369242 541149 417380 219001 1344028 169745 1471193 335323 56614 612302 96268 57705 731442 329442 180355 324290 1477564 1292230 2107869 197158 314641 389995 481648 1038982 57815 579834 122448 930725 1900768 1530899 474519 880980 231776 476207 778126 1473824 238976 25911 259737 184691 695512 180719 160795 135562 64962 66653 134079 3-(3-amino-3-carboxypropyl)uridine 29833 29561 52299 70069 41925 33822 45013 28245 30881 47866 29526 37366 55009 58898 32721 35330 40654 47231 32269 34002 38630 56773 71645 49335 31624 45122 58009 42797 49361 52426 33998 34540 54767 43770 38568 48740 23522 30429 26756 42627 49635 29847 44190 27284 38962 45083 66987 20191 32306 26958 41134 31071 31870 40034 40816 49850 33509 35987 24255 37181 35840 44027 49748 63154 47559 51750 43351 27253 42202 49954 46363 42009 32055 43952 36254 34826 54856 33733 49413 42108 59134 41424 34454 29433 27173 34381 40920 47927 52139 30554 43914 36608 35229 33088 35508 48978 57916 64345 31075 33827 44291 35782 49940 50151 98116 36854 41869 70307 30113 54226 63236 42686 56442 44203 23544 39526 32287 60888 37370 41953 58590 52675 50580 56081 26576 45996 53764 36470 38823 47621 41193 48152 64159 34534 31740 42364 44306 50787 48904 69070 36105 24778 34150 42004 41501 23774 49404 64862 45472 35012 46685 27049 60250 30588 44781 47412 39708 35743 49594 50151 29253 36941 29175 53657 38089 48505 54029 58434 24810 59296 31868 26483 29668 39478 43103 26145 46273 23117 42425 33623 35973 44339 51674 87223 54213 29289 3-(3-hydroxyphenyl)propionate 83238 270892 247847 511301 178659 267376 86063 250446 72261 1970214 374065 398423 341010 320526 3370524 273928 282725 694036 79901 949010 181742 314880 399386 520706 555403 222439 56518 219277 91369 459256 1310472 583008 86627 263570 340974 142260 242200 689870 70057 430177 259084 190083 414961 174173 722221 76523 233484 97404 716336 214836 562615 142415 191786 387193 869181 417870 376912 307912 195633 200399 96993 585741 278715 605169 51260 773580 41667 1447789 141926 77814 1051997 113623 97274 148483 570226 941123 332568 342365 758168 237400 326248 740517 789825 805930 44170 960355 573274 236003 571029 322035 249369 293935 384878 169304 53938 312634 175098 40759 1126356 47314 296684 270142 116438 131531 28244 278715 405951 437922 90631 222914 357379 3-(4-hydroxyphenyl)lactate 7905226 6962744 7103372 13473400 16318850 15220524 6011520 9809293 4712361 6821040 6492850 8790013 13891236 7435393 19525980 5921144 12256755 9874502 6280426 9234814 6213204 6679582 4831381 7345663 12729352 8484947 8014996 6566737 8620098 6160902 8210947 6804300 8101894 4677605 10880530 7098385 12276614 7276360 7074597 4246205 5211087 9068038 7587344 7393241 8353588 9632474 8284892 9754633 4876595 9278310 9616766 7405600 8971524 10520341 9932225 13633235 8784947 7379012 7733233 7766681 10641682 6428951 10246013 6903637 11564487 7253615 7260975 9527970 5816483 11493181 7289971 10312204 11411259 6732901 7991408 9377002 9626707 7205760 5806627 6520960 11410102 8278443 9579084 7567508 7243753 7430974 8813490 5179638 7414117 5426529 6893698 9068713 8423521 7230060 7017664 6684686 7742839 6665045 7765334 9661986 12521992 10278381 19446008 17166180 16250952 9411704 14958341 10641058 14533835 6239321 12329724 14786718 25502330 8709695 7119328 16013217 17879086 21921116 14611270 13346295 12811803 10784134 9182518 9706067 15594781 10175765 12760304 10803204 6550524 18177516 8644584 9462818 21216590 16113487 14730768 8839620 19459780 16017420 9697470 6580904 11597944 16244726 29715692 13465254 9094325 11416586 11295712 11399472 6860811 16265110 13029971 6951339 11338998 11537956 11558340 17097614 13059294 14068714 19601146 10739895 11893278 14365371 13615820 23548004 15716797 13048027 7632268 12517442 6894851 11189348 18807468 10989725 12247736 10897066 9550415 8734614 15279560 8853620 6829166 10979837 22245230 8395590 11889339 8299058 10274907 7621350 11420712 7117582 9753956 18364276 8160882 6761097 6270921 6537429 15954281 12749140 10270000 7788999 12681782 3-(methylthio)acetaminophen sulfate 253415 264125 181631 488850 189974 5483245 472193 459944 820885 30257852 56707 41910304 59754628 11275526 25019902 18013482 4805869 2497745 18040686 4689529 22239932 524525 7503172 7409287 8250052 97663 9206611 66982828 1572083 36184664 17189188 3925320 15166523 192919760 13222262 1848726 2476870 461098 4592196 53161416 6115843 12131803 10302482 944321 1722475 751868 15723891 2276714 30895466 1261883 12513726 2777486 133953 5311715 107174 1976646 82063 18528790 9757409 762870 7593628 57427 22934322 33048370 964656 4494864 8581159 608196 1709466 585951 29538518 702466 10358598 2845837 16573749 76333 162940 3-(N-acetyl-L-cystein-S-yl) acetaminophen 31990 27516 298537 39678 38098 3867043 1976933 1615712 2200825 3303366 5158730 112414 46075 803597 364917 973262 206771 1515799 684065 1442178 122535 1821157 1625948 336276 1372184 347883 109393 2912210 5310523 6633916 164736 457388 621297 2690491 461951 1076726 755941 92573 476214 95271 642134 53892 786336 224985 498055 183014 514716 69234 970439 52454 1753042 548256 131122 3217542 1080596 861088 296710 620298 203433 131587 1039087 233975 2214926 417859 382567 1485874 4516362 3-acetylphenol sulfate 63090 40463 31367 123974 227210 58179 55191 45647 54093 23410 36060 23065 100577 91980 72561 35316 40099 80503 58089 162705 44289 28331 42469 50988 21821 32235 76515 99081 43997 29577 64352 36783 40629 35630 32388 85000 35669 27755 68171 34381 43924 37973 95553 32509 66567 42742 54106 69243 92510 33192 59827 133580 43401 75737 48059 25470 66799 67872 47156 75453 35716 47060 182476 85751 73826 76510 41827 40864 97063 68662 65353 31162 37692 25192 29334 35815 44563 133532 88613 19370 50652 51463 62018 71279 32340 62780 70472 57761 58908 35722 15653 29792 59391 28324 44710 24595 138508 23981 102939 32348 32135 91697 47197 60574 44159 20484 29278 139914 48962 34009 81108 191463 29379 24469 133971 101709 111665 20468 115953 40067 62798 38255 115317 30413 37897 127515 132222 70297 22286 27711 96067 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP) 10230162 12887885 2879794 7442198 7517693 4323576 7711046 7010811 2190251 3763506 3247962 3686449 4148891 4274817 7125971 4280657 3506632 5630060 4936176 5586600 2826649 11449289 3787162 9031458 4978934 3292824 14343678 6033762 5556896 5535826 4594585 6577063 4414666 9362474 4144314 4651319 5333778 4108619 3263182 3765553 5036425 5538457 5516993 4324068 1822996 5010440 10836399 10706012 5501785 11439589 5607553 4416919 5043180 8850938 6251690 8095947 6259481 6458420 5169132 8527040 5244576 5599534 7070643 2381539 6086922 1327776 4379085 3027111 11968471 4089852 6723807 5030258 10280094 7187717 3000141 6182247 7209841 6324276 5102242 12213472 6572656 2860357 4441288 2659796 5678026 6164809 7760998 4641556 2207583 5149159 1767452 3418669 4617748 3956401 11425275 7534139 3990377 9486183 2353439 5602736 14564657 4687745 4403922 4478504 4847699 13285373 10139290 2708547 4562471 1457928 4556258 4054748 4068227 3805034 7685007 4469150 4011131 4824192 5380702 5664195 7480371 4000823 3764134 5217189 8611472 5972189 7006899 1990373 5510313 8620345 3197811 5127605 6050877 10346273 4930745 3354501 6356103 4651904 7539196 4403486 21128950 4599804 5149945 6515957 5274644 5985530 5036117 8317521 9209558 6876187 9480028 4420148 3804535 9265092 4267569 6412979 3548053 5930115 3888202 6067298 15307308 4317095 5016299 3563715 6705033 3247747 3723356 3244254 5001127 6428060 5331483 6330865 6259020 4023855 4807685 4004610 3626115 6134990 12028559 16134848 4594066 2761564 3724032 3725870 3853361 4201353 3400586 3909719 2498202 2522026 2953809 3564141 4261581 4818906 2071137 5979005 4815893 1847739 6092410 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) 17039924 33158534 17015334 6135827 15010247 1703384 9320464 11571604 2083714 7142741 10937350 10192867 7701931 4621087 6013747 9736298 11381339 4678740 11388437 7737574 1695246 48147468 5670539 10566306 2709704 1723593 26969098 2534293 11173187 7948377 7785214 25085960 15727602 67744064 10605410 4305828 5641698 19043428 4766360 11719089 12177974 1800046 3964932 10455531 10102613 14731066 38813684 29495488 31112348 34821348 6866015 6766584 6850185 20476020 20587698 17813450 6647127 22072166 19973972 14212641 37849888 13643448 18847040 2123205 1721456 1572305 8604979 5214028 21820680 8237209 2834734 16438715 5562057 1118672 23195072 8047631 11824092 49497676 33906680 29934204 6773354 2259944 11861623 6950752 9094411 20378972 3002272 40172880 1413078 3560691 2352940 4533808 5026794 1733309 22479134 6374778 9250566 52983132 2655654 14237324 76318704 17174090 4257235 11345399 11088074 21463336 9122918 2315428 7050380 4439891 15451869 3090670 11195442 23090444 8079392 10923072 2691055 6871792 11916980 20321002 5042656 15079500 6260639 26064804 3247918 19985032 33042026 10764210 11174302 4169819 7878087 27926978 10297709 50846192 11060565 6166725 20944474 31321636 18075428 11714611 26655934 5535257 5658271 7811669 32339712 17209828 14682321 27851410 28266824 33951328 10644885 32087750 2241557 19678452 21366010 28159026 3960388 7809364 10605780 18450142 50122036 15025435 7095398 3990651 34653472 1974246 6448732 15582714 12045028 13349615 3093054 4615033 15901755 734245 35391844 7537851 4205227 62089312 32176310 51941296 1505678 2470667 1900589 6100844 6753930 26040484 1918851 32271918 5963800 8753261 1019017 9938033 14500003 12132642 7688026 19006802 17223100 824213 11879509 3-hydroxy-2-ethylpropionate 428677 728994 355435 600989 645442 965383 295143 343652 268160 969016 1056295 590433 369109 1073181 3207894 1159253 619147 582614 726008 358154 1390098 436594 958420 888175 579621 893298 423020 436773 1191231 468774 968277 838952 524934 826829 442238 396203 597788 499909 964265 394054 2133083 387046 1550279 386629 769226 473108 584421 490443 468491 1383812 463701 402874 292220 890897 1050437 614896 630052 635725 990613 512756 1323765 424821 384600 1467488 1979499 347945 700745 1364913 821985 835866 1000904 314250 556487 718044 234463 342074 386590 1304605 848475 527010 1738001 1277571 986974 231486 585337 1029638 431983 632116 822863 654720 809722 1100277 542615 705730 1106940 325900 360121 1162764 2116008 442735 1547039 739836 1311466 657540 475335 593701 1512832 1269154 1498686 308862 278051 590641 1338284 430228 748012 625801 1850643 1170048 577884 573651 1466472 351053 825416 505913 722253 744075 1219514 1038562 505913 554712 451201 574986 1409704 1482794 294273 445166 1323564 704844 1408542 884017 2224320 678154 1519887 473246 599099 586911 1277376 551734 1047567 1492055 390207 376847 280394 440413 499369 595252 443866 1040323 1126141 1104533 1198752 763877 524434 362179 1407914 1391783 262865 754392 1147382 334173 1742278 268996 956612 529342 592664 381150 852872 552316 585113 484188 1134991 1134591 1572580 548874 383781 289303 280928 474454 2374025 411444 392361 519417 588608 487744 395460 2088973 1053758 599157 985209 3-hydroxydecanoate 859660 2483186 991837 1654453 1394339 3053329 802356 1169226 961796 2512954 4724349 1175417 1656432 2678812 5335592 672070 630107 2044181 1071956 1262536 4128620 1264343 1404511 3006970 1701574 1571720 2232790 1637932 1294584 2676812 1398373 1707168 1948191 1635690 1708946 1336102 1339399 4275423 2219050 1914847 2261610 1045095 1906993 979460 1719295 2728083 3466577 3700333 1255794 1642347 1837972 865847 1155743 1046790 1295808 1157675 1008102 13979532 2309953 4295703 1137965 1445815 683117 572006 763304 1727213 749141 1647411 6274302 1832364 5562959 1397327 2912311 3196057 325417 1409559 3814365 2936528 1473304 4201764 2161167 4644447 2263998 1241897 2562172 4032125 10363002 2657568 1347151 903381 1621945 4848065 5121588 716465 3708408 1026341 2073497 4631953 2064456 3036143 10688721 3730393 1267937 1804799 1684655 2039949 4232436 2001749 1797272 627021 782843 554654 5247110 642530 1847014 1923625 8017926 3329227 2095605 2437589 3436433 3287754 959053 1430794 549435 1830210 3073075 1113667 522266 8292658 1725149 1954037 2494690 8570116 2229754 1709164 3954501 2098588 2999615 1707973 2050869 1114538 2339493 1477272 1741655 2322682 1518700 1226768 3471739 2340272 824889 840113 3294262 911440 1122750 1813515 1194763 2892866 2742249 1433363 593279 2930771 663752 1742699 3150001 1310080 754733 1657379 4115831 3972055 2645805 714928 1452590 2002061 1694232 1760992 2736486 2603187 1753465 654750 2106528 4314513 4153062 1661441 1106456 2544833 7645065 3512552 1800074 803471 4339307 8901222 891110 1583084 689178 5559574 896141 2353591 885894 3-hydroxydodecanedioate 428754 210305 227003 194429 851327 367098 33290 693861 1968716 135128 133922 319591 5025572 184631 490730 293909 177335 686117 323171 814577 243516 221521 459270 166874 271422 224633 247782 176824 311019 69211 1785246 693370 674946 47564 196141 303494 348439 377729 2062471 533087 169685 81702 189337 103667 67524 8825926 400930 933749 124337 251885 319164 1310723 338978 1700453 199718 569596 869638 1983630 466455 128086 321256 553434 2054472 641906 435367 761092 2359421 4952286 406358 151950 170037 248955 2920492 1501535 267898 563382 142041 576457 360154 45938 12357583 1561667 130250 363477 266608 1019371 426469 1660839 5073008 95525 261885 6027607 639527 347187 1020361 1015072 702864 119222 234131 126987 351199 504410 5322039 405968 840235 1075143 5810250 211465 186393 468816 707506 725265 955802 360336 107189 661244 147449 365525 443812 562596 694256 122145 465675 310478 88062 445989 623206 1472059 215594 159716 261552 487918 1785007 431232 535956 1186450 2247631 1552841 122746 562211 418148 324803 496095 439139 181817 448144 716711 1434691 435344 1990105 175791 162571 718392 6415601 75019 311584 2544306 122506 584452 72102 3-hydroxyhexanoate 305247 903967 241588 375467 673528 2699350 232244 436540 180142 648820 1640977 265038 812534 638171 3125299 287678 451391 367194 412856 403225 913179 432911 632108 629020 485927 564895 757993 629086 792299 583706 370839 648462 661662 487144 233226 561379 321506 1197592 977181 548781 668973 241916 613622 315875 388810 599860 1132598 766032 394541 573803 815356 310267 295060 370132 552923 508634 673798 2879585 1185980 1020034 515348 395214 216421 209238 449206 622575 221517 409187 2426801 1014488 1003990 909783 715438 1150672 421922 533960 934148 707836 395477 1089189 495299 799400 730510 595372 892507 1414791 1486471 828811 590684 348678 454975 1187671 816939 415952 856887 517910 755765 877333 922810 1123904 3707670 1342673 770486 1215960 810513 631330 1280194 821486 2075575 359292 260570 152394 1746926 443635 953147 1086021 1666825 1757739 506718 912490 1250639 1114351 475141 558265 275764 860832 1781268 977408 373482 2971380 1092718 1070183 2672923 4511654 539157 598688 1120825 816638 2561777 1085487 1535121 320522 909699 473752 648328 563369 612310 485052 1142091 2323099 2403020 406576 830515 435575 790577 1616337 550630 590986 1713494 1035103 216277 993960 311222 480452 906782 976683 211635 526381 1087821 2006439 2292740 322050 492591 1024337 755545 1343845 1822422 914447 668703 246032 713121 1266448 1516143 922607 470412 806123 1765088 943387 1283824 591932 2184926 3234678 269947 606747 600527 4238290 378261 502135 274582 3-hydroxyhippurate 64439 97107 292698 212958 55167 230862 574079 182069 190524 207950 151687 300557 92584 2225840 447441 667693 504529 44551 778794 3253507 329112 1071264 678629 23984 146985 231225 2463845 286419 336239 700975 104660 101712 111691 1671793 508424 313509 1206090 174372 246529 500781 178538 2190991 77975 485416 70673 31225 98916 481030 86107 82212 199559 434796 1112944 430559 129742 53462 51326 370248 106418 319863 40828 766773 144954 36642 1197053 125186 63206 36875 145512 117472 93462 2204339 254092 479878 59242 146341 78631 153032 68866 1799661 179420 36659 19670 32085 1037750 50352 378402 865775 523559 22142 320307 352343 55453 34276 226517 124102 117351 501827 26786 194354 317899 104345 452446 1475920 78944 151065 68438 187807 41155 687696 122479 158565 66329 51614 419966 1135146 1533887 385721 613319 64221 1279888 175440 46512 323242 827793 63022 762506 60764 1256074 164011 179408 197786 574397 209325 1389649 738508 144452 22054 329173 453452 131526 156893 201360 69247 369354 156142 30523 1589093 92097 761730 237601 80269 334411 40849 105160 51190 53085 64285 22726 184718 150275 393202 131220 521817 179936 52013 246454 547718 3-hydroxylaurate 691168 2174753 1154965 655298 1028354 1943454 1430844 851341 1536562 2948954 2624453 1814446 529688 2346987 3226757 941782 424051 1275380 691556 494569 3895349 1020431 2008491 1911522 1111891 1077271 721746 1189952 933462 2112279 1424660 892270 1854500 1553163 1978313 1135565 640476 3387107 2039578 2515300 2776055 1121328 2346164 799280 1756875 3011843 3353605 4984499 410597 1907757 1069846 1023822 895135 1606053 1446285 911887 1500611 5370032 1536218 3252561 1898528 1514833 921649 1643310 674577 2505890 725948 2327777 2890686 937982 4544762 1473213 3454847 2664409 353649 1510224 2433211 2422316 1005565 3940321 1834211 3710064 1914139 1411370 1804024 2971527 5046776 2584872 1205956 549834 735681 3031210 3902786 492635 1683994 1030620 1148785 4852226 2055844 1974575 4674039 1946408 890446 1340907 1827314 1042261 2464587 2801548 1370368 542307 607812 1323623 4468629 856135 915980 2162954 5198475 2241114 1549685 1677142 2741540 2221827 729323 1086178 807351 1138882 2534264 1161712 457461 3402964 1790673 1355413 1918467 4064484 2641525 1107599 4072440 1204685 1617506 1762586 1238378 707999 1976487 1955335 1365147 1852556 1199285 692413 2025929 1707757 766707 975365 2506850 931306 1068780 1566630 844614 1715524 1913682 1344865 1547990 2827191 677999 1380669 2074263 898772 572756 1500771 3508057 1664001 2175079 610120 1181265 2030750 810491 1528875 1872141 1705329 1220793 546730 2007595 3355555 2201208 1699196 482063 3374777 3516856 3248745 1509459 409297 3121402 3807054 778083 1453250 564714 2604965 413951 2512545 808752 3-hydroxyoctanoate 1069474 2515270 703532 1831352 1511072 3713713 568136 1209749 543836 1207434 3232805 428143 2019204 1718128 3551385 538807 678204 1589385 948603 1353270 1901469 841208 1172863 1520068 2010252 1663168 2530442 1363019 990171 1824356 1002570 1962755 1370424 1385562 888346 1238669 1440358 2014571 1702596 913653 988862 565646 808033 993877 1083505 1083102 2122991 1385325 1675186 988769 2755014 1066110 1213676 768113 1177441 1503431 762663 6248552 2308526 2770039 623282 1439515 456966 447709 1113108 841506 992642 802890 4862097 2298765 2176657 1199900 1123553 2023837 461522 1690206 2107163 2241626 1403448 1994612 1042947 1347620 1493827 1223569 2469734 2110682 4042958 1916936 1225752 1055978 1454386 1921179 1626302 697785 3840607 1016595 2471438 2266773 1400181 1854871 5708700 3793756 1361859 1468868 1825430 1778242 2579860 1621069 1919946 616487 592635 559847 2894598 611122 1896867 1322315 2566937 2524045 1520609 1531320 1439496 1524456 694310 929511 427794 2033809 1693330 1049005 823004 4737200 1038082 1368241 2416129 8388858 1156097 1438652 2300806 1718717 3130998 1178647 2028110 1396625 1368915 1147952 1028695 1265386 902043 1609977 3019985 2234470 987197 1666225 1571845 1049924 905470 2319309 1317531 1791324 1700744 1507257 429071 2404840 590567 1484768 1702455 1435546 621342 779493 1799214 2763118 2127579 913275 1554279 1082010 1922119 1534750 2804414 2926174 1403100 520027 1306219 1522363 2236635 1297214 1302187 1327752 3185054 2663060 1448754 1047772 2488999 5402554 909813 1596867 710472 6337888 1143469 1038626 1159031 3-hydroxyoleate 2148890 1788503 1121153 1183562 2025825 2132054 1965267 8752907 5931040 3321305 5927863 8056084 1627235 703330 1108017 6970038 8351124 2796946 2327902 3078316 3394534 5480392 2888329 3319363 2963884 3959803 2200105 4581412 1954925 2401832 9200820 3938827 4956302 9560592 3314786 4205827 1168862 6984125 2728191 6838677 5225987 2984670 4545180 2041308 1816045 3666629 15808089 5070324 11205839 4774115 2918929 1979633 917458 2950026 3123071 846877 3879657 8168225 12234222 4167935 7191861 5572822 393638 439279 9697063 5644033 1273355 7311425 3212224 5028649 3448795 1995666 4708732 4429165 7705499 4841437 6373525 682977 7474544 9263104 1611390 1747191 1036745 3272996 13646655 8229898 5425210 6636323 9644063 1393192 2935296 2379072 3540883 4035339 4858598 4284838 1414977 993395 1839137 5974103 2415577 1612416 2985159 8081744 3675801 3043637 4045192 4628567 4507286 3448795 1351502 6543988 4265053 2995982 479513 4980390 3564393 3138788 5164104 7100182 4225682 3378798 4424802 3572103 3562512 4223170 3985814 1691732 5029863 2916929 2176801 5297606 2751647 5701433 4589413 1250991 1087357 3301368 2494188 1669825 2496266 1995328 4022360 4706409 1714251 660799 7867495 733117 3563670 6143037 3521271 2041888 3322288 5529809 3184775 4686867 1589286 1339847 4114055 1216579 3372484 3002433 2579324 3770537 1493037 3201311 4941110 4499333 3258247 4491210 3752117 8088302 3457746 730324 5900610 7022005 2344738 1075050 1815176 5692798 874594 3637332 1749405 3-hydroxypyridine sulfate 1946105 591809 1160978 2789018 5858398 1280145 520376 477576 601496 614664 593245 197476 1390918 284159 473442 1408363 828651 1088513 880287 1525935 1672010 127437 426457 386896 1945440 1377871 3603684 699649 593463 764666 831311 1376590 584389 369355 533824 419700 2148995 66817 552154 126372 747838 148235 478408 1316577 262149 254470 313535 239126 634288 143045 1243316 795391 1422932 2269826 1011171 1614851 1517358 363861 558293 637486 444649 584453 425514 562416 980462 224816 1233558 14681640 273801 2410452 157860 313737 1408664 310573 2624706 2702352 592796 638980 722219 111607 626360 159975 274715 175087 116022 78131 174912 198442 1240134 2210348 750872 84264 121138 734430 600840 1643039 573766 603155 392141 110803 189662 544687 1710714 2494472 1105217 1268175 80478 680173 185218 1903447 1784185 842808 46770 519601 854316 115347 188345 165020 377194 176022 65814 92649 181580 243037 805228 2926706 124094 51012 1108194 182732 1560289 375926 347084 28001 705911 10402532 255922 1200934 149743 96122 517603 3415141 191205 1074750 78774 205125 1659087 2546978 64373 569643 341149 1205405 383373 815123 720624 4689329 1096569 724859 936609 323848 1994948 1666753 883024 232522 202844 167288 784802 428710 230379 310678 272696 2078334 5678922 146021 743948 414716 180776 284704 63075 2887433 142223 145718 268314 213704 548684 69277 227106 414405 292664 2014863 202380 205634 3508733 3528868 365662 3342475 3624566 353031 2023647 3-indoxyl sulfate 69975424 53931660 29006516 76529112 42976436 51992276 35517024 78711152 37632240 16910442 28393328 109225472 12107526 25234196 38766532 46588848 50650920 37353080 31265754 25227268 51461336 19187982 8315820 55285516 56576496 84453136 66837144 40502600 31060460 73951656 25068162 68326488 22721972 56625436 31933680 86124528 32516940 30600938 57818272 73123424 42689696 66629376 54991900 72739672 66161808 16128339 60403564 51554748 37433948 71422024 15798823 22506858 107903096 58161344 84462072 46082412 36012312 48583456 51404220 54397096 22076186 76699880 64982676 71397048 41995572 25170648 53566596 60933636 123115112 74651144 50778036 80480400 44968528 47677340 47045308 42216828 79227472 45130436 31672252 67298480 71711616 53051280 90880176 46421948 59030780 56055936 53593340 106062264 28149596 50433872 18505940 39839476 6853763 6550930 31199232 87515968 49069220 43957368 12458183 68710056 41876816 49391240 52963800 70679648 44238064 76787448 32387940 49249916 61765068 49350136 68958560 34972312 6401435 57529344 86042448 41398148 65535244 48645892 52465296 33516796 27862212 61455440 27967882 72771792 57385996 152886624 41243564 36426696 96106264 18174190 49210544 53679640 106773080 44544164 22955592 47209912 22978196 21242454 70317584 48315236 60833136 95760896 33051714 20163586 36244380 28079762 38173980 75032760 29741752 46158144 78140960 46648052 71077760 31389164 45028412 51096708 20801788 62159504 44107924 13061682 31142224 58745620 51108652 92824432 52231972 41543256 48799812 50017596 81957768 41694928 96944496 102857192 54755128 68742960 90121256 17895806 49139832 81274144 40498984 79657504 17139470 54941088 55552512 47560648 57614136 73269760 18982604 45206568 31778650 38397168 49897532 34276792 83958304 21228750 24010538 67505112 106124808 47698940 89070456 3-methoxycatechol sulfate (1) 463471 785980 813387 1343027 2489805 467372 216491 4937617 3671538 54005 50626 1071688 25535744 1108910 111060 936024 83993 439944 1404278 956422 1577583 8098196 10656376 61516 616537 1266977 2783337 395826 15397011 9927737 7254392 525573 193858 485076 713924 9176946 215709 8377429 2119154 6955498 1820735 2529669 200987 1038422 258702 262726 170642 51354 84306 1536258 6631980 551294 11938253 1199417 996552 344721 47164 8651981 1429228 2739198 103917 194923 1109773 1997390 373356 512158 2932555 316443 341446 425460 165903 156902 539017 911404 1067342 325424 417446 653147 1102091 203711 44691 441752 323469 81850 371890 127334 738794 3468978 218861 9427509 14763369 17006142 1043459 915293 543870 24190 247542 483012 479111 558922 157667 5606243 2001472 1789335 1849692 88890 181284 221460 80558 74296 162050 70413 44057 58122 111744 75642 29731 201712 114857 521274 5019367 239647 307131 631310 111824 550327 332515 512816 188836 318721 41569 1349756 64185 2023256 98882 399022 2140398 4559445 161009 142999 416094 487427 1820535 126077 210406 174076 1729650 2756806 600947 1163282 23489980 107835 94677 252683 109916 37185 753740 757343 78820 61598 262174 18482 38494 1002719 40197 1546805 251986 57805 1171351 40716 112434 636121 8088570 722992 36606 6107094 345061 576355 146546 61405 133399 56521 1242706 3-methoxytyramine sulfate 69694 68836 51178 66342 165049 27509 24626 109786 33331 63387 62889 79687 45311 78271 74451 44361 90118 53102 61795 46137 79566 44176 68805 94192 86067 188221 47743 61785 56540 35175 89140 122058 73794 72536 96826 47488 87282 65575 53271 73075 58534 24505 55842 66262 59956 51953 73005 56594 66428 186218 62607 87173 33600 52351 39860 35758 27752 39678 59841 50013 64179 45182 40058 37251 79845 38137 65443 73642 67286 31886 72621 25134 55868 89880 85957 72282 21826 83861 50385 65014 74626 72586 80846 57989 85716 63153 35333 60230 52527 39359 105305 66071 58888 60899 54517 23387 94945 69120 49423 57278 101777 143773 53386 57828 66812 80351 151103 41625 68894 51495 95786 36558 101051 48119 70624 43084 45109 70168 63300 34621 99316 43855 80804 162156 76534 53362 54770 88049 73791 59969 75179 50638 55443 70933 83168 56750 93985 69745 37599 84477 36438 35411 43206 67820 59975 56447 73230 63955 62353 59714 79570 30752 64247 66889 56801 90579 52043 28203 55092 68663 47095 51446 30980 49123 86846 111654 39358 78697 45365 85720 58168 79688 72584 65497 66033 133583 74747 73846 71954 111255 94821 37468 3-methyl catechol sulfate (1) 2870104 419276 933321 4039825 8790277 834376 1045379 2836162 784676 359140 507561 177280 1562160 513866 276012 720901 1679180 2092702 1626396 3428761 1446027 230565 571994 633165 894792 617012 1108658 2112780 1067757 776447 1450040 657327 1384251 515759 1333038 764595 1720519 981124 1743392 398759 374783 685302 576145 2434757 232320 977297 627782 599372 1351060 707022 3183542 1824700 738671 1131266 6173318 2335364 419523 543395 644173 770217 1095423 735556 1153248 1793915 424050 541812 4876386 2279356 1166063 178603 3912525 1184917 612898 1070596 2101187 2466425 491476 1189877 1298130 764463 562399 392180 1729561 392394 1006592 286852 474318 380774 6739837 664557 437150 207086 749294 951494 1267727 846916 351840 363651 187896 245021 291294 1750132 2622595 908507 845808 266436 884333 202895 1396338 1329029 752479 428913 561192 1258815 135852 540985 400750 1071855 455730 512628 70512 511286 325952 546857 1567577 114137 245833 1549215 267644 657377 948229 1769329 347310 1160165 1554594 1495314 960006 290497 59091 800804 1290720 373662 1421802 228549 494717 790356 3460823 498926 495398 389691 1221285 135502 1377636 1197626 3560593 289774 1815722 578167 621554 14613430 3935679 6143552 869419 513423 854823 674366 596085 656587 290416 539749 3684612 2233649 391334 451367 181721 1773457 240396 956131 7370463 164304 194680 463476 777889 872461 945010 745605 534080 196447 1921376 379945 158960 2599003 2793318 966850 400823 491019 611836 4231149 3-methyl-2-oxobutyrate 12146132 18023990 12582585 16747741 17873004 27220596 11718836 15081870 8696550 15018317 18992560 15713124 14949538 18660616 54419852 12255879 18301658 9039725 16863284 13500965 19107286 15682018 12442302 13364060 14565620 15839918 13590127 9596712 15379690 9279783 10164824 18010978 9940708 12291883 13702929 10767258 15436620 12143004 8129615 16912002 16056111 12428937 13498015 13061526 18321820 16462764 10233297 15236789 12330742 18409126 12872859 12552432 10711444 15246283 13274451 12910730 17754320 16373001 12628030 13700248 11447590 8434436 15983745 10340061 12905184 10897470 10187142 16377877 14683425 23782102 17431870 10520735 14821892 13036992 14873159 13707156 16461613 10833699 18598314 16648576 18576368 18902498 13142062 10568857 14534814 15523759 12339784 14256828 31885568 11881883 11968834 14699655 15229613 16331898 13847874 9341226 14359778 12792214 15973826 22824244 46703056 32865482 26776152 25455958 28042286 20461720 23091712 33312212 49792240 11218136 15812253 24389932 41451972 28534246 11759580 37474152 34104104 50762268 24851810 37799400 45444188 24589696 20881518 29821558 22017282 13357679 42770180 26471932 7048169 29711988 16209362 33837968 40185828 25950782 16892928 18021834 25392154 18012118 24690820 26965828 28430064 19136224 39911476 22690190 22736230 28535700 27590000 16947356 24396100 29398200 39501188 9401553 39426724 16551376 9528610 15824336 18032130 14051492 32644696 24061146 14611236 35385040 21729732 23277682 28340882 34868008 16870440 27994196 15875862 26377326 49356936 12206402 11015566 27960144 27217844 23563872 38159756 16307509 26401038 11655704 24427774 19897110 18837658 30342322 11287142 26055568 17466144 11617976 24895648 21214864 34843248 7927403 11137313 12044803 19239726 26588144 16145100 16650560 9635525 3-methyl-2-oxovalerate 42184840 44009512 36150692 54703084 45929252 79086680 25755412 47014544 28611632 37913076 46908744 32299656 32576844 45049240 157196880 34893212 57755400 24882616 45442200 45896576 37398884 37325432 31934936 32890960 42094320 47746292 45268080 26574500 40089312 27726936 29388100 39948500 19911616 34349472 29144008 38002632 47341428 31667496 19650156 42042496 34148404 33148024 36477192 36386764 41101720 49660400 21640322 41589584 29238044 65213344 44195268 34927544 53271696 38757580 57128876 38430280 40603944 36614248 33111772 26873468 39381952 21170418 36180336 20977508 40120296 18221156 34024740 41532760 34439700 60872156 51788916 31060782 38488216 32071048 55024936 39706608 41696284 36544868 56276392 40401296 48066040 44061392 33370742 36295968 34749700 37975912 33708480 35668320 109275520 47948404 34727156 43874868 37320424 46455444 34201564 31430848 40795668 37078012 43803992 49192368 78516232 86927920 69703680 35272420 54951468 35463892 23165004 39497624 78131592 13907504 21263414 32611410 44625388 21368848 41468904 37074992 59051460 75761600 23337624 58034028 85339152 33405474 37177500 30737652 34733664 36626256 54257208 27399142 14478801 35646728 23096790 36807732 56368392 44095184 26569098 33216688 44208328 34671768 62634720 29557502 71901024 37379176 43580208 31974722 23190352 71879848 30042760 37026640 20720688 54347148 38489144 31418806 36778584 32328038 25657604 37559476 35882356 37132004 89936888 26505382 31212918 91121024 31317552 27632460 28231340 51240168 32684986 43976528 21113262 25868472 54317524 33260582 34081580 43934728 43394356 42563748 43652828 36140204 47548444 37135028 59191160 37893944 15894008 73296224 29200282 41166936 27732082 26330452 32683910 50036644 48023352 36780336 28875416 28039688 32370344 69756680 40560588 31473740 21819466 3-phenylpropionate (hydrocinnamate) 1177122 1853673 674660 2201684 1892433 1741418 749057 1349567 798474 2614468 1498807 416502 365716 1717548 2855888 1134334 1637222 438817 4214276 3220064 333977 1994095 2895182 721843 2064906 2422278 3528968 761821 2766690 173116 2670027 3372433 1543662 2661731 1555485 1732624 1506345 267010 1966315 1063065 1701938 1274887 2558325 1050542 3994970 2424652 841049 1107319 3609438 2858976 286308 1100626 2965473 4042421 2157427 1938400 2033412 912839 2022406 1696929 6658190 1539425 1999583 1708886 3818700 861563 2467816 4020832 4498509 2027909 373485 2893352 2355118 1420620 524677 2151754 3513856 2062460 2760796 2571957 3150337 2371114 4000451 1178709 2827412 852354 749571 3135489 342182 2716871 2202126 2689162 1564483 3309607 300923 2488203 1942035 1676886 2718253 1725680 933671 1373324 2146181 1990261 1780944 2228710 3301824 1400223 2914546 1324035 731772 3376952 110031 2034120 2493312 1696987 2586789 2792740 1045448 2586518 4590999 3156264 3697502 3009688 3313186 4988511 2659748 732000 2429417 2098346 1261218 3353282 836234 4293115 1031088 2420801 251487 2167026 1259137 1255006 5304549 897824 227880 1533115 1037506 1171792 702197 570480 1356029 1418137 1379947 4434294 3517412 4251015 2194593 2455378 513515 2056630 3197394 4174524 2996237 2962559 3502066 1265710 3628911 502006 1494645 2124395 898866 3703598 1806935 1977151 2416916 4609296 2751619 2949863 1904899 1275963 3352313 132065 1858530 5926076 3005695 2001652 2065823 802793 2198412 4848092 1541170 1101162 1360557 6339252 2121565 952185 9023530 4715112 3032330 4770261 3b-hydroxy-5-cholenoic acid 75803 48616 52043 70781 34222 77260 37524 116477 47840 45323 127423 48486 32608 85862 78096 46042 131883 91123 83889 37289 42530 46514 104184 276365 113210 40615 117511 28837 65501 60395 74894 62972 244224 29646 92967 86405 65951 116858 75272 48923 48283 79646 185641 120984 78942 35410 122660 43007 71041 74495 54427 58601 77583 31099 51378 72587 125139 107321 39120 133671 32919 92284 59697 39743 84060 53912 38852 125061 49579 56003 79711 76736 81056 126763 55164 51593 86851 171821 58214 45298 23572 53194 52448 88136 62369 44607 102440 109120 44418 69792 97202 80756 109984 47129 41713 78764 44334 67878 65678 75011 115162 109265 264628 113537 69570 47343 147421 71142 76890 75210 49663 103216 110522 105429 45971 77512 52234 37115 84190 92570 56046 152270 124765 68321 175029 66626 123145 41005 42735 78721 98691 39592 111009 221247 31333 36077 26291 41156 26047 42651 269542 52048 68988 61965 72833 32528 52742 73385 58906 3beta,7alpha-dihydroxy-5-cholestenoate 1241955 949372 977198 1164402 2113896 1150668 1214419 1111835 2107398 778736 1355873 1132703 1367673 1170770 1361839 574289 677185 1606309 1075841 1645965 3301848 1021258 1122952 1266973 1137281 1289772 844575 1034284 1994419 1241879 1860069 2729972 566400 1010186 1222830 1761953 2119958 2271384 1375704 890583 1299493 686679 1002304 1909440 774165 927864 1569479 1455129 1155451 1295606 1413006 1089966 1542381 1216204 905572 1238061 1271090 1394609 1438226 1019141 997458 577620 792871 942952 2053566 616634 1389681 956343 1305927 2140889 1866003 1320733 1157931 1616064 1139297 1008779 1349501 1268350 1119597 1234341 810123 2203384 1469694 1777455 1201068 1665386 989372 1221480 1845497 717167 1794971 2315127 2104282 1050130 939873 777426 1160616 1422281 975941 1706170 1284591 1375070 1399793 3306172 1199930 1552224 1902144 5061987 1094281 786610 1227526 790913 2745042 1353382 806747 978528 1940163 2103046 823408 1291471 3478167 1261054 1087611 1305380 731482 1173532 1280226 1836629 1083334 1493728 1578120 5398958 663358 2033447 1191127 1368056 2985234 1806579 1094031 1539555 1463751 981689 1568484 1696759 1240765 864362 743667 1013711 835746 1153383 2438947 1040396 4652058 610784 725308 666567 1418836 1116749 1628842 1141266 596904 1033201 1326620 2293921 7585833 1576500 1042443 930319 1277549 3138499 2912872 972151 1071812 1386839 2122625 1835729 1104028 893628 1090989 856271 531087 1875898 1237045 1226904 1111735 711747 1108228 1264698 2467752 1282878 2415495 1033987 1268786 639620 951171 1435533 724549 1279790 1112141 3beta-hydroxy-5-cholestenoate 2233629 1744759 1192585 2384636 1379067 1723001 1787831 1908025 1494518 2298694 2070459 1354122 1661797 2240000 2628146 727559 851154 2517063 2978291 2464249 3233724 2445072 1843131 1463593 2190930 1494858 1204674 1296281 3321718 2401280 2259348 1763544 927611 1376117 1310401 2392344 2020242 3940494 2038975 1471527 3311079 1074348 2011011 1941853 1930980 2265950 1802307 3048226 645949 1839821 1580875 1267305 782040 2331213 1492466 2539011 1859918 2625659 2931244 2064481 1734696 1122529 1290659 1148468 3529807 749912 1720804 1928692 2206144 1851144 3556522 1362336 2072428 2682427 987693 1340875 2408398 1989952 1933904 2275174 1611009 2129073 2221685 2111666 1382909 2761235 1927763 1530844 1651817 1297407 1511282 3083887 4081868 2320292 2261541 1008950 1347223 3274454 2131206 3035466 2070267 2428558 1605808 1982842 1546406 1498539 2354466 1992178 1802772 701364 1548677 1222651 3134727 1200033 1442681 1517051 3578030 3364552 957314 2219827 2211182 2198625 1885199 1108076 1045069 1286145 1951309 2091953 1350510 2032067 1878017 1970821 776612 2621059 1021263 1719747 1504549 2549354 1351268 1990901 1585417 634492 2062125 1547078 1251410 1984049 414826 1801353 953220 1996452 1412610 864316 1735988 354107 705251 795032 1465999 1294595 2042440 1277781 1032281 1450495 1580390 2008412 3081819 2161731 1151976 1869383 1627320 2798711 3038739 1131545 1225250 2256769 1453830 2087307 1541277 1179877 1620323 1189503 1400481 2046001 2465648 1393008 1162778 1484639 2055112 1743060 1734289 1328577 2153372 1674496 1509467 885222 796977 1322130 988249 1637150 1144791 4-acetamidobutanoate 336741 250483 428739 428831 646951 412998 409523 356778 348403 382138 496167 452986 361404 578491 407764 394969 461494 430804 350811 337050 303311 412682 319177 366192 286175 279732 427118 408640 389454 345946 392620 565378 995727 383873 424688 383077 425137 422923 786976 320476 306953 462786 395792 293061 232161 458256 604483 273732 414790 357183 529276 388505 387141 386818 383295 403854 294762 450017 666218 394207 356299 464963 423658 297526 443213 268778 539266 359775 318049 263199 534988 430361 306920 326069 408269 405071 602645 429601 228080 339401 437779 301177 361673 283198 530051 408810 537270 295184 353841 354247 350344 256103 276405 425475 400590 424275 397875 333121 354150 254419 350235 364323 331143 691561 331868 448361 320544 396126 431208 524401 410859 322661 576286 439498 284957 212226 292344 294836 588213 403437 467266 266339 393032 400977 273511 678023 492975 313834 526554 478764 273179 580732 1020118 377083 524005 518165 366101 289810 592026 285692 485543 313484 352381 400043 357909 337057 754189 458895 497905 271921 536786 395946 285193 273245 253159 540972 297717 465227 400680 259089 350143 317969 241508 242174 257030 227110 629660 197491 325155 349560 516618 358990 304678 298883 357505 339929 385454 463756 295620 396122 455676 220629 306978 291445 487890 463798 530065 450306 519896 451885 193819 599132 621867 476185 325498 359016 671519 348942 312435 4-acetamidophenol 236597 62259668 1535494 24480 109443 871926 267635 45283 157362592 202394032 16214383 256098256 34587188 414725024 1106816 1265856 361362464 7370976 66074692 335405280 108911288 3633898 9346401 133166080 18532810 119618872 2399020 422115744 432308448 1256751 100633312 412224384 23622554 1856947 380550432 80826208 192263712 12673163 292068736 7791773 3000835 2598390 2151836 184849472 116979 79377632 389626 8846375 1096782 128105568 6799947 50979776 142693104 133777952 264519504 456821984 22169126 2999245 213639328 335967040 240881872 10220551 105414872 8635604 3544782 972163 90499304 67811696 28712300 5196962 2675360 607121536 40508424 149528 2974488 4-acetamidophenylglucuronide 187543 8011955 164966 3456590 122299 753004 272012 41120424 13600279 11450187 91824056 28821470 109011104 1154226 585938 69859368 11327539 18494122 32091056 41594332 2081643 9065617 40106712 12031553 48821036 3435831 100063344 81384272 1878152 115536544 57375492 16345424 1853845 51480952 31176024 76920888 5900361 61158056 5721721 3150187 1631380 5975442 21067588 24702292 365271 12585977 1083329 4183341 6141109 12612918 16822766 6132195 124933256 44609252 19852448 2591537 34325404 89730928 61801 53903756 6557144 53894112 4639707 3442325 758913 39385644 26688344 11717370 6724424 2703290 84719984 26423268 434265 4-acetaminophen sulfate 836635 59223020 776059 7123341 1023396 11833 28137 3454927 856079 59288 101772400 114128272 25657592 172889616 98772872 262991920 8668195 3926260 206815584 36152932 92248488 169960640 103969448 9744023 37878404 113533184 43565432 152726960 13890586 306167168 211964096 33434 7300066 233097280 100742240 38429180 4577791 277506976 89335912 136737136 38783092 291177536 17454470 6938293 13274040 14268488 121830520 53071636 3198296 29493124 5450724 55180820 18357424 43655576 50095 89599360 92231464 246836368 233322624 37327632 16591215 161479712 149367040 385080 204236512 24222714 125875880 18285662 12030571 3650868 76306 141541920 85878792 48097780 11208916 6228170 344428512 44468 110019944 1171978 10250623 4-acetylphenol sulfate 665589 39454 76713 987137 2280420 234681 37453 196985 90079 90330 74691 236444 64166 33969 120584 101806 131735 121492 151152 36038 91028 31687 35933 78524 73308 130739 19391 46051 168037 98712 140675 44584 125921 137347 18863 244717 38016 269222 20454 31912 84063 56828 48158 158411 81977 75762 41821 311646 184712 29973 33281 79807 78359 95378 58538 83288 74875 23651 160913 99379 53043 87270 26328 54902 121220 55590 180602 123520 183221 24865 81160 44414 65885 80075 38534 34309 30447 74252 149720 81530 99022 118396 214619 92842 51962 104136 42228 30956 66943 203079 91665 413079 943410 154285 92953 321945 222488 22172 104926 125704 48519 24602 22758 30053 68586 53618 20989 25456 331182 69883 86688 68652 138856 108287 90417 54340 106002 18312 34901 442330 334200 24780 55751 94492 112676 21451 33866 53879 345043 167060 166182 461446 369208 144945 176805 184614 500216 146332 52529 36771 38538 81977 91306 22985 397087 211164 44847 74518 94972 33455 24972 192466 45978 40759 59509 41760 39480 98731 110157 638777 34594 55456 1037590 79376 25437 90359 198962 32768 121036 4-allylphenol sulfate 569190 4090452 1196305 732566 1726477 558185 2011112 262191 1012121 839708 745606 694313 999461 1718014 1917495 690000 1650050 978246 1262101 30190660 105498 368482 213545 129086 2277795 1858734 767051 802725 1011554 541775 2913943 545440 1868446 563016 8385199 40371920 614421 1246891 944703 334782 2383694 644590 1401481 656326 465185 56084228 1120755 17503680 483944 5385848 927325 764260 182568 798352 920969 3958915 534044 66828 216680 689064 8028022 1900010 470083 1427925 38395924 267408 1930077 6853655 2143315 733673 34709884 6627453 39084040 59829036 29787442 16088455 40113616 5547324 13084028 1411674 45169744 24113252 777672 963023 621447 2675103 512787 4036682 6370682 1398004 1086931 320830 406694 8892105 1112318 961780 1992447 789442 1134448 43489 335318 6216561 473863 721447 22895050 20872724 87001 4951518 560922 3490573 769579 822334 12410244 1049277 412983 434369 317995 586165 957779 87647088 234993 142386 386370 150263 373007 11910492 303300 671468 1086705 499601 101297 243226 1216516 106446 424522 425362 725308 417647 571303 574965 225179 485858 629485 4194484 835399 168484 3388346 233399 258025 714980 474384 82126 561890 925938 1130322 198332 552958 100778 1854188 16473681 1073165 237609 980003 1547732 126773 296473 1063001 2761829 1058477 56078 976009 702328 440353 283969 295859 363406 553977 573112 343806 1285856 2407404 893095 390234 439615 599901 479146 3725253 630708 1210317 1500215 2038423 1462426 736689 639911 527695 1506731 733716 1575252 4-ethylphenylsulfate 1999333 4732463 5322782 2964007 4540567 873596 1842122 1465756 3473859 7498846 3546339 590966 2259577 2035949 3002294 905999 1394626 2236882 4129346 1503995 787736 3050968 1515819 529017 11752967 6568462 669838 707968 1568842 696902 1611718 4351930 11198939 2683684 631011 1429800 5851402 1660306 3245551 2624053 5242699 1543068 1523043 3076653 1980883 1621037 2845698 11766584 699390 1285573 1562654 1459919 2097243 1552843 3340049 6767990 1447687 235880 1973193 10426812 1136674 5734802 4979393 2316538 1990809 1451174 7898554 1935279 5631423 2383887 2550229 2083711 8027523 5788163 1925964 1030296 3489591 3387607 5173824 1325727 3366598 2668658 6509416 2203858 2686632 2508262 1630841 3478288 2992035 16541104 2492185 232452 3414091 4180454 3080648 3764103 900928 1674278 12126564 478903 959990 2214447 2717669 1310770 6027039 2548387 3269344 833758 1501290 1309862 2610715 6351608 1077636 1837168 1146701 853826 1186560 4003874 1081660 2731356 497087 1390891 2011067 1104675 1208809 1560718 360781 314507 1815061 638297 899174 3154629 5273370 118342 5045586 1352051 1445206 1504460 386940 1129176 914607 1680696 1101970 6818852 235699 1008170 1683003 4079605 496832 751048 646781 1176509 707353 4379666 1117193 968058 2930053 1847463 661887 12963387 4563996 4977540 2730037 1942969 1112673 1467891 460140 975263 3720756 1161864 433648 6810984 4092332 1406411 1754443 1999735 954170 574055 7953427 11348172 2870031 3298670 3147398 1995197 2141825 1523510 1373334 748304 2177360 5499232 956472 306742 11713793 2802169 1593107 1827370 3216822 2957311 3729168 4-hydroxycoumarin 92580 194730 45556 65684 165234 40371 660343 163413 83528 24955 49898 38975 165094 110405 269283 79892 33395 90071 31753 45162 364081 92459 131436 75615 194050 224595 141801 36466 90203 40670 163053 124409 53204 386688 136285 165764 42047 57771 59988 71527 187758 121739 61686 69180 27680 388392 38128 349471 41004 272794 19720 112081 23396 33653 359217 23845 699737 1802497 170524 1087950 19078 54220 1065819 61940 60893 77598 85420 111712 156230 41520 256257 268961 74197 409172 52775 394931 43575 90126 63269 28438 49375 94885 152916 237928 278258 230401 316277 307084 67912 336926 284277 220945 108345 472852 46845 169302 27852 85429 784383 43943 42985 36883 49376 174625 725818 89361 386624 1046563 46549 157016 587139 51869 749759 69267 170968 87513 412216 505198 194679 488580 634318 36548 167326 61141 483178 381504 232673 326920 63918 25346 602621 361107 119310 352419 51465 90952 504900 57634 112450 938730 111692 1096872 192707 4-hydroxyhippurate 1112842 21116306 513346 1179181 2814627 3314276 1048670 857624 1189895 459438 477997 514350 1112350 5980185 203980 1285799 1622424 1552140 1312266 2885856 1056933 1679115 1297249 660565 330607 668174 1041875 838348 334992 2158942 1381472 435018 863199 256484 797740 2329082 1891631 553291 546425 1816377 355307 1241306 412245 4312870 355037 527741 1725761 451951 339556 683180 942093 498141 560365 817002 955497 678847 496477 383917 423657 593653 509388 507406 610753 379387 745997 1761716 583288 1308876 287413 475982 351192 756297 544943 453816 948156 567718 741813 477544 482134 311482 284447 138911 328474 549133 512394 1056303 549727 416094 3124139 349421 725637 607986 2343686 1602128 2138793 1273483 553980 242954 348124 282409 329432 283898 1549089 38030692 1546531 1193886 7015952 360779 550330 1172734 758905 894106 1695561 1777287 1501309 22953356 482056 582069 496546 267110 352650 187414 14947423 445672 6358814 2770412 26387544 31277280 2663556 1898131 961302 232579 1035465 544649 1351464 871011 398849 1107427 6411961 301017 262783 1659015 1601998 6332006 244677 1265873 767333 2500392 318440 30326304 456788 1425041 1320447 657266 1098280 1484231 2557392 853896 560189 24701294 786704 845221 22783592 30931014 428045 52116404 5210169 658911 224566 26035948 1145464 2004940 1082216 34455308 753879 2492673 205804 456035 308873 898950 224725 143208 4371063 306846 473871 408116 508745 940282 3297198 979536 365359 458137 1315198 499400 373813 360745 1692625 542788 3082915 4-hydroxyphenylacetate 389647 389043 434715 605714 819851 413646 681125 167265 424245 114322 911625 234833 260971 251694 325360 1378971 402273 668467 405749 164863 178181 763526 316663 843536 561812 174168 466002 178398 191941 2493639 1271523 654650 289221 798419 2009018 552978 143817 586319 322873 775762 188475 1024998 289489 1493339 736608 274451 273012 1462946 961505 825823 710215 382228 291672 152405 246181 169189 656323 524682 112436 147861 285437 507106 1000463 143919 150892 90406 298394 444519 1079814 266113 195845 804394 122430 221711 214493 245892 489248 224759 132304 137814 375900 245455 368534 201379 939224 493916 187732 913448 406061 262050 348956 142044 271598 594281 370345 450342 380098 713736 241348 201212 255279 211251 744979 240523 3469252 510138 394783 605162 171923 318144 5720245 421576 142210 358037 467021 1564254 248079 361169 332966 934314 110907 108953 720292 576904 439720 872308 287655 277834 205153 539066 410341 1233055 1457556 320791 224733 677827 142646 238941 218313 391730 250824 281646 266996 349626 223516 770647 91247 473217 569061 472867 268782 422371 396422 377471 305402 243587 670831 178310 651908 881873 1124527 326960 114269 226293 1294835 108509 356218 1537210 258412 259205 4-hydroxyphenylacetylglutamine 44226 118867 76037 91648 144731 193622 49709 59866 145314 82674 102946 117823 19068 24397 62638 76126 145161 155848 80524 93721 42389 256565 93574 51843 45535 146336 174593 292028 184291 71550 106752 63406 91449 152255 174983 154864 110928 43635 66883 20016 81539 80578 82420 69466 214672 69848 52988 92359 187302 41987 69220 132014 29280 30790 74217 15895 34220 34323 38624 59383 27932 98196 50793 171410 41142 345518 58077 60753 258153 46817 10547 97922 152167 201326 97292 66773 59349 31637 92184 199842 25162 83775 160592 93669 70513 27539 32741 56268 83695 63536 84128 38220 51700 103757 34692 33487 45843 51409 39749 64306 91679 28712 147346 38312 93191 348371 76594 54429 4-hydroxyphenylpyruvate 369448 261215 555269 408803 1168922 578254 239474 1101328 312448 367728 395371 371211 702481 349763 1211249 632250 687867 505624 374873 795185 740747 511016 327945 407296 591690 461480 476893 517731 358125 509958 599462 269576 125649 454384 489155 526035 977336 309199 807043 405184 174428 521111 379305 278165 302436 311585 407776 277005 405182 376815 687655 458443 649554 577515 1316607 430945 354895 267333 287862 373009 250524 241008 477974 461113 547292 251987 435059 351823 449511 1072623 295123 405064 680243 328943 484012 498354 466300 258984 223474 329871 803750 584598 412114 790353 861407 511224 763320 661245 791828 302714 399728 263074 359882 313037 581978 412869 438425 239307 277624 326170 720307 459760 558448 1074078 1348413 412790 391300 608371 155405 544878 695438 528719 2948222 779973 508503 747291 592835 1078169 1032934 1158706 569546 219480 309367 516449 707091 690996 349043 307088 487110 372526 710515 579869 1091287 1564998 818318 1124159 1331255 900744 502745 231526 664350 1349238 758064 1215541 463983 793580 312648 687904 522803 309417 383829 500215 745518 544507 475266 813174 624096 382349 673922 602063 691668 1003414 299393 875514 402381 563822 621201 945545 598606 196702 186915 661665 498405 538623 395313 414659 733955 259665 235432 841831 708654 111428 874536 818973 497766 121844 510780 557597 799517 843485 409655 699409 524408 1113219 503301 862080 574648 377255 4-methyl-2-oxopentanoate 54134428 63196408 47655008 67870320 53000044 106468992 34372020 69867680 44817300 59326004 73916160 45816168 66785108 67235016 235090112 51245196 104581928 67415128 64105052 92567400 50829648 53037300 55753308 51499932 60736876 65014556 62350680 59174432 54107996 36789904 37844620 57424504 30359718 39512636 33479310 46215984 55178364 42106568 53620196 54602176 46970428 52427728 55271424 54081140 49055916 68869296 31533626 73616352 29765422 95935936 49912840 32382582 70903336 54496020 81843128 58590884 66837168 44391004 45419744 33764076 63394724 39272860 50833228 59547652 99544864 23317712 48998476 57405600 41701760 96684616 68186608 71113232 49266152 39452868 62693420 54021364 51639836 44173272 69038136 54641924 64107532 57264508 41947156 45826832 47637080 42499616 45643544 48185600 189064080 53838996 50272888 61494248 50536172 71260928 55226572 39773184 51122776 50090340 53304712 91811760 149363584 154383072 94064240 115670336 112760968 72696280 65618528 133053576 217785056 56251584 117414840 80697600 142518576 100242464 58489424 143561600 136236096 213213504 74922408 150140080 192298272 89824784 74052896 126935064 92511856 48007104 153092704 97700416 64883536 91297456 61139168 106975688 164882112 103185872 66133968 47115660 98703376 80901160 102296104 105250432 122608264 68507472 132775144 83445384 66158908 122206096 60097576 52713028 62937888 128854976 130340472 28164252 176309744 55188856 43345656 67408664 77981488 67542352 146825312 84829616 53194724 150476928 98054688 111513704 87834688 156455040 60328192 121779704 54808424 70561832 199696256 80844120 63926824 125020464 97086936 108155784 133098720 61043872 110581984 51715992 129277536 73496672 46814264 142112544 42864928 79823072 50056684 39204520 131477032 74237928 131287240 30111258 78004040 34406160 63924348 90744592 54331904 38112164 93180432 4-methylcatechol sulfate 7246895 4742979 10444066 12784557 3957237 15354618 35819388 3592579 16985530 11973102 47570052 3133652 584481 1706977 91121312 1734333 105071712 6278964 9666363 9397124 18158708 987382 1403876 3213317 9532992 2570850 1341997 54062464 5277624 187568 68913952 1773989 35810940 20931582 61174116 51731964 25283022 57786 48581124 17498774 13192118 24341636 28579996 78735432 23635094 52753656 4297466 633748 8012156 1349037 1863085 1772179 24896710 67123080 7237872 5739676 73068176 1820237 5018338 19345426 39016068 12483322 22354704 2589355 14272130 3263052 8668667 7291713 89881424 8328471 2192019 50172684 4764226 17522334 22602338 31590940 18954472 7048049 13883585 38869560 24210330 3988682 16861016 1371034 3205470 7014874 8522688 17980440 425208 23245532 16632941 44165120 2822165 3376089 14530906 40674436 31852100 10463093 2457519 9027354 5434581 10302665 12029542 943936 5940295 42866608 808136 10549614 10950133 20121790 543570 11699927 120192 2524301 1201311 11623961 6846314 22275248 43904644 22902294 88512568 3600890 4362085 13996438 14437801 43210956 5160467 4751294 7581659 55983 14362229 2024820 15545379 16104392 91491120 488061 58976084 1998478 5797493 4711593 11754265 10999382 18278478 408943 11913265 15754291 20525366 1458813 22286638 3289137 370212 2611615 2603290 24189600 11154733 6761334 7793422 47838224 6280433 37462896 17113242 3010878 10530587 26407320 8584388 6651479 5225777 12786640 24856940 12880313 29221450 40464600 9244890 577498 3614428 11719891 7684193 5891996 22736886 38644112 1735664 7979354 7996865 683102 11201108 17184594 250081 15438645 419662 4342254 8338963 15511976 10949863 23313712 11815895 9971179 7843732 16115495 10785043 4-methylguaiacol sulfate 165285 35660 60066 213915 218675 299592 209757 90745 123616 95278 625003 22285 99481 2375234 14847 2419963 122164 106747 144191 295942 31024 13408 634185 66040 646703 35452 693209 97102 1088940 1450544 315542 1192689 209623 165509 60078 160325 1385664 197191 801874 72297 105589 71506 219743 1184442 273637 96263 777412 156078 238561 175619 91024 33926 212036 47260 62805 98836 1402233 113808 44806 1872679 43698 211951 702449 554119 179686 135240 65137 396963 276361 30205 339965 51053 67439 86053 58175 210143 396971 120972 578763 28069 368865 839712 210144 107066 86622 58126 97958 169803 56909 87004 410172 140662 169329 708649 28783 154282 25561 64454 70443 92832 96540 315258 2304122 524585 2980714 29283 33101 208793 229187 2347837 66393 20608 168376 217553 94525 300113 307258 3547297 1160299 21641 64778 51889 252661 148632 227068 22274 142994 149275 510992 238642 996853 31109 61471 45308 419128 389674 168757 159797 1142519 78891 284822 218458 123518 238653 178293 167019 93373 196556 401120 231337 951745 805465 168101 218441 155032 120744 689086 660240 22679 35188 111582 343135 248543 47134 215588 105108 74415 169138 300847 242350 275388 139906 354968 278961 4-vinylguaiacol sulfate 489850 71768 161864 1505031 2217120 301882 120658 872579 220189 25612 72423 154221 81763 379492 419728 418192 425407 553494 116291 463733 43711 163691 561638 277388 1100463 38396 100094 156185 154502 161346 91625 134879 80018 233047 452451 501091 16792 263818 76454 89302 313205 221640 185749 184697 203397 30745 66434 114754 54172 53794 96530 171133 254194 147577 242832 51928 35594 352491 378126 104523 53457 43184 127206 245032 397956 417248 300846 51611 36286 95451 24533 203279 193663 678327 1177533 57471 66035 1297914 677506 138814 60605 86492 228305 25550 116200 71397 20491 733717 22533 1342383 47723 28420 75824 190766 20920 242735 27817 91194 104132 625199 389431 113135 43324 113068 842200 24034 249731 28961 254531 2143597 267557 191023 43374 54073 249770 476033 69559 77899 39075 137353 246035 38289 23314 37438 437612 559213 21995 241980 457619 68867 359691 24863 227787 93860 51875 60447 374954 948958 537286 150591 255024 528640 85640 158413 4-vinylphenol sulfate 46092332 13072020 34753060 66226604 117339424 16804908 13190058 41554548 58638772 47645200 32793294 10570577 64379136 21169582 15084721 32236008 26452572 26437764 29128340 48414888 17183934 36103440 19878654 12051013 75670720 48769164 8341461 5762250 15071102 9656164 11274620 23376648 96317144 6230686 3944136 33336418 79751712 54171088 48773948 92168256 26251416 9291358 7049481 58588072 10678238 29485984 47458724 89017216 6081067 10766227 153969264 14013323 15161585 10923968 20398004 63236208 8118562 4127953 8804322 6145956 6493419 45942732 19090648 17858504 13027320 15261742 32280568 32248796 58753428 13410452 62264192 12427339 76415776 27876448 11140966 10291413 65097472 21718874 29843228 11402451 23991320 12492004 36157120 17345398 20132860 15207902 59525688 22803430 74460544 76661448 26929130 1360058 61562412 43182360 88809048 17968896 5992949 6288677 48350232 6144590 2939609 10391843 20146960 25835466 102094184 69082664 27402388 2547380 9625509 8653104 83513648 51258668 9420612 5181815 13615342 4683804 10784586 24728116 13079600 15713251 5039694 2964243 19080840 2762433 9105815 14566943 8628975 5902824 52656104 16886322 7882360 27284436 21837816 1001301 26579304 17423864 9072716 55217144 3398605 4615207 4999527 58133456 4582371 92561144 4261026 8670269 5226704 47991596 2890855 7345153 10346772 11429297 1585182 42666168 9016822 32975128 41934800 19625870 3588644 11734626 45101952 40051652 11541624 23723958 8440140 13259432 6482323 14172445 48310048 5389368 4639748 102925000 56346880 9027285 30240122 16139435 5344648 4727834 13733730 35617944 26983234 21119392 31295446 31038022 20487536 10339513 29934098 35493080 38489460 107676560 8146090 4771509 128496688 10546900 13899863 84676584 71426248 25702564 9311351 5,6-dihydrothymine 208645 223881 261402 308793 155094 304927 293988 287286 195955 427127 530957 377867 499547 349462 579459 316680 349482 136080 235458 224876 392074 329687 238191 552500 408409 452341 399110 331708 426360 269568 512434 287687 438736 180625 316550 303697 320984 412627 192675 343764 361661 340381 407640 382131 324727 716785 515674 491556 327670 438575 477817 403684 321757 458198 298901 348857 362598 365299 318586 471949 483292 241814 486604 208826 352220 361170 249579 775127 414622 337486 203141 298468 264471 178836 184422 312813 589365 327245 337638 276761 282872 266732 440740 393394 310193 276828 280366 286763 518761 261791 261359 256287 425070 596916 388391 176181 290924 484883 362851 175435 393963 386656 213548 315896 267065 140130 393841 405042 570283 372517 258066 162520 660142 486902 206242 453253 450559 541218 424005 397016 540306 274524 543272 470741 272234 455895 546463 319848 212899 305398 350409 440438 513440 288562 450537 462030 285707 186923 164301 230089 445760 365250 579588 412914 199369 437439 446359 658974 342266 228539 672591 318898 339371 204087 280665 368733 340918 471623 392789 272127 361542 561964 162895 351725 412355 189378 302954 597016 271431 290005 192559 296377 285526 308762 244044 371310 313648 315233 317742 420380 268833 317120 307667 397298 230772 249684 469197 389265 322744 371061 354408 548030 294570 268666 406748 834073 444225 289183 394115 5,6-dihydrouracil 181367 108540 177527 156402 171585 142961 221810 182105 162762 218388 215944 240495 93131 196016 110325 205194 159208 338161 133859 240871 192300 283884 133520 175779 268944 141548 180523 159901 177984 152989 93526 276459 218132 223472 168809 172308 168455 166692 161336 201105 271729 315530 108212 176695 160181 225647 244365 194753 224675 184880 183256 112988 236325 143835 98641 194293 266172 183660 230114 171346 115797 143524 205275 225710 200467 144583 182645 175696 162120 178564 119809 217164 216116 128757 191670 125437 191511 202294 245885 265582 278354 212922 112975 162358 312443 157926 92378 59921 219403 184935 130495 307525 147726 102783 254098 179662 151542 199185 206648 71765 171399 210968 170483 218849 191902 316066 129638 238406 209885 161563 227361 300037 180944 269312 168691 172351 193203 175378 173406 430296 146705 157133 184539 94266 126192 209681 183238 162030 141992 128758 182211 102779 155805 167543 229611 200003 148300 147401 154388 340146 159764 141106 206564 190431 193634 191801 169692 286767 280896 211462 136787 236380 234975 401467 164887 5,6-dihydrouridine 4444481 2479458 2957403 5553800 5725921 3658750 2985689 2611574 2449744 2881627 3159827 4128880 3240465 4453405 3099062 2581790 4281446 2025313 4587552 2883880 3605693 5015166 2781344 4922912 4607948 5058670 6887760 4166124 4201638 3339432 3505030 4918623 5687102 2373237 3489984 4132158 3832981 3162707 5034036 2345605 4253713 3339921 2874199 4756978 2393946 2316001 3251816 3779994 3366344 3408785 3050499 3749204 3408024 3498515 3065397 2817399 3199322 3606292 3743066 4432936 3906933 3617090 4154353 3774797 4265539 2258116 3222618 4179630 3425324 2948529 3417221 2793242 3027376 3469952 2431825 2710941 5738496 4145633 2760429 3797674 3139044 4016889 3013407 3409487 4398688 4307466 3230452 4819460 3705237 2667763 2615809 2729365 3205205 3584307 4217638 3433466 3944853 3238141 3701934 4651878 2799482 3235291 4435631 4727991 2793752 3784758 3428978 3033578 2675976 3483053 4711609 2407982 7863112 2121911 3401118 3384891 2612563 5171475 4293060 4074010 4202292 4794375 3475600 4684361 3480358 6498435 4672327 2945589 4007553 4536212 2872664 4080086 4905952 2782777 3097832 4370375 2649665 2590565 4353258 3548809 3722680 3566638 4484091 4212514 2845647 2690524 3682985 4267751 3214811 3021179 3486178 4047074 3405768 3120833 3480945 3325527 3560298 3710855 3766801 3788306 3382760 3608473 3928724 3492693 4242112 2677506 2749428 4406750 2855089 3993626 3076513 2814583 2407359 2495211 3424821 2571361 4553375 3627689 3268782 3793159 4605005 3205805 3207246 3004370 3756187 3612153 3074989 4757582 3459991 5206427 2322897 4615909 2740685 3859337 3798005 4202802 5695399 3595773 4883045 5-dodecenoate (12:1n7) 5420978 2788302 3316299 1468480 6071405 2671792 7471150 2214962 17641302 14122053 5466902 2384005 15459078 41205296 1651285 2116925 4007282 2898986 3165636 11460692 6853013 8793152 10244014 1634570 5169014 3472661 6032337 4623084 2353406 6551686 3534269 8310706 4790512 5749324 26740126 4714324 9780627 12907129 4267085 11613862 4167120 5358865 14965124 12574280 11215603 2641010 5454602 1581445 1571470 4471398 2385468 3851797 24905698 6245466 26634132 13824624 4454379 2710485 2155919 5555053 6127391 396823 11636218 15208307 3977594 12787958 9507473 5887539 8375782 116313 12247841 5774813 14955870 5967692 24953648 7229859 7807831 13933366 15059929 41145940 13590952 6583039 2068507 5113088 17224166 14408816 1633159 6551686 2705799 1192952 7788816 4352698 27160514 39483776 9797597 2937632 3061292 5780351 1220747 29717650 5639405 7700371 2121481 3704002 2644297 48082960 4102668 5981436 26023442 37761096 9348279 4664369 10716859 13637170 38035500 7710682 16020837 951727 3188994 13689309 3482834 407320 17633784 7306487 16761682 6687525 24118204 18087726 6231078 14155782 10260654 14005612 9512413 9791354 1118864 16291349 17393704 8546736 13230184 3985839 1268515 11705355 9574710 3722682 1185646 7811343 2022008 1113395 2647552 1082853 6009852 10437698 7119261 2289094 8296890 1007955 2892774 45969776 3899183 895213 7836663 12968236 12320314 11232775 1925642 1937879 6757380 3327655 7266014 14307653 2468587 10336683 2190352 6593745 18714888 11900276 10593483 1276806 17622578 39952980 6670775 11337664 968583 17526252 27166978 2544808 2553669 10476361 888366 17457064 2044746 5-hydroxyhexanoate 280439 446934 448992 661830 720484 652151 610242 315116 515987 268604 504614 773507 484419 848758 916844 474213 424757 298291 473912 632809 456335 542218 272796 643521 429883 507334 505042 612356 400767 373733 393141 1266331 751617 464096 358294 487517 946231 713578 626517 278998 285309 812129 413014 384545 585816 359883 873613 762095 780374 1068748 751519 539571 322428 459474 179188 508061 592037 1038276 738959 733952 848238 588858 617091 527132 762841 427448 620306 541768 519859 535054 690108 455019 409152 284312 335676 342659 427254 520391 506198 452821 214694 284411 165071 203817 267585 325378 181797 199379 793700 968951 465787 772701 492154 444040 312301 476537 790935 833189 447391 499276 971252 180928 218666 96587 236851 336734 258395 268563 225478 166998 122916 527803 261887 167720 338176 446089 202331 326181 140956 246953 122386 236024 222978 166794 202878 185643 219252 350294 215367 197289 346794 481780 253769 105467 257616 169147 813181 260508 295055 300018 224734 189129 121945 213677 257973 189288 202863 243666 414472 243102 180263 150297 173953 170494 214833 453838 367667 336734 166952 203364 209665 269941 269718 206589 199659 262257 310439 350585 189752 202308 178778 166144 138756 254980 239861 266856 180899 246580 188222 305543 194847 141564 493313 175699 250195 509441 212358 682687 215686 121450 154405 524102 342159 144227 210854 5-hydroxyindole sulfate 98348 129938 81319 25595 65181 37777 83405 32966 110723 31425 58512 118421 48924 106735 123828 49963 22634 124923 39582 150513 33572 65568 61447 65181 169033 49625 76414 51570 76882 144492 78904 87301 28949 66153 43975 54788 140494 83225 90650 53370 44240 59319 249137 108320 86779 49947 49398 94905 73478 72271 148646 44908 145899 99512 104735 30708 84117 109788 49107 71692 58572 103044 80737 40937 36781 60755 123391 206543 46026 57298 126808 98572 146770 242153 23484 41884 26365 56550 105637 158670 167805 112829 87815 101542 125668 120589 100745 30885 79947 158207 21909 28329 30086 43277 90538 73236 143604 60866 34871 44310 42847 138204 67144 131892 224684 67271 72887 155481 77350 95640 58000 123035 108167 53430 105313 67664 140769 20199 142696 111683 49453 25731 35313 66443 169947 166968 193047 36852 106892 5-hydroxyindoleacetate 86829 80876 47260 99884 91405 88839 61104 59913 48687 37847 56736 51265 50213 61192 106315 31467 43795 31710 48656 54564 62192 45861 58063 76601 68342 33839 24892 53362 47656 104163 73402 65260 61516 49010 25071 106956 64929 66748 63224 40359 54271 104551 45971 79402 98612 35105 43363 64075 60267 57303 69712 81987 25979 58800 68630 65053 42514 21110 21612 63360 33747 65312 43119 31964 57075 57377 72650 82094 35383 57163 40228 92983 108341 74777 78193 32800 90680 86800 68339 90267 39261 39212 44702 67936 47690 98575 111499 34080 76722 70716 50217 56744 67834 44940 48944 34317 257835 50280 83435 99766 34752 47880 22903 121687 57982 57857 60540 86738 69113 52838 27498 23999 54236 85071 56656 65383 37052 40302 88376 44555 75479 67678 61663 82563 34934 59696 68355 93308 50090 55544 60931 54740 57702 38548 47694 25103 50914 32242 31321 33475 87872 39415 43144 43360 55472 63244 42294 106003 87832 173087 43179 47614 37124 30649 81670 63690 63274 47193 50665 29952 39838 32478 34669 33797 5-methyluridine (ribothymidine) 1061214 660666 967969 1007117 1107821 1230180 870986 905130 740893 846161 931161 894605 894717 1001959 1005829 849343 733980 865059 978298 1104991 1127703 925237 750851 963700 1073563 1017770 927223 860529 1059525 778048 1029486 1054817 754900 748978 1098941 909440 975212 848425 770716 872448 1057276 838853 909748 845866 637173 983341 873586 1103998 628219 1021147 942845 1012946 1109343 949403 1127631 1024137 973060 925627 959045 931359 906089 736771 965460 649338 1022448 461460 1048437 1055912 873558 931037 826700 914286 1000346 742010 851085 853388 859898 817349 938833 871263 1010006 681864 714937 845177 963714 933467 916528 847112 1060440 1129253 856571 679478 1054072 863097 653108 715029 999841 925325 988328 600611 925978 1269269 793668 602438 1037414 662604 531190 512579 475456 808341 922226 542988 816073 358538 1030506 514387 621719 740964 662254 1115241 1081221 1018953 708589 840694 627475 896406 461665 524980 980911 876546 901617 971893 477902 556701 655054 948200 819562 483749 455261 455210 823277 1054725 624226 803037 750202 1249456 738735 1262122 732892 613845 858751 730342 537118 827286 586569 804035 566526 590490 580584 511423 975270 724668 281622 523989 552395 476979 552032 898041 725699 663306 432350 690078 565416 447830 936118 456902 634516 668877 650455 747746 374838 749625 403424 764497 736398 571742 757026 855806 481505 978669 540292 867432 592431 617048 1035183 686106 1050349 726888 850359 5-oxoproline 44274392 35817576 33130462 56794244 37964712 34520940 42333492 37888256 32901224 28290734 25061842 25978768 36369316 33014598 21272376 27258072 39912300 27585886 32372682 39561932 23019514 24980284 26138958 44450936 30993634 29742490 38308728 42501176 27694826 23212388 26208808 40461708 31807482 33129014 32755310 39267776 39015872 38414824 24120702 27973626 35826224 27728628 31277700 23611990 33987120 40555940 39335392 48777244 30767760 42101288 39061568 45471616 37888636 39243080 25932276 34982052 42593620 33172066 46017348 36950764 48547880 30061974 30529512 22585022 35392912 19181152 29868512 42457784 36417144 24448918 26267042 38638868 29267158 21854732 34642128 33654064 38998124 40443912 41222752 27601346 25577506 31054892 26318752 34855544 26294358 31631710 28680796 21787934 21219452 49070352 36466052 21205600 28435146 43361924 24047074 33989908 49579336 45067712 47695708 25987248 24059442 34481692 53242092 33015642 22461986 26156764 46879528 38267836 57776752 19984906 21365534 59035676 31632994 22195154 59981516 36240964 46925436 64531744 20501024 20269650 57039664 59662468 48431024 51370108 47537996 41565988 66092136 58656840 24704626 35198412 18888174 24783474 28471268 19150274 28251962 23419702 17282346 18596612 20290126 22638540 37901740 21575914 40112144 17910478 23863138 32072448 31667028 32087706 23820850 58899816 35875664 34111300 45137916 15708926 51204336 31714026 32620038 66410968 22683566 23661400 28832482 19363258 39072632 57126476 40867772 42078732 31111398 32642808 20183710 40731960 44365284 54010328 47639096 46412696 70039688 47458920 36608696 34144124 51982272 65906680 32558814 24057706 31057316 33713324 25199462 45674132 32992100 23021176 15290201 37752696 31659264 19512484 66948752 22711890 30734060 23187304 19327424 19378752 46063436 5alpha-pregnan-3beta,20alpha-diol disulfate 150438 301872 213601 1242372 492535 168446 625990 486280 415551 248485 725608 94954 175245 386256 489427 500931 154135 364251 230785 384667 554983 319000 1008318 950355 794318 677644 708871 621269 140101 315585 749113 867056 2519103 320023 295701 675934 187588 283902 127059 470702 663108 448948 555059 624292 735799 1257999 469293 760025 759661 304891 583503 310782 959499 874989 491084 756034 614559 347953 1042149 651231 300507 382409 299904 299767 540335 2174389 321691 336580 508430 783901 213555 459409 387766 514597 129130 372673 649976 1371017 1740702 914182 347392 498978 529864 787916 286961 1352251 459712 449313 315358 352947 959773 537719 229962 490136 454943 963547 1793181 648503 198532 554473 376527 632776 2039328 700161 887630 1671380 810285 3394054 1140414 773903 338034 172362 2071073 992228 698974 955608 336316 1864253 1276463 1579970 2629430 674489 2578574 4445054 314326 906890 3216420 1478147 198374 1165880 1510800 5239707 10500381 240308 432514 617062 2177107 386541 868100 1144925 4001472 351653 3214094 682117 1295414 782808 3993508 410060 3922400 616272 7109768 5934037 587319 247036 1195411 422481 463578 2151625 1062088 284871 2849492 1514090 1264933 1525222 15413989 619205 440783 546356 616084 1022365 175649 1081661 940288 286506 899630 7544765 4386156 3196700 579483 785657 1169241 651739 3238112 161745 1838817 2031150 310273 1433504 564481 899624 693351 489506 654207 1153865 1142774 294014 383266 339666 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) 91539 82707 134292 74193 109959 84701 124672 141805 93926 60792 90649 135243 95838 118992 118164 118070 81818 90936 83473 39134 74522 70475 66076 119706 72508 31243 41037 99651 53660 164387 151480 48329 136986 259303 47782 103651 83445 59199 92581 79556 89470 116887 105198 31848 120681 87408 47227 56026 139757 171487 67501 55534 66293 95396 103436 44017 72509 203421 287443 120179 50084 112198 58615 69301 43732 271789 38762 99783 61059 67249 83577 43119 45336 78762 47623 89935 197213 120269 489552 123316 101725 161916 206480 175545 550374 739467 1159626 1319862 51634 61404 173084 657674 191128 36701 510382 368882 729822 510057 400125 1222014 298564 980746 1652520 168814 134803 1345087 920162 47823 253954 475057 884257 3321220 402873 56566 301537 76249 206731 352507 1514522 1738968 82477 650226 341263 273198 44458 160085 48963 1627556 2335682 81586 35585 136706 54668 32726 421759 516990 58495 210334 329915 360446 579609 6845035 111204 82878 110500 257877 402251 23858 208895 498234 114457 250595 2035556 1013502 544609 30865 212603 591308 279560 759929 57669 630910 1000108 44936 288361 45608 434550 87603 36251 96885 186998 174171 38809 6-bromotryptophan 489042 232194 485071 211202 352794 276462 299948 447753 249301 348831 294394 330867 580778 251352 455901 270273 398276 288663 329661 469418 422539 560185 306969 266070 425105 589631 530924 273853 380084 415677 298450 293037 242248 484780 467906 336013 460047 404434 363342 557845 540653 457759 284439 658938 252642 443897 332787 730515 193550 346586 634207 577000 242709 383852 466466 358598 402060 121316 133694 206377 420990 293687 336942 320919 492156 135799 692509 650123 387722 261357 215855 277901 224109 106696 337837 667172 436668 266546 583654 331580 246104 128797 53060 207668 177918 99870 288458 336039 176866 211547 136063 229163 441383 532490 265783 331816 462066 437057 126030 86720 343421 230743 193415 266967 262865 70722 221319 138363 523795 379604 303107 80779 313241 239841 195444 72476 236824 138093 301913 140860 207904 186536 267818 213627 385968 176061 290939 291090 48241 125520 225068 275218 54347 359134 399736 169876 257678 117694 210637 236891 202016 224646 430539 160880 386089 298107 747814 322091 286091 410910 398279 338004 453583 301701 155652 216573 138416 131448 415104 331312 160609 203123 159067 243677 506656 501176 339888 173793 81932 184351 219711 126023 383065 170889 192316 375503 403568 495423 124387 161552 89491 217491 125605 146555 327848 362422 473878 63840 163528 255737 456082 473284 161392 172113 191354 416286 6-hydroxyindole sulfate 1381618 1328928 499620 2018200 833594 1335145 557185 1662546 521846 431761 663096 2090373 224204 519988 787708 739254 1003534 655985 707867 602129 920592 325006 71694 1289872 1231445 2029576 1898681 905334 720951 1364258 559501 1641421 551850 1066132 622315 1775675 400670 659595 1339530 1502559 1027649 1013775 1406286 1577855 1757825 295762 1364037 1220254 764429 1310140 274215 386498 1728501 911522 1716963 664522 655252 1253697 1407778 1202224 313246 1556585 1537102 1227909 988646 478184 944788 1231427 3257781 1726759 975244 1860882 1071575 900383 830963 725838 2121157 1114431 497499 1650230 1662223 1069893 1748994 983357 1460563 1280773 1250174 2602076 646540 1121646 340886 835305 174356 125493 542037 1720390 1008876 917156 228023 1594313 1129851 1009700 1304266 1587607 847744 1601808 709344 844769 1870890 980786 1529019 740431 51883 1075875 1931606 806075 1671913 843996 931440 942626 578693 1499273 588820 1688271 1199914 3580673 1020349 812808 2296626 322812 1182116 1381156 2737686 814481 464214 1021561 378747 451656 1892882 984162 1665476 1644268 821285 319911 954967 626040 896774 1967626 587647 943293 1930439 809180 1168676 499175 831430 899719 410984 1579787 1280863 205711 467238 1254532 1122519 1798785 1423143 935429 845559 1045889 1734685 1349646 2108781 2093265 1019941 1484089 2157538 346582 1482549 1798073 820947 1692388 284023 980526 1428790 1038403 1241686 1479667 321033 864750 889162 843298 869574 926721 1691531 448102 435444 1779521 3114880 917063 1667496 6-oxopiperidine-2-carboxylate 1084712 414334 404400 451034 1934848 657297 791431 290629 121763 617620 557380 477223 546459 699843 1129140 218086 503326 341655 775820 909218 699008 172890 825986 901037 616916 727849 414723 318132 685846 552554 545329 489584 1768282 975790 321245 569904 1319274 603182 995905 357120 519930 783402 370938 514365 439056 284242 1147111 360778 770041 595313 1052395 452647 466070 320849 1762694 361352 330078 338094 888120 987793 435591 577168 713175 357955 415699 370199 214857 310689 348662 683357 325235 883539 583867 141880 340097 410554 386528 665850 539469 413441 559960 369908 375180 470045 476539 288562 531106 759049 318298 558672 175628 479284 350854 335522 1076326 415778 521490 430854 676224 512606 505972 552293 477842 1431282 1173516 1072453 848954 627604 1412748 766215 745690 546332 5214513 535961 464784 879938 1024185 3616972 1082269 1423010 1323806 577303 691288 959900 1105055 1629535 639894 567637 1054004 826624 644840 698704 2576391 4376987 367171 446072 1226507 864863 1192009 543732 2307073 941690 1743538 1021384 814692 1184022 1035764 390508 1143453 788222 1229757 463277 813081 317798 685115 715116 1024498 812304 1349716 1817025 2089898 1438198 920174 971811 814329 1312690 154085 526155 409223 672760 3067964 824675 2417978 551594 951551 1054920 1625854 261563 664207 702108 1969269 271992 778835 814218 415642 473700 1073930 1202208 1099979 744423 582031 527118 1619300 677842 503275 514260 1327801 774583 914586 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) 1791327 2129076 3644484 2550508 3025815 1685097 1917653 3085758 2274846 2274638 3094585 2054306 3420958 3589485 2965693 1403637 3006004 2786618 2208314 4283047 2849973 3698251 2400096 2831127 3871356 3244317 2778834 3883252 3283348 3080344 2504815 2155889 4722144 1672525 2709291 4640398 2618580 3972554 2159234 1765991 3416963 3494006 2455663 2875814 2105102 4633347 2702145 3172190 2024834 2055052 4292518 3283798 2029383 3033832 4136152 2282680 2354590 2822253 2571135 3310232 2718126 1657277 2162399 1835996 3984675 2065633 2427337 2968799 2126047 4446827 3145062 7297412 3745062 3177181 2291387 3279461 4087564 3214759 3065649 3999698 3183417 3204836 3904260 3167527 2454948 2397558 3014079 3251907 3273674 1641462 2853054 2647411 3171139 1608639 2618045 2360349 2550297 2287461 4022116 2036205 2287510 2938232 2021739 2219307 2234801 1464058 2276569 2633367 1447916 2005887 2386058 1711726 3769387 2489066 2161820 1847561 2158305 3262742 1678493 2676588 2142215 2356960 1762466 1826109 1553192 2688578 2648257 2232142 1892481 1795223 1874197 2624387 1547092 3135301 2115416 3270425 3076891 3047003 1331652 2283679 2062426 1950734 2670717 2526041 1984894 2591641 1444145 2413567 2015333 1548434 4364104 1464094 2463322 1428226 2526184 2124816 3078310 2623480 2351725 2363206 2107314 2240259 2050096 1866845 2718194 1994756 2461091 1800982 2007218 2149751 2160515 1917823 2602121 2000303 2169876 2055848 2513932 2433480 2317612 1701864 1856825 1803378 2220304 2032397 2643795 1759713 1961778 3109288 2702720 2712415 2782348 1789657 3010436 1573167 2693243 1769498 2420995 3777308 2011459 7-hydroxyindole sulfate 104415 69484 291206 130801 154396 209796 166507 52260 147604 183309 80614 412414 113680 101237 26803 53170 197382 126193 241992 213116 67018 30462 103288 132396 108857 63803 35747 147790 261974 53220 106839 84318 87960 183294 413904 68752 286962 114580 31028 167197 30901 200905 58761 123328 100010 86315 298544 100881 41399 327361 92380 152504 46356 77698 96844 289610 128828 86133 117345 77920 69611 180883 39863 337350 188516 32736 198763 313034 93445 187755 217732 352901 75743 269701 618018 84419 30220 82691 67197 202886 298329 123551 52734 47521 105273 353989 18981 113384 148666 73172 80578 32167 324198 427972 121424 103694 25151 27056 76727 108273 52612 89885 270933 169821 150797 80048 208178 47095 75849 105308 442019 77010 200894 164841 84572 212123 243652 49532 207279 99591 75262 43279 56512 46582 134276 131289 15430 75465 111617 85329 320936 76122 21859 71938 123593 141956 253526 35263 155127 57416 219290 138911 87053 52907 101383 202132 51348 105136 368151 302810 53676 75922 33206 56735 84324 39083 75366 155553 184425 85304 126825 154127 35801 126909 8-hydroxyoctanoate 412108 1182044 938404 1759132 1155088 1257604 1629815 1148279 1010153 318282 828348 1980888 809534 1779583 1870401 1007371 707809 365782 1184680 1511709 549670 840465 689167 1151605 764543 678659 959127 850836 577037 333056 587245 2933202 1210030 1210069 595421 922749 2164301 1311620 1178263 385374 822684 2174982 711467 733385 1335319 813141 1988122 2125314 1350498 2209537 1879750 1532904 526890 936716 1038945 1261070 1745579 1494097 1099961 1142785 1359258 1208443 973883 1497459 778373 1096296 1159670 680939 965714 1073104 927713 698198 494203 582948 443983 662728 828348 915517 946909 200966 178244 1734396 2169144 518963 1819831 727281 1004459 453296 1298553 1503521 1874194 724080 1435350 76284 431545 138890 79125 287783 116039 115723 142367 100554 78414 180796 253385 142215 258632 208017 352205 268573 170912 260655 139857 109676 157240 154106 243696 167655 879789 117605 91761 9,10-DiHOME 1479443 1174297 353237 2486708 2122921 5321231 509058 2859183 1147223 2347749 3920811 798168 651088 1153416 1352346 359258 611026 1945367 2655076 2289355 467846 404652 1739416 519283 238826 1037334 2883645 919964 1687773 1167603 557062 4206099 1784798 1460039 2740887 1267176 1211852 1607068 2848567 569025 782181 1243246 1352908 1918538 4681728 4932208 305486 2354935 986898 700888 526571 1488542 277637 981633 2865405 3067680 1276109 2695147 719764 1975825 947516 280496 1633263 423403 388074 2521825 1259519 355297 1587605 1640795 2870445 2172729 131929 241228 6347095 1426439 623067 3523739 3175099 5468454 3893262 1832702 2902688 4580778 5006939 2294330 1261789 358396 1652480 1156278 13014176 1101231 320696 303715 1798809 2892475 1148753 1171681 251646 718104 1743481 6115394 1512335 6032127 1159892 1080749 525081 2453214 1252742 2464575 413048 1019470 686744 5907849 1388772 677767 2152276 2880250 1832426 1263844 869923 389936 5532922 2054468 490495 902502 10732801 1520562 1916660 581605 942481 733299 864154 2768922 1632938 1563272 3614313 1504108 2004650 1732361 3143281 1042664 4487364 224231 779771 2217970 717046 861252 190775 1822634 2462768 1496857 2003203 3350449 1796438 921222 927336 2040859 709536 1101807 4513195 1620278 1086848 1760034 1967865 2353693 1390640 1220046 1991443 1330341 822366 1191842 2830178 211400 1596516 1923840 3973309 3652069 4529260 1687518 632635 2502294 17203126 2891223 2355264 898342 2830780 2168087 3938168 550431 300289 11823468 4081054 1866535 831353 acesulfame 726433 622092 59845 293523 133418 453628 618867 113630 49376 841566 55706 acisoga 358799 163882 273869 235339 644621 304979 244567 519573 230535 350420 258275 318988 422877 592203 772698 180293 776410 360481 572251 169069 601885 298433 224213 472017 461350 579084 400682 311936 251366 505129 368372 350506 581402 221268 395773 481427 484842 682405 681060 255693 425048 263176 212787 452663 230699 140499 354033 345978 434228 375877 474019 276131 545862 300512 243704 162838 341601 462580 363446 472665 300400 301997 134722 265723 437879 238874 456099 415465 370564 740732 352251 420810 274568 365797 318685 321178 234421 387103 265477 450511 283412 405749 334315 293065 220969 225668 714161 313182 313652 268134 316750 267110 418318 321741 793130 255116 333520 283970 256310 365235 302280 241070 428229 536092 361460 357318 468974 309798 456753 466166 543732 226083 746698 346728 286348 753413 400145 608132 543145 345211 304458 334039 353510 344231 335451 381591 457954 337713 105179 475829 460161 485999 688113 172609 287998 330514 393344 442897 443298 371017 326772 324144 524579 453251 218143 175750 362745 504693 491103 391289 488075 155677 309095 202422 483317 297862 364485 499316 399512 353032 176148 371195 194621 417074 368580 306400 360970 428155 328371 571775 548849 329669 228312 317166 388878 486050 475218 276580 285160 450503 717927 283349 404732 202846 121990 111463 422883 279785 349655 374215 175858 836671 513864 107351 379362 401783 613236 536206 357196 aconitate [cis or trans] 9608086 13497933 14377731 13004561 13646411 20763320 11037636 16089660 14124189 14271405 27155264 9541199 11256957 18125960 27538730 9823275 9596896 15425058 14102372 11388357 16160963 13266368 10854346 15336485 11626854 14257667 14132803 13867037 12480092 12015310 10350877 17229258 9110986 10388611 13506572 14509041 13468055 20476098 11326426 17180122 14346727 12083975 13594370 16535468 13153608 14408664 20065350 18324094 8460943 18335446 18425620 14067350 10445030 14580061 13666114 15936439 12047376 18845376 16773292 16978974 9697318 11711043 13708407 13442644 18583270 9307502 11244608 13438300 22043484 21295622 18857756 14509106 20099396 12292395 15466023 18148650 16931188 16369298 11494624 12913196 17261900 14908683 20672100 10026531 12117064 17822110 14932095 10048094 18215030 15281374 13249109 13857027 16742416 16635798 13289769 14754733 13297829 18837108 14268612 32133454 35128816 23526332 13542873 25168130 13291572 9450560 23473878 16740706 26151998 9414252 5839602 12821911 17183364 14633397 12037232 17259650 30024192 24827648 10352231 12457768 27113496 22302832 20961838 15819047 9705953 13097331 29470908 19610356 12210320 18324838 22451176 22163034 26365600 15414179 12473978 21288838 15810723 9698681 25092058 25235200 14297881 10711784 18594722 19695266 12520006 15641868 13630481 12346742 14100815 24092596 18920696 21128800 17735380 11328165 18200374 22337880 14394352 12827766 15069740 17941928 8113582 15151836 14173607 22484694 24894382 13243597 10069864 21559766 18526624 35487584 20862748 16141407 14587274 22379478 16122066 21133016 16557762 17488428 18447090 16491032 27603794 21494024 26095826 19255044 10475233 25203768 24194210 17435386 17103946 18158526 19224346 11400201 15954934 12282505 13148118 15754523 18358030 17075296 13495510 adrenate (22:4n6) 20873878 10187848 10140471 12424984 4023458 31246408 16811618 21562858 13913618 68069024 52208920 28085510 22273838 43572800 88753592 80339248 11252287 73651952 50160068 27216128 37812008 43015044 17585182 33215612 26349658 28424600 15880219 34142660 17153522 27057246 12244646 14723633 34597016 15826470 33195794 27393820 28769316 85425016 25657522 28562336 104200232 33340896 50297956 20997162 93490000 39045448 26568758 31663702 15476577 23725420 21412930 10176176 12041510 31177906 6543274 50359552 72281240 48888044 73465072 39159520 15178655 13712104 18616558 67206736 40958408 22517092 29569662 52227944 17998670 60550064 28552014 74780872 72571960 42418196 33490914 16653825 48862704 64137752 59428140 30606126 23768072 31972760 60763160 86499696 35858072 84983136 24594214 36627952 62178740 36233360 29763012 8200831 33679136 38641880 58253672 36467152 34194584 36523448 27342902 27589328 25694758 38189356 68758088 48381976 61866004 6763041 58319536 25217746 70407472 15334168 41451420 39703044 64481760 107606136 17579920 79933720 75733392 96186664 36704764 22157266 17408958 15270408 35632808 52664284 8503365 38615656 30807324 42240472 43098624 71937744 6564475 50265580 17197314 68428272 33354762 31388350 34978856 55728928 59840224 62828896 47776276 27688830 12635389 104458672 39235368 15353018 5805647 31949176 23381244 10526510 27367480 39910860 48104048 32403590 19690494 38482876 39538676 41253928 22541438 45407788 34804764 32552438 53125932 52286740 11319665 12390699 49805320 12651302 62329164 106220928 15628403 53184156 14303545 40550104 51112824 101152912 36865016 11384681 36407040 73055912 19557388 84030560 7803611 104854968 111415320 32186784 9763714 37047088 42046028 19133688 29230012 23984492 alpha-hydroxycaproate 204040 282357 256645 773286 469873 569696 454855 1002327 426214 175324 235213 305984 309924 1313524 339906 336573 309391 429033 499518 562553 157298 310020 133642 446692 339723 311557 271592 216584 411334 327141 437111 578954 223769 412391 268968 448636 392394 289003 249854 97560 153936 294135 163758 126071 287043 355823 519915 390941 326869 337614 510738 332951 372574 172950 227819 300907 271592 380728 539754 321270 397971 347243 171390 456000 441026 393498 273205 372475 160420 401412 283699 407540 249521 96296 473799 397160 176418 208436 289852 205634 167640 135688 214341 318774 249896 71826 171271 404925 454547 206075 307619 324838 674611 374658 700367 845658 382217 484522 734649 382712 246000 170126 411188 218215 176978 106411 176370 105820 170023 198010 95699 258797 246479 257433 158436 374433 290015 345237 158611 402724 198550 182189 197145 422017 691883 129659 371391 92938 170505 203525 95740 173738 204744 176761 86044 771323 85586 212413 188578 127077 358185 873579 310602 267177 209235 90617 221461 274042 89228 175428 127991 204957 168420 341062 198348 95051 158639 278475 158265 502855 233799 446865 167753 316672 348451 628620 96565 202328 129909 264368 111624 111825 216034 257572 277114 167745 159834 101421 537498 313536 100134 214980 316530 180172 165115 106216 270293 234842 554160 alpha-hydroxyisocaproate 632568 571755 655609 852051 550097 1208317 376004 861898 580350 587959 432701 341285 1366828 1781035 3417567 471952 1264399 1171456 659282 1261136 526160 452483 475082 629086 571095 624473 465329 641499 657599 417276 403403 650362 535995 156133 325166 440084 594732 253098 511399 234693 309816 409014 450491 434578 405718 882157 839219 738075 138028 944979 691977 398740 814927 725718 661372 591479 645195 566430 315194 724695 947357 556470 389910 1333749 1014439 385714 873462 818487 647586 1741155 780785 1176543 494278 756211 613735 475189 301957 223979 589096 353375 646807 932414 790200 440564 309351 306388 219597 318191 836104 387340 511955 635458 334035 830040 1016507 608622 768126 240289 641462 1374826 1739403 1579362 1814810 877610 1125831 654056 776239 1299295 2088495 671003 1104089 788145 2705041 1123549 173191 2732104 1727627 3061581 1254931 1194590 1578818 767655 1066089 1366140 868169 691508 1708982 2223518 921302 1657454 797491 1082441 1332705 1130141 400011 213274 1542684 802783 614037 564753 1429428 2103631 2008273 839184 343833 1254648 1121084 634680 510712 1684906 2220835 667988 2339428 756079 498218 427854 762049 1523337 3607705 881972 636256 3565244 1114559 1749156 1002862 1594558 686902 1675162 314901 606563 3264015 1300172 660281 1568917 1037487 1665473 2366756 784497 997918 812510 1229114 519410 1046570 2138891 338892 526895 814674 266680 1184885 1088810 736495 761917 888452 491614 974176 1806310 550361 793649 1547730 amoxicillin 27925290 323137 11404778 3250423 7327600 androstenediol (3alpha, 17alpha) monosulfate (3) 91615 325101 334237 147208 333100 110561 83896 98337 138121 137107 386468 79279 157456 33858 98736 177763 56005 173503 176761 44864 125851 80843 211287 51750 83405 151759 317409 55103 127917 66721 50280 258940 389087 76383 143645 19573 158782 188546 205365 407350 280515 56371 289636 36513 90472 66682 258575 225306 60468 306031 58840 78435 220339 197919 100995 182933 271989 108531 127251 71472 46713 217632 93782 321675 51586 107968 129382 203313 31444 246644 97286 363061 97434 123729 58919 292020 365654 198165 543383 304296 68176 250098 134379 729968 283511 173548 186630 261462 735330 364981 124722 467297 117004 535993 319891 721080 332487 444038 637612 242024 51797 53949 981950 351074 91958 405103 407053 331213 324755 58686 52160 110731 60968 156952 522753 412089 734872 416299 195503 156137 227170 309929 271585 188452 82899 621799 233210 712403 177262 46047 260774 89841 306826 443522 407145 99492 471527 94782 196063 287810 25603 329231 398417 99903 401057 639983 417688 362592 151852 297791 105612 159075 572241 137166 426372 256455 91865 129400 154679 184701 48757 85521 122025 31315 androstenediol (3beta,17beta) disulfate (1) 218250 875338 280870 3408917 414337 77556 741447 196758 2462479 170771 55294 68205 1337253 519083 1005411 531177 862658 95464 126124 2434448 810763 656806 684433 411651 201273 180927 1324922 426133 27449 455789 1822126 651470 592631 30191 109013 241618 40164 92911 479123 74279 510142 180918 667796 788207 58354 196819 327880 2878804 135129 1582026 51324 5332746 630877 6230088 699499 420600 6362983 959706 57666 1199194 2786627 2561863 211709 3006555 80000 452127 1534733 67310 1074180 2565107 51691 761151 193964 2798236 6566590 410673 1909670 576131 352631 4452366 265235 4672598 160636 743732 194643 28469 583772 267049 39231 2110077 618711 2281107 1807923 930462 1362246 140062 957120 527611 5042067 531636 182427 769266 155169 2241450 233315 307048 65568 836840 827198 1159187 568081 315542 47428 468590 842583 4683292 687111 510153 1182599 295710 155539 146010 1136525 615627 24639 767792 1698124 824445 379096 104782 257148 131967 63015 60756 71768 446701 77159 694336 133526 722670 722529 59483 132623 621423 1398914 176991 1229540 76878 4803694 804172 8053626 379699 380891 7042984 64471 829614 126219 918415 3884615 523347 229077 5194751 90413 291325 858924 51803 857890 2479929 1899590 160645 1674888 5949826 727389 2286096 347401 550266 4288592 150182 2998037 150816 938389 301239 448498 401758 372427 1291983 940902 36675 196109 18457 36122 732885 androstenediol (3beta,17beta) disulfate (2) 516564 506416 823713 357486 132795 408625 362157 1007682 70002 253292 159624 589252 133369 257141 141835 153562 905140 686556 213929 388221 254505 133254 199487 592559 321704 195618 723369 356511 775853 68406 82018 542451 150525 73794 117896 87897 125539 234540 431206 634151 187015 151049 204608 525898 186203 579401 61306 1208682 264253 1166704 252936 398423 1874387 44996 208497 232772 828837 272686 70481 896628 206275 624855 540039 110674 352284 989335 91365 138397 349962 1654533 3147164 532399 554840 483048 463548 1329899 197843 1593495 243518 285443 197361 106187 222178 171057 136643 682233 376080 988880 1099682 657033 232777 269496 894407 1039903 1240105 550301 385535 506179 539957 1220756 419623 151517 71757 301983 1568079 686360 244236 630805 225098 732337 377400 2777896 1320068 750797 878023 348041 127377 204530 1499071 918733 780944 941568 904448 1739646 206275 48368 452942 271460 167954 294891 249209 690354 138260 1094630 416147 1109715 576528 187240 604491 475655 1908150 837970 592410 873787 256666 1572073 194907 391352 1961202 306721 359484 210854 152413 1081865 1740701 793600 70824 957892 307625 842351 753937 155934 236505 1033462 56332 494846 1179304 1945459 2941782 576405 1392359 728244 1202865 2960780 117110 1098363 619815 190194 354389 280979 316930 495072 546352 723363 153027 184437 101790 758664 androsterone sulfate 212045 1146674 58003 876313 51106 397213 558209 129277 51966 59793 259424 121846 478829 48272 82375 61018 110675 697246 141945 253057 247225 46337 95172 89922 309146 173208 40441 257002 862297 73051 44830 360862 289229 1057930 1173484 41549 109745 19658 433183 281097 531714 297923 2375767 547798 75285 818681 247186 58887 33632 50969 916316 104778 43646 869765 45897 129140 112406 1387231 414959 295803 589644 1844325 287773 344504 121433 120909 422513 57157 1433480 30717 206504 43467 93601 191518 189849 707400 77678 772887 199893 419440 146419 382517 1163700 299312 1209839 612625 53171 602712 220099 996296 771819 242812 75128 381237 1545387 598091 132834 557979 191920 1270358 319042 2940998 436629 1092449 1031545 196270 118348 46028 2457822 605026 104008 643286 710569 403331 310315 219750 38783 31849 178939 33563 33740 117372 1049465 26819 1232617 72469 2569596 988130 276070 103129 174437 746815 284674 30107 530388 357974 126381 3175749 511246 26241 1278396 190953 196140 171456 225216 569863 1515169 493513 84742 1486619 103215 369322 313144 18308 1748038 1026060 93268 652526 767671 807446 2534853 435741 1152352 224588 468480 984667 80532 757143 250096 146718 126260 197955 242085 140368 250096 98047 39478 118380 142519 arachidate (20:0) 49685072 41071228 35963076 312587584 53342216 107426008 30025742 58748360 34632708 128988592 144349248 55316892 36077988 56028836 76960472 26574560 41399840 40809916 52614608 75952096 80685136 61329644 58301952 91806352 47769216 49850584 39256184 69847016 43949304 56711364 33515084 151946624 89798840 47894320 38745460 126895688 65780508 75065032 52873368 74020296 107464584 37985372 44602740 90585208 53336316 55463864 38881312 70773424 24442772 43407680 48788720 22258346 36164592 47241016 23636952 36548732 43376036 132946880 63940736 69512264 33621504 34738892 32545078 28598772 149216160 46222872 27586464 64661792 118036432 45785116 104381440 66288208 178363424 82963808 23369268 23695580 87632568 61517168 36614784 79511440 82046144 85126032 73503920 137267488 71353240 168255904 91962600 60480812 52656200 29034916 47676132 38001508 216697904 38281092 211666784 24914828 31532234 61248136 75240064 155981136 79244832 103959880 77534704 93480648 114973912 63538132 147011024 96491416 138409312 29601478 49174928 37309616 130380296 33241978 39614404 46089836 141230112 83906736 42270796 77944944 68346328 100188904 66367556 37846444 25683164 108713936 77872312 166520400 38493488 161652752 61929152 57888948 164498384 105890288 35935920 50099580 57383496 53498960 143249168 102587152 77442024 65397848 78561560 68149096 61951500 54090608 42974044 52725664 88853968 45754456 50637504 22068430 78127984 58614844 24909198 53503480 61308024 70924776 47033616 44215260 24890146 84049144 46360292 78312456 44378428 94874416 41143632 48791580 92540544 114136736 105042528 112435976 99697400 70166440 43752236 83096440 107860520 28592448 46428972 44248596 73376096 93488360 78407752 112921816 31740194 61226512 102424136 51136504 41642920 110695704 130082432 130724224 84918224 32535868 32189040 217078848 63160884 101827392 39713740 arachidonate (20:4n6) 156690128 164150512 187543072 210839936 241120512 279279648 269805056 418413888 247326224 501222112 328577408 425548000 261136112 470776576 393824224 162965984 359710080 118649512 353327168 265269600 447022816 916289792 279578432 501679264 426111616 307201952 266187776 522065440 289872096 322063680 273196128 342723392 262360416 197161344 344862976 193968528 284527744 492146368 281686176 329905952 511761696 383517728 444832672 296585952 491685888 504999296 314231264 261060912 209532096 410935168 498925056 126842320 224999136 382488032 144017456 248023232 273601952 387903424 257778032 338916032 480135296 139066720 203556768 266792080 714496576 350828128 269957440 344180064 335272960 242087536 426819968 256032400 380583520 384650816 194288592 163864032 256591552 365732928 189984704 371181408 543572864 344111456 434202080 355963136 247169280 356369792 434772192 292514112 442575680 206589104 308191072 321338176 511894944 489796480 189128448 154519840 257633760 344930656 466033632 280286496 314333056 320334784 337354208 211481024 217992192 292117024 305750112 373968928 508376640 167126272 310827968 336402208 310060480 158963856 459648224 261052816 416954976 506038848 172323264 312745600 450855040 536832384 513173760 236817840 242771312 330655808 402191520 749635904 127189808 375222688 222614656 337294272 264350160 355154016 221504240 189666400 244587760 302877632 330282368 368743296 308480736 168144128 472034496 192619648 252456448 310569536 531003520 149038000 465330816 271835712 200023472 133960760 275010304 338910176 185584944 253098704 187194416 430590784 348155488 301062688 199659792 275882880 264017408 349822560 367563648 423121216 218132384 299502688 273443616 439130400 672801152 383441184 252048912 477572544 317924192 405694912 571055552 131836792 341110048 304655616 455062656 318965216 496970944 232159952 150623040 295939232 504167904 239307040 394765504 286586816 433963104 374860256 442902048 184450544 226122896 363649344 262722000 353324512 199438208 azelate (C9-DC) 85930552 92341888 56448412 128988352 82592960 63324220 97027072 66454908 66772668 17014928 53872980 103377744 48856144 190604800 117172376 76224008 44875192 20149512 85619792 110482856 38227904 44037944 33852572 67217344 27755560 32684770 45969016 57680836 28759534 19762040 26354594 124114840 58610340 72295960 62161600 104294568 187293968 76302144 80685144 32534380 50056336 262253904 59310768 43882136 87726696 53187120 122422488 107892392 78508176 251252288 250568512 150221808 40923400 97652304 447853 78707512 110201576 141624512 122221176 106692616 120914952 80777336 51311592 45053512 83161496 44103680 71365656 62888928 36281616 52923968 85978024 75186736 29164976 25325828 48674348 33640028 40259204 76901776 83016832 47933512 791969 409940 763847 1351055 638753 586457 1277728 463645 454902 89300464 107321952 55217112 135220416 56141456 106072800 37855936 124279360 124557976 196670848 66427064 1825897 159285248 548121 918456 612324 1147932 662860 10665708 765622 282441 265857 335330 1324652 489092 1245771 927146 653590 1203897 600477 2852523 626858 607681 248241 673226 219012 440489 405263 219188 742891 705649 632764 1321566 2982744 8930088 919954 1687745 719147 582414 4422275 2845936 786550 713156 849987 387398 737747 661074 615737 534292 619336 734232 221713 271312 3106744 704028 325452 2017249 607466 785342 2989331 1234617 256252 1151987 444890 795032 727579 288974 445949 2632653 619771 455597 1479654 887808 451142 486427 382346 1314796 474600 459147 890910 458696 560089 656228 917698 1388082 369368 524600 1510214 1342864 662876 60921032 1757359 1178033 403043 448409 228075 3161813 400323 653332 1048625 benzoate 1208340 1079661 3441360 1255773 1229431 3514090 1019172 1625055 947757 1516229 1493073 1078286 1263735 1404436 1112057 403940 1306060 1182855 1204656 1213172 942984 5230942 942358 1475206 1357870 1303284 3860245 1471397 1495111 816772 1914357 1951460 1431308 1111754 1244480 1221744 1275714 1316530 963482 1028805 1378841 1149760 1363901 970342 1408753 1183134 1454571 917158 1203044 1440769 1164530 1022401 1331989 1347386 1479648 1160399 1526132 1418604 1464016 1510436 1248639 3761105 1367172 1095329 1806935 1145476 984298 1138757 1450508 1499792 3934017 1054522 1389984 1009936 1509887 2032431 1575206 1325539 1587199 1511131 1794073 1317817 1410673 1405099 1372827 1672979 1124173 1009925 1660905 760447 1144363 1549258 1715387 4258837 1471948 1223297 1327405 1227359 1692412 1523374 1432335 1642315 1596698 1665414 1716651 5017704 2158703 1484526 1572949 1399565 1574893 1543814 1404686 1618470 1346656 1916312 1646437 1560280 1217480 1625856 1895253 2015412 2283161 1754314 1553520 4921672 2685249 1836034 4426623 1556693 1488762 1713299 1574868 1056772 2027870 2060423 1036292 2016426 1655985 1713087 1462170 1248561 1739042 1585054 1298838 1692525 1702244 1962734 1391033 1911708 1750122 4266715 1425505 1571209 4476090 1392699 1707955 1318641 2581368 1310483 1571876 1426674 1854662 1916962 2590949 1949149 1363067 4221791 1375463 1441485 1445777 3270295 1410826 1894748 1872047 5051122 1769554 1455146 2055815 1836401 1846449 1219133 2055748 2482576 1676325 4711143 1671479 1290981 1955351 1426930 1783905 3801864 4722067 1652187 2056091 1583749 1480236 1646838 1512460 beta-citrylglutamate 168271 137232 271561 255443 263522 285898 161854 598543 270971 109429 231988 128017 91279 138160 209318 46200 204141 67385 157192 158103 75884 249150 94384 407464 132079 146524 222152 253437 112436 146745 96368 266943 467194 136371 91288 370940 250253 302969 84764 124787 167256 133281 137393 201739 249170 244736 256635 134192 213739 273735 507792 215433 114322 226777 76463 138927 192728 210115 196505 260625 228034 195849 277824 352170 461481 242545 118182 118582 172804 216640 229045 121738 162068 89094 189364 217830 331180 260056 129095 92013 261712 169552 210189 98988 122693 161824 90559 41086 176458 276601 346272 143618 108374 265184 127772 92341 410752 324513 342368 106011 88120 361005 57195 100179 89175 107782 108091 92990 62434 108644 70527 35137 57703 74288 48242 68199 104712 141246 39430 70495 90979 227363 201690 153661 90499 189536 68010 99451 83385 46897 45241 78194 123810 41759 70857 116130 48804 89990 107171 48096 59887 152601 55961 68410 178791 116201 91587 54908 84297 161599 132188 75926 26705 107630 160573 48721 100636 86852 118982 112767 44324 74756 72765 203237 79563 55453 77467 37922 147429 85282 116164 43423 81508 139777 74840 58805 80881 34171 75190 175115 58495 139081 89702 90259 166649 71088 45425 50780 278723 104927 103423 111893 85754 32241 42787 224266 75960 36780 beta-hydroxyisovalerate 3048546 3813064 3006163 3048188 3632130 5025320 2002890 2311788 2532981 3363681 4826506 2452786 2662665 3530649 5878097 2097223 4038739 4499139 5538830 4365571 4439616 2633657 3524111 3749219 3417907 4621563 6391945 4228249 3196491 3475073 2707404 4308307 5138553 3967102 2216168 3619362 4580914 2723224 8953542 1722319 1827703 3106003 3503783 2866279 2586050 3044914 6256394 2894474 3472605 7106870 4230938 2284457 2884574 3321544 4670391 3211503 3263161 3535325 2179437 1985156 3103509 3469220 2698345 5117976 6371977 2287842 3758703 2620054 2560991 3887794 2886131 5718708 1613503 1883072 1615698 2750749 1901913 4170251 3438424 1623376 2256177 2420406 1539979 2908098 2598446 2074106 1925615 2452186 3406076 2725514 4300167 2273729 2850592 2964477 7652635 2979671 3949312 2834819 5609219 5027831 5291552 6333462 3745935 7249109 3176718 5461337 3942494 12285763 9858793 5626276 5490784 2848503 12489091 5402268 4005689 5319912 4887505 18275206 4752865 5638204 7512899 4419995 3266875 4234898 4968174 7649269 9309705 4537826 4540306 9844720 2254659 5725143 14204222 7873297 3245580 3579089 8129718 3630270 6817054 4556337 7867968 3982191 11119610 3301667 4372344 4904900 6254404 3027693 8719082 4557391 12383715 1727482 5079712 2946526 3289388 5973560 2928829 5127517 8832056 3892431 2313662 11681327 5947838 9463405 7988463 10651544 3204636 3203758 2338573 2310177 7441835 4081804 5466434 3822244 3559660 3824750 10208802 3063423 5076709 2737642 8596997 2723753 6060550 7400453 1726604 2128987 2811526 2744161 5655901 3156049 5783485 1689785 2799968 1671438 2192840 4300366 5566797 2035679 5613945 C-glycosyltryptophan 272135 253185 259441 311248 414301 267280 243321 319079 226797 281965 304246 285039 288311 340855 369916 199734 288647 218318 273532 270116 292900 278416 266457 386348 261235 292643 368860 299982 276239 234333 273193 386680 332618 230391 306635 326566 226035 383981 303961 212068 297573 263749 321373 326438 277161 232094 392818 286501 252599 301192 433674 289051 293365 253624 285460 267240 220940 263136 330926 335770 297831 247562 243624 321938 263144 255781 277195 273658 373966 256211 295422 274375 259372 235371 224008 259076 339284 359891 348368 294731 314820 265058 332862 283143 275711 247662 271874 238995 295885 282283 244327 200366 255982 324213 343691 353707 303199 256911 318685 194148 273317 258282 331253 252492 243988 215723 248384 197455 197675 295676 309169 190578 508730 194556 263765 232069 242790 315971 279747 322561 287949 303943 289141 293961 228366 325224 256590 217542 220184 307280 252513 351984 339722 254247 287920 307441 217693 209167 242944 177013 244936 269657 327995 307468 222962 256961 264906 304276 305213 242393 366153 257484 258848 248749 307155 304232 191355 275379 311826 234952 250508 267532 200421 248857 110771 192180 199371 278653 301379 262444 250471 281547 228656 205707 268402 226566 269412 310543 381072 306342 317775 226419 289601 255144 223007 233734 287692 305113 213788 334311 209836 300799 265901 250353 253800 285051 332450 272233 246617 caprate (10:0) 14967219 21817124 13792324 19114398 21376674 25921192 15096732 25633038 13620102 26639762 29845392 19882510 14844524 29862906 29073034 11115134 13011779 23107226 17374372 16344840 25476734 17776694 18331820 23695112 19860056 24710576 20124802 24153288 12722397 21710432 11893906 21159184 26321938 15007114 26485690 26942062 20281494 36280532 44607064 21049476 24328504 16554270 18422030 12580619 17691710 22711532 49144032 24753268 16077042 23632082 30044152 14136075 14682709 17326026 10919222 13520078 14943781 32472396 20966678 41992904 16672465 17565732 19388324 10929549 15732569 20755804 14007789 20353050 37042204 21284206 25082804 21211422 20486820 25649756 9901867 11583463 29603060 20964446 17345372 37941156 19614650 34555116 36757352 19231956 32078572 34680880 43911272 21451394 15793130 13392072 20881652 26964950 28661132 10977429 38903860 10977109 19492076 25533256 20568244 19831556 40752772 26718768 16027063 19835798 21904582 20015508 57251452 22765486 19286348 10640041 14380407 11276288 54297116 12803903 21432058 30152776 58449012 28080512 19604824 22457808 23432146 22342536 16549753 19641690 9110721 15589139 38814472 16619930 12990598 36648820 15056695 27519562 17351822 25979180 26523870 24165518 51326812 38392992 29583284 23163738 25352388 19199998 22139792 26341632 21425674 24660092 15643467 13146449 32825294 20127246 19070762 15301159 25930118 16703923 12599838 15118394 16792498 26048914 21062472 26297410 9158377 34778384 14854271 21053182 40460156 14196417 15773135 20844702 21379974 26944220 25885114 15705092 12700346 19863384 16937182 30788488 37143088 16309808 19085556 15424193 20790278 30353190 38290672 22303174 31373414 32149056 50354392 23052184 20588048 10850864 28440946 32907996 23067406 13289563 14395847 45129700 15963348 80758728 15040686 caproate (6:0) 3273962 4181984 2895100 5656590 4160551 3940438 4394942 4927079 3341574 3195314 12351463 5115088 2785925 5240648 5090422 3559264 3233893 2945326 4061649 4497926 4023298 3958148 2700074 3911236 4000212 3270580 3744672 8789705 3990740 2413650 7589327 6884883 4110321 5227899 2652607 3973683 3759990 5317714 3392432 3379202 4050123 3995631 3621519 2972714 4321664 3706686 4515466 4913636 3434334 14113391 6159998 4868438 2951938 3074879 4247374 3608503 4283307 4996790 4749842 5588182 3499401 3909084 3611316 3192994 5105408 3707374 2987006 3841689 11748040 3075021 3574438 4105906 2668780 2327493 2174313 2468443 2978202 3899666 3590449 4494964 3739621 3738579 5090282 3069726 4190742 3869943 3653582 3069707 4165859 4674600 5392408 4654828 5584800 3888226 5384139 2547248 3146224 5226700 4281511 3249054 3206699 4657238 2874809 3009199 3626130 2851515 5142615 2872479 3164187 2844299 2921891 3543222 5456173 3693190 3257763 3876334 4447536 4199443 4000065 4131225 4580225 4293433 4468246 3812447 3530106 3530934 4054439 4038944 3626189 3677515 3486655 4198344 9167891 3351484 4576720 6722069 5971686 4217034 3341331 4269569 3932911 3734640 4991717 4052673 3060591 5200885 3654511 3222820 4070481 3587135 6149054 3758520 4370927 3296638 4152680 3647229 2222272 4969110 4973897 4907440 2766028 9727049 3393863 3477848 6647656 2968248 3101648 4038100 3471193 3556225 3512716 3808480 3022646 3894128 4060600 3721204 4524582 3479931 4694327 4201751 4945035 2764591 5243000 10020537 4622925 4372089 6077547 7302668 4797349 3409334 4481717 6607020 4214552 3208910 3705236 5488150 3613352 8006464 4553098 caprylate (8:0) 11860742 16203324 12440289 20936692 22058388 22784242 8248934 26920616 9815936 10070843 16007146 9573519 16884386 20926614 17704420 7107945 9360821 23272722 19427884 14619051 16025439 17857374 5975786 14536095 22128706 22788622 19093954 14398499 6825692 14109555 7761885 15593676 16244285 16257216 12550750 30386876 24369158 16811962 30908564 9311225 11787726 10150816 8845911 12212630 12107292 9027674 30276968 10580892 15558018 15716863 30315000 8595480 12566788 10490273 9481631 9583531 5829486 15848649 14114757 31281048 10012170 11221326 7964763 6575121 10638683 8730760 12062854 8907351 26200882 29504010 13026167 16250025 10618404 10422478 6226038 15754294 11108178 21306284 11473165 23401768 9697272 16733302 23492218 8563681 21832150 17313240 14462852 13228183 10629141 13761107 18197080 11773769 13544217 11214768 33881160 7124660 18651266 9048802 12448912 12483808 13828428 17442082 15103974 12417869 20481928 18259802 34706324 16003220 23720074 8721680 10881899 7912327 26513000 8631663 12442786 17441992 22189132 19515610 20241738 12546175 12406249 11711834 12669804 9965177 6830348 15922538 20978806 11835281 11449715 16888884 6832103 12283013 12809831 10844668 12151744 15408297 32279010 27631810 26556440 11200463 18843320 29322684 12926422 21414470 10502905 13683676 12681476 16084562 19015270 12658130 21483750 9774155 15075473 7774705 8164366 8322450 9999965 16965852 14181016 26906282 4494010 32959592 8148991 11455739 19702010 13315337 14947634 9623589 7967719 18940542 22108788 10211757 11225323 12842405 18557312 22271776 28024038 13342285 11192870 15124399 14657284 19425790 27821962 21585174 29326734 13750861 16902988 16253218 11975232 8278037 13419578 23203814 21821228 11279393 10691176 45505464 15458526 51315856 13474778 catechol sulfate 6550084 7041366 11037501 10270035 21289972 5840190 23993820 11122240 13810145 7811771 6109890 10457842 48494944 33148290 6820164 12265088 12046177 6110613 13630113 35791004 9642334 29440344 30701746 2425931 9807930 11184606 15998848 12704615 30704786 8587348 30611344 14450886 4915334 7032660 16705747 19634612 11127663 16535303 42630744 9105517 9317681 12723006 8319397 21433400 4752933 31348448 1609365 3917197 6521234 22922190 10908861 13079909 12574111 11718756 18258672 15754158 7418055 6839816 3540260 6317822 38980820 3912915 8638714 15123150 47643216 8125592 6409279 42003388 8656518 5516462 4156687 21390728 11575025 13758620 15510288 26573846 36264480 7397549 14031680 9443541 10318031 3084754 2334218 6656734 2294740 6490486 9807954 4385862 28673788 38853996 10367887 3177838 21895048 22296404 12068950 12971696 23385674 7008762 12480573 1520035 2316582 5394608 4954920 5636665 12910015 21692842 3997955 3554162 1157002 4712070 8534317 11531633 3151561 2384870 12264143 10919445 5774636 2658586 2943249 6699780 4661469 3909284 8276038 3127808 5342369 13434847 2108366 2840652 12714695 8144836 11008039 1728293 18132666 1351666 15336874 7717817 7458521 3350584 12706915 1054146 835239 8266930 1910154 16943920 793811 6665991 2109999 8300352 2478409 5663287 3763688 5309314 1077201 16857862 19193296 17164208 8530519 5642572 1230383 43969720 19595584 6827605 11374982 17478286 2748246 1158543 2231339 6613712 2366672 2841062 2810661 25897052 9242958 1264651 15048779 4575825 1313078 2418583 3688696 12816767 3292395 8841278 2092178 3732357 8478051 3136409 3451794 18078784 10370706 17874830 1632722 3901453 18077440 11162134 5663663 2030603 3734309 2690984 13146086 cholate 1355333 1345708 5012192 1241562 1222308 699666 775240 3063381 545356 459276 161392 780293 2418114 195348 144494 380374 363617 736433 244382 434627 19705862 1698081 255628 483126 1144495 625404 662372 710913 560298 351338 957235 334540 1834760 794216 2728235 442251 1704418 213301 660127 357457 252839 543354 1092091 670931 592522 155522 654504 286879 435952 1406106 683066 251922 1999174 882955 465572 702862 392097 1505695 661521 658448 269965 1038896 254301 498295 107155 394794 175100 263078 778007 545903 733872 2801901 710663 2791497 872118 459049 594203 319062 212435 412961 949245 3283749 491633 32027 106376 218870 1019120 844966 839234 590811 1361364 2763400 937138 1921435 323395 477626 1186419 2545482 1933773 2201787 11023743 285855 599363 1191009 1042028 1252047 2989729 180120 214375 666733 151195 642848 983496 270663 425217 201698 637354 3023043 303323 603473 1302225 6069945 710649 2337851 913876 132440 699399 2148986 7976791 1156125 573884 783693 198043 93854720 726843 4761353 556952 1072731 6409408 802634 563734 742577 236187 1839160 1866033 44003740 316909 614016 14580291 1424574 2344074 25813910 4244717 961131 386384 46899 503440 885450 383365 98717 351264 396609 1116255 1354667 3109925 445525 1095495 469946 629936 449317 116196 466079 182832 131392 6917554 5200219 602266 298938 1110555 7766162 804168 409231 1150368 856431 5532242 23024026 581063 243480 903190 3017502 cinnamoylglycine 94877 809040 82253 638464 566070 243378 137772 140635 216393 3805582 3163118 342905 709546 2873043 240653 171734 87501 489986 424656 75735 287333 1182802 1367403 162490 261587 635091 274040 693455 134200 838926 495342 394322 682184 540545 157025 168785 244370 729392 1260398 3089880 317241 2455837 209157 944355 1705884 503851 960114 420459 2148535 114892 73906 1545871 288400 560256 523755 2669250 1529043 2893385 2024118 333932 286830 259516 627122 783957 188644 1740898 4643795 237671 603942 1474100 4787210 5485190 110417 170690 7374801 4828460 941537 2262589 2659421 4499548 1291846 478506 2621188 3828189 1689642 4190059 55622 271634 339163 1531886 4650615 406714 95621 286376 186711 2275564 1354732 2671690 9469354 291577 263070 411951 219249 133667 2190011 177342 491584 133122 110041 698984 111670 63113 474390 558416 5065890 1353004 223858 1972932 1769147 4943934 332583 638876 302382 482545 1579883 75861 502051 88655 3650076 927462 1438358 3513758 1151295 241109 1047396 161660 576075 604083 186181 642761 512395 49744 1288551 1214363 88753 61475 562293 704842 44468 455930 1020553 475629 238553 410558 434974 568107 1000499 749050 113665 94345 553680 1904416 149742 672761 4091964 782965 1709327 175839 169890 680655 603554 725265 525970 592197 1090393 246486 145277 1274767 1790930 149348 148898 1205369 1004465 1449088 377341 191082 1101486 2192213 724820 592122 50117 2845815 878636 1356613 201556 cis-4-decenoate (10:1n6) 5858436 14468402 9201739 17580032 15902548 27487270 5670056 15524132 7814772 20105730 18568298 8743831 14205736 21572000 13922368 4488860 4165096 30400642 16137537 11999734 17635984 7941849 5790470 16584013 8844404 10403788 24538120 7265752 10546653 23648416 11470148 7264351 16279522 11778247 13257373 15865670 19899770 15119964 33220564 6406021 8152255 4494999 9565044 4438639 12060639 9065865 28667150 10935838 10922826 5971237 30838736 5191515 8935934 4798813 5274922 3964754 5525599 25084208 12909658 52688812 4983946 6436233 3944852 2162120 8620788 7935089 8573172 6275043 24973638 19434704 17480962 17505842 9711743 10328100 669445 7165413 12623157 13646205 10648272 18976472 10219114 23976234 28274572 12476130 20548416 27074602 19536630 8081020 4499338 5199945 19578492 16541156 24531722 6377671 60184776 7823863 6819585 14837220 11359729 9917278 29475954 10879219 15151546 10875856 22108320 14405400 33930788 7789062 11110768 4253205 10415499 2530079 34899940 3268047 27596810 14400827 51906820 29323510 24871168 14192926 14288847 11886833 9597661 9625571 4282676 13154345 18693526 8667248 2106861 30025332 11976339 13714262 11258956 16268107 16412823 25236464 60597460 16028204 20875424 7140138 12533560 12042066 15711897 17698368 14782192 15222210 13484269 11392118 22946218 7209481 17772508 2673005 19918308 6766598 4888794 6817844 10618445 14228020 10246877 16263847 2610631 48629668 2934838 10536713 18173822 9570229 7531006 6600272 10481664 22589994 12457556 7546709 5078685 11734995 16856708 22187500 23128692 18384046 11927306 13594939 17062666 20103486 25342902 20159506 9567011 14837234 29138530 9984252 9903225 2632887 15435265 18295320 14243997 10793166 7032902 40222200 9566883 90186512 8318775 corticosterone 53147 378345 37573 76892 174286 33022 253947 65894 608930 208048 29839 47833 39263 56464 97195 147977 36216 30475 54639 96398 44877 92317 199234 37630 196039 129709 73208 60626 54762 131245 55315 106088 52079 67962 50695 40624 29875 48879 259755 30934 19376 38523 123792 92417 48491 58821 203144 77466 108538 48906 30452 390141 83022 100994 108597 17933 111369 924321 573609 39417 689009 454544 47599 287786 47172 536898 34719 875175 69521 1033496 765001 644518 325559 33921 295549 59771 89085 353734 33120 53108 246580 583767 175732 518033 283405 251855 701021 68782 58597 64895 26600 872621 119280 107804 245618 98316 122436 145585 83601 838976 97195 24038 177365 90029 726161 99858 180192 198291 842807 285134 44346 235206 715167 33552 138057 15856 46582 cortisol 1047597 1938514 1068442 377273 496997 459172 1003137 665932 1775210 962108 1934861 1181654 593026 464733 4828984 668399 887105 1925454 646126 661400 372310 949804 488631 1013657 1212602 584192 447137 562912 920920 809150 763130 1221070 1704337 1070889 747026 637406 981525 880349 596722 1126309 1136565 854273 320841 1045954 713558 1095275 1262895 1350023 948849 1253993 951115 845997 1100153 463539 456228 283896 622857 1198734 1100219 820909 1195522 814894 713563 1045197 425128 1499684 963941 667044 914615 1446913 803511 428578 363172 773221 603135 743971 1857548 1053958 1206521 1148618 499605 1469245 2146071 1290317 1250979 1901629 1885417 700904 1380299 1475823 1219974 1960363 1310502 843295 1027525 1366638 995668 1246014 617431 4098951 2148668 2292764 657398 5413138 959697 1223413 4647950 2656263 5099773 1512967 3231391 2505146 6076943 2353195 858618 5695778 4647043 4534446 1100417 3833217 1730093 3211956 2934900 1137117 2403113 1792521 3108489 2416265 215040 1719215 1352279 2305522 4876861 5224492 540577 596417 1170328 2882850 1437150 2260665 2971392 2751785 4588361 2344845 2824462 3440630 1311304 842094 1844926 2241940 1636930 739566 3861847 664374 1470381 1626831 831328 460591 2714799 4112702 1387742 1231727 2622968 3164384 2698813 3357482 1483563 1600942 1948743 1326675 3236052 832891 383229 4342715 2722940 2402371 4164471 1350004 469799 545713 4398594 479295 4387996 1612350 851252 829853 3852879 429440 776291 801614 3266437 1876060 893736 1165552 873296 584139 687687 701788 1939578 cortisone 295493 478196 343043 128174 76721 122010 346691 179374 392531 358852 544084 289147 332379 214285 859678 202261 226054 494454 198616 287923 188044 343232 192694 355382 364701 230712 147509 187002 460638 214333 320200 215014 424816 286589 261259 290768 287278 310597 129455 356526 520262 304268 173189 349353 236729 448583 369567 418984 160584 464929 257706 361861 299561 200170 168950 148082 261296 224215 406381 403686 369219 207409 296590 261029 195283 436009 269066 255808 273607 494774 195299 181829 210691 274097 187429 240230 497679 322913 420691 478728 211431 498362 897327 455038 448456 431909 536017 256314 503231 552796 491556 470030 562125 196815 211917 288405 324798 484211 200638 467243 480326 594045 171602 700047 316911 316341 636338 694714 500306 279299 505705 521490 984616 857612 283219 610866 743693 896042 359731 659439 583281 616078 723086 449651 538195 245047 798271 623795 72774 404595 460797 691566 624259 735497 174767 368475 312956 739412 286001 543300 653095 439459 644070 435348 740669 891846 256116 269356 537725 536841 545986 161442 708475 229328 223013 500788 330791 107557 620097 679862 443062 381601 564898 516475 629901 365159 384892 622116 379739 521801 319478 263837 97833 472975 658296 624908 730159 217784 117381 192659 754395 210584 781386 651696 361904 314334 786652 139381 280713 306405 566086 541229 299533 159449 350108 141459 216087 137864 738629 dehydroepiandrosterone sulfate (DHEA-S) 458816 3099743 700134 4919232 355508 110752 1546483 440146 5653730 393851 135668 179994 1406756 529622 1612930 431233 672531 396227 523391 4167696 2026916 843369 984154 486375 635735 505656 1350536 1069338 189725 1350410 3128869 969346 145070 141821 216100 311999 337768 153878 90854 1118631 181408 1576482 226077 2656644 3180139 205533 511795 344543 1709775 507176 3847423 158221 7010630 1773282 10761112 1272356 1078635 8382999 102130 2284546 156983 123590 903786 6221972 1452646 306698 3973392 326927 891099 2400929 85190 2400714 4294688 46134 1345734 259959 5647403 11979673 1809261 4029918 1176079 1316026 4986611 457661 11123288 293280 1811560 499726 350353 1204318 503133 213288 2524427 635833 3388574 2257093 2489220 1190349 623332 4526766 1762000 5311192 1755600 387009 3356907 1088974 8367115 1167426 392962 204259 2005625 3464422 1760073 990011 1546437 792965 2944183 2134444 10405188 3542804 2423474 2765593 1127966 665366 275438 5334775 2854123 220185 2236489 3235731 2272888 2362373 459590 156419 272654 582827 177390 234899 233766 2449959 155740 4503498 275603 6107825 3798449 242194 345502 964477 1885033 1139353 975216 1144503 5794415 933611 13938108 1423595 287078 11507986 242869 1638802 221200 300041 3899482 11061671 2694959 338820 7833983 373926 1441835 3320507 122957 2079497 7532627 133000 2414327 1936713 6264486 14348997 1340864 7697321 1516459 4504671 9741264 361588 6089249 500085 1803147 495374 521242 1491999 779400 1908162 735019 207241 454992 1604198 diclofenac 405127 405127 25136046 61507 dihomo-linoleate (20:2n6) 33144176 54601888 27162860 47325860 28608500 49578752 39169544 60640144 46278328 152920528 134564880 64385592 28037770 104073664 192316960 15222525 38637452 23717938 89174776 57542868 103101960 96274464 59593136 77938872 35675768 57408236 40377832 77619840 49620572 73901296 35279112 54508248 101735160 49328436 55371708 75418848 33102912 195469696 57666568 80271944 202093056 66007692 76847856 41581336 101107224 139045008 52575988 66970552 26393154 61695284 54257708 17155832 47545444 77163744 23401434 22225088 44376820 165869136 69909504 104355560 66026352 39866800 28068418 27709194 134901088 37653368 23010852 70047344 174844896 43571160 149749472 67883912 106364184 106228016 13388878 19040026 133297840 119708136 50687968 165486816 123242248 128543296 108788296 64095488 85203008 234613472 172887120 86126168 71836296 23289854 51447876 95552312 163804560 39190216 82899400 26914904 43585024 125899536 104888824 126800184 137086976 134009000 46590580 71013920 56403308 49755636 161718576 127520032 135898000 24972598 35840500 44835064 187693440 31974306 75546664 67881088 155523760 220510288 47087448 133398688 121622736 204197712 97652408 74503144 21254724 36903728 164546224 127465072 13884495 137476224 109996800 114154040 196126752 197163904 51742076 68018928 59980760 93418424 105212080 123476784 90986208 32838576 105357664 41368836 79852144 132582056 37460884 17008238 208285856 108585736 50780196 12344363 119522320 57898744 26840338 15728734 30177520 79279024 100805120 64723808 18056790 63139088 49502956 103593600 108512560 59458856 24987872 83585600 118463440 146941712 119372912 37206528 21627488 81441320 45529188 147941408 190522240 40962220 103371840 48490432 157561904 113325696 147147632 79129248 36102396 117420456 198357376 67018684 84693376 23472224 188527088 165763408 66847180 19776786 28337182 108873352 34087244 72636384 31306276 dihomo-linolenate (20:3n3 or n6) 23226020 32405112 28276804 32434028 24362840 43028288 31316964 33005296 39514264 97123448 56004296 45800416 35000144 98854248 98935856 22467540 56686128 35357060 83385256 59105168 78550072 96568032 47223588 59896808 45599708 48166492 30132588 70667216 42408920 45538296 29372720 31465310 43075784 27462450 73937176 41931168 38533300 134973392 56257160 57012856 114799680 77576216 95214304 41760892 79711728 76354344 47426300 55650792 22765688 51902744 44095392 22239734 38265720 55749712 22280538 38269612 56627524 80415608 45718864 79038664 84883416 32981564 31130060 41370968 131975296 39491880 33042928 58703248 70802544 34892492 110306248 49224228 65597572 104618000 28432992 30749980 83264136 64103192 42639140 85152504 109057920 72461928 56663188 62959944 65345208 90690328 90203144 59091076 125766824 21089640 35512240 46033572 90302112 50635668 49487900 16058103 55098360 70827616 83603904 63288808 65359324 62714476 41896752 35817500 28892594 46125016 68530712 69425136 94913008 18970046 27702198 69463584 78062752 22212880 84664088 51908560 89631952 120057816 19549996 76165696 89306536 106345104 94237856 35330552 31984364 35200200 83531424 99370624 28250700 63597148 40794964 54236848 58727084 62986216 35369664 30794910 40282840 54515524 56817052 59634732 51587824 26665808 71239520 35559704 50538344 57109780 74462856 25179612 85283600 42609332 23230716 11651242 50713040 46698588 30546062 23899030 19840586 74653448 64666472 53397276 19024542 44559912 82449632 56754404 76217016 57560696 34025256 52785680 67270464 73354224 73362896 57282436 28162106 69007648 40804896 70855152 96869392 25783412 54211444 43064896 112804776 59703124 96351256 41343664 20377422 55702508 143474992 46900044 79258864 30416476 102728872 78478744 91065744 20253052 31761112 53371864 30274868 63098460 33096612 docosadienoate (22:2n6) 1296500 1929419 907143 2809081 1251667 2986057 1303205 2332213 1603687 3958329 4895744 2635889 1158366 3735738 6479205 459567 2081124 724175 3173810 2155559 3326596 3681310 2111767 3181504 1156947 2061163 1351365 3113598 1734947 3184813 1422565 2892089 3228697 2404021 1890606 3215018 1612166 5635839 2813834 3053001 4162726 2732586 2250444 1866446 2721506 4077515 2085384 2838455 1021634 2260357 2491334 708010 2068993 2327732 898697 965257 1947232 6432262 2821709 4477741 2532978 1335834 1091666 1029391 6076495 1293800 802239 2015921 5793191 1763477 5141311 2271975 3393780 3706111 484293 908339 5333892 3350255 1709561 5295461 4009095 4573341 3960577 2561964 3904755 9312654 7916844 3288020 3419446 925339 2144276 3379757 3823303 1417325 3420202 1079133 1858557 4499763 3527931 6365419 7014337 6477786 2431098 2810010 2490224 2534760 7315776 4739332 4910653 1036256 1848928 1833480 6756988 1752949 2831376 2646904 6459818 8468421 2443585 5715389 4572171 6644907 3917537 4051474 903126 1826920 4305467 5949230 312088 6941596 3348409 6064026 7705163 7820009 1866658 3554684 2408454 2881628 6340292 5991155 4220379 1347237 5726626 1827796 3360464 3836312 2257167 804587 8241074 3729187 2684403 768443 5361678 2054430 1056086 1167284 1168846 2948116 5154939 3098835 841897 2773764 2009067 3996170 4595241 3246454 1084379 3665416 3395237 4045567 5989293 2033265 855561 2989005 2239373 3993937 9565022 1688217 3583527 1254775 5613546 4595584 5666141 4310305 1400052 4302466 8095866 2462830 2817885 1367490 7508641 7269481 1747141 1175298 1464022 5593547 1291328 2153409 1351239 docosahexaenoate (DHA; 22:6n3) 87487968 165875280 57907144 80904112 46065092 46827008 54683984 87567896 44785312 238599248 168303584 92183752 69503568 184248064 221802576 38473868 66563500 40801652 187143120 100176072 99269048 349992288 109094024 185289280 68660920 81171368 98510920 79524768 115260144 86007392 77678336 109064696 205095888 178526528 185728544 61784272 64085448 432892256 45877252 103321152 313368352 80279824 147807040 102408264 222319616 311375712 109151816 172552656 81752552 217551888 59411116 44280972 96179272 164292160 36814460 51199880 100987056 243432816 106467176 161748880 213312224 73143784 59105024 62214772 173783696 66380980 67651912 101237376 244189264 76539760 146851184 102382984 115651784 84666752 65166008 53877808 175733808 216000080 119859176 349226368 121356216 126158376 138243024 94252552 179449776 228355984 189028272 198424528 89575104 38804144 83140712 164873776 238113408 44170688 111691520 33374788 81850904 271453856 118816520 221253920 559177408 227968176 86466472 74368160 65903960 74812416 145799168 93764552 212147152 44266284 103313480 73583464 240583984 51849008 152185136 101117720 155346608 229394672 66935708 258177152 142478272 225148448 125604360 188215856 39231716 120856200 336702112 121236992 33980892 111832344 87229896 235976976 159002208 459923008 101350904 58096224 149770432 155503280 142488752 124418408 149821728 43301660 183478816 61943652 156690944 194000032 232668000 58398448 349166272 208687072 71697152 43411572 144324240 90695624 54668940 48537480 35977740 140448288 158236256 89527648 39264324 119786072 84958544 106458336 247920064 127376680 60701944 86911768 168450720 166433168 166058048 122482096 64537736 64755988 179533920 164742480 192658608 71026720 203722368 83706720 81215152 109870792 130008672 62108360 49712100 189237808 166910416 141748960 108711312 47474672 138876272 212809568 152912944 46840424 34184184 188482592 84940504 45667728 40359188 docosapentaenoate (n3 DPA; 22:5n3) 17776750 17392980 8709275 11250454 6865659 8761422 8117578 24609488 6793564 39391096 28227950 30868060 7670636 30533266 41982568 4928451 7686227 4919739 27591484 12013805 12758336 51783884 12180273 52077200 5783628 7522229 12538269 19302666 10596443 11933365 6645715 25080000 28807466 36070152 29380260 13758568 69316352 9519126 11872771 33788032 15016320 22889356 9832919 23126764 77176984 12479685 25113962 10004648 31485764 8264233 3831789 8939494 17861638 4800610 3952770 14840843 44310532 16466098 39508720 34928536 7029389 7085628 6542210 23179650 7772848 5169899 16399826 72278344 9539307 30722066 13682548 21819844 18325984 7037496 6091445 81598904 52165232 16742519 95895080 24392806 24441252 18459776 13229315 58217680 57646712 47519588 35629628 23369294 4544153 9289107 29780306 31335172 5735769 19514926 4650860 88781752 15867000 43857208 117051432 53378792 9253590 16115836 12410017 9658903 58094072 12683270 46224060 4757589 14178958 10387376 99690416 7535704 30139800 19629932 34280524 62518620 8800009 75078064 20523112 40990796 24838994 39710168 6902817 15665268 85133400 25694602 2574449 13101633 10687350 54511984 29187784 106649984 15415527 10678171 21003544 25157378 37204532 17767686 16610320 5748476 24567640 7994591 47105764 53452008 17142906 6088943 110269392 34657072 9198065 7060650 28562714 9194696 7629504 4231323 4316539 17958884 19439352 17267942 5203979 14612000 11054629 16907580 75002408 16982942 6838182 16092731 57076468 21412394 22935170 13484172 8516747 20844148 34254848 21968436 82439784 13015845 46482808 11642330 19035340 23932424 22447916 10441028 5961746 29567940 35067932 37172956 19395276 4396896 29469160 51543284 14863053 7778351 57728968 10827862 6756111 7336368 docosapentaenoate (n6 DPA; 22:5n6) 9661597 4730186 8796661 7351666 16461820 12400145 25597334 41509908 28065940 15779401 19612600 54922512 51428848 5302193 14715779 14371231 30696860 19677856 45267412 33306686 18278978 17015138 13641922 7351319 25099844 17954672 20813390 15410456 15417852 23565894 16184021 21944866 60120460 22726268 23577524 23652986 29813488 36061356 9990301 33357776 21560888 20933028 6840040 15800756 16987146 10419714 19018654 23575718 7708085 12371127 14290542 43251400 14491539 26657672 24385526 12348548 4503670 14846944 39567916 13708751 14154837 19264834 12603800 46837536 13266308 26223678 39339780 4352797 11682969 14742102 10121778 36158508 34002624 29947944 20201412 29650790 30233190 19346568 42110956 8225663 16689866 15290337 34922872 15506935 13464633 5135871 29515684 42339056 16374635 11374647 9663353 8767508 16203956 50212404 21487132 5575870 14067739 21175410 7660914 14365099 18937614 44935112 32847894 5069259 32683198 29341300 25932604 13236139 11221979 27858680 8042650 24993922 14151983 15172668 13355115 11096587 16009440 20381510 20545406 26673902 24145020 11859712 28457266 15112516 28701664 10323989 10566318 12821798 5513204 25762180 17043458 11591811 11385395 7103388 31169712 26040206 13969694 4888957 20626376 17954672 27523880 25640892 11396543 14033091 22240694 24255070 29777496 6443675 27638950 19489574 7884732 11857437 26138940 26115208 50837480 15530712 6246424 22751810 48770760 26762320 11411270 43453764 24504388 24594600 4272725 23335944 8514319 26729504 7532073 dodecadienoate (12:2) 3076618 7475755 3657127 4759778 1897014 7488794 2764084 5849930 2675261 15700822 6708956 4937503 2873620 6793761 4902397 969952 2048123 6298048 2748744 1967572 8235011 4578647 3318133 7101914 2255014 4128851 4987296 4003183 8949248 6840197 8983879 2679455 4283112 3269384 8896959 3527074 3050356 8092280 5328311 8038809 6671671 3066358 5710907 2246958 6389627 11200201 9164288 7549284 2427163 2587300 7379830 2996016 3102307 3712705 2345341 2647108 3406450 12343945 4780933 23011246 3874565 3580329 2789868 786769 2158635 2300650 1645616 4439761 7306226 2846214 12129605 4166185 5744587 3690439 266267 1640029 6223160 6300548 11626221 8054102 5439135 11818447 5054275 14224167 5766037 24955204 13905443 4470822 2703765 1535249 5705378 10655016 11810834 1285198 9183278 3799724 2706050 9877956 5673066 6416550 11288166 5685188 2420870 3466251 4819956 4301803 11089346 3386431 5542553 1367669 2572219 914780 5571081 1107419 8212704 8852835 16047088 4845322 4488003 4300607 6594757 4338106 2457276 3494983 1075315 4813864 6100665 1960517 901482 6112471 5972771 4148004 3085777 5396538 19260516 4151807 7033437 3871769 3109450 6049313 3697873 2462638 3532067 2763973 4671967 8856150 2088282 2371198 5804668 2234773 4184876 944994 4730976 2267207 1155725 3267622 2478341 3892945 3044401 4939128 1136436 6508620 1506490 2092981 3425934 1511014 1348100 2619316 5583999 6990023 4474612 1543172 1843833 2775585 3874667 6696087 4935383 3196985 4798397 2259253 5280801 11519384 3762530 10678770 2091561 22619146 16371517 6490947 4001027 1018931 5927290 5104758 2432163 2055986 1609082 5489149 2215243 6250913 1984708 dodecanedioate (C12-DC) 906029 1862452 1046853 2588920 1533133 2165566 1695539 2190111 1757454 923650 2039116 1511400 860293 1755894 6109988 1069352 753474 1507203 2022146 2109928 1428645 701705 1012852 2050352 741874 604456 1094344 1063913 506591 1218224 758872 2328309 1168752 1954346 981156 2037861 1954148 2954310 1345337 1564041 1596775 2307340 1565523 991967 1495278 1074781 4525986 2507998 1334508 2350676 2000738 2266240 536205 937885 515289 1223377 1031302 11900273 1744389 2418703 1082497 1618148 1142280 785567 1434282 670048 852668 2013855 1520701 1114614 1993991 992423 1216779 1034061 511325 819601 2851974 1440616 1026397 909533 1252476 2705060 938892 764570 831852 4346572 12541554 572380 222965 1633378 1649909 3592100 2930002 1649301 2113074 627968 1139322 1942423 1942295 803230 26373256 3562791 184487 894059 546421 918950 1449081 788738 1326810 112636 266502 5864938 282660 526894 371153 7523650 1010891 438603 1628797 779644 772264 256635 702867 792174 828770 4467231 721150 919978 827091 11142760 304751 511473 600102 673645 853018 1829043 827767 425007 1567537 458038 820130 421980 352671 562523 399868 855446 300416 358768 686759 569426 556725 1055697 447193 1040738 2200581 460698 234472 442584 379372 722624 2721836 531690 382710 1053003 1220438 2142619 1425404 405481 467074 380685 336925 495915 527360 621997 690148 321913 601986 778675 1459294 190444 454381 773889 5139176 293357 339544 981612 762634 10600456 351599 551725 406060 2097653 351413 977888 354419 dodecenedioate (C12:1-DC) 199574 753406 446879 737438 364234 2273141 77298 729791 431872 868687 1001509 406743 312265 327176 1694212 166638 227848 770773 597222 476803 1008060 303615 457701 840505 1621261 648010 610224 370055 346012 563459 815833 1981767 281545 587753 298407 556967 177438 1461222 304579 1363514 753930 261988 321109 253404 405200 456713 1473791 651919 153914 247940 360676 211486 133533 63206 198750 357590 198747 5030991 965074 1632884 160827 265889 127789 172339 353462 270317 236470 600805 919596 519551 1323873 358633 547328 381119 145847 379840 1350674 454824 268435 466584 595510 1642860 676647 488657 518291 4938517 5077585 299895 313580 246152 407195 1861881 2032576 558663 1604920 371318 190397 875086 463296 261559 8319853 2167598 575192 633251 553927 690801 1002267 311606 1735960 255764 217867 288178 2580017 229989 493213 412140 3698356 583228 426658 644110 937501 584760 452725 481723 194599 664022 587920 457113 220239 1264658 671982 755671 598510 2700747 347167 1182406 353386 549904 561027 1546098 631293 312299 843912 301356 506255 935036 246778 203461 444828 515344 50934 163500 474923 322857 332541 706416 296834 642660 1047608 597542 195470 352806 173718 516100 851508 431456 125054 825117 658414 2231099 1768545 254324 406973 259661 409917 797139 497269 409055 693529 314641 687338 761246 1058228 490335 205940 860998 2264920 840653 376807 202029 651264 3185144 396987 464588 46790 1056599 271169 938154 472527 dopamine 3-O-sulfate 1537795 715143 749981 1167130 2918089 573337 295194 1070528 604517 724783 697554 802351 843206 916938 752052 958335 1493498 746363 854614 1534016 556946 956145 396717 1000912 1935074 1741395 1621947 746352 663327 814674 424586 993606 1192310 733730 1297405 1336293 779237 963491 958516 518183 761664 516692 315083 542593 658202 514106 519258 553724 667307 811499 1694994 623715 1534135 409314 1524140 570121 508175 472496 602629 599510 626843 898362 635967 548735 767013 211842 1433878 611118 438165 749003 629416 384714 838913 251130 750481 1200152 728225 529351 615964 955541 790818 664417 1014547 866019 698323 518419 1075083 643974 404852 1040793 890219 184883 1304386 1178788 1094504 858645 681106 225677 4826573 923296 429384 397173 845749 1051242 472277 607414 345622 400170 969601 949521 1636103 489592 408017 611279 752087 475901 329572 713857 426414 918702 288764 433915 368572 659210 1041218 1757438 538484 276512 1256832 775144 359249 463655 994434 405400 968621 872018 510129 1201378 571115 529126 410390 1114226 379789 562765 421950 839316 672210 1173275 682025 544948 536996 770068 398022 449527 737417 647302 845833 745904 536280 648598 743593 1022043 634610 432823 234338 401166 852747 632625 306639 508005 534837 676718 813816 256005 540312 542642 315792 393493 2155175 1317047 845467 647829 500072 579451 1152679 228964 610219 782104 618652 1277009 374693 867952 1539416 1091164 867489 445355 1317756 675799 909932 dopamine 4-sulfate 223237 93977 88643 149995 519331 65602 32837 102772 89680 110129 102708 119460 91875 143389 109224 124136 189086 94833 104123 247955 87485 172066 60335 152080 439573 322342 252588 92556 175059 28410 118845 161419 68913 219796 151552 68477 119313 148062 106487 124200 42424 57029 92269 55803 33004 74866 68485 64668 228346 157865 376177 67021 43669 51881 58669 101986 131170 69219 81837 87676 229531 129434 79620 87026 90225 171974 42097 115438 163022 122306 72418 88330 154717 124614 111606 186839 120538 132582 196568 175485 140118 121187 226521 181110 128942 142312 785443 158723 80832 52196 153738 246339 76945 34990 49841 177236 208212 304781 83300 77507 49191 78386 84077 75791 86470 214588 48926 96891 174417 387977 71191 202104 145466 41911 269683 81924 148926 135033 82817 250375 92890 69438 47605 180234 70146 156670 52342 151575 97845 215973 128252 105398 50537 123146 70429 142563 69452 133802 49970 120061 111606 166107 153987 38604 133240 106782 61366 65419 61681 206052 60383 39125 59739 351358 175990 80230 133295 76703 168040 53952 131906 109509 171242 69193 195365 253587 243876 116214 88569 280134 114206 81548 eicosanedioate (C20-DC) 776121 798005 767321 1371309 1307404 1662769 793069 2377600 710442 918964 723188 276234 789597 1052508 1529545 1109427 395348 1447369 1026100 707863 810903 562615 777480 818297 937159 523857 602039 542544 1553807 955914 1878917 949235 446130 906224 723639 1279425 796303 686918 1405792 533058 635147 595917 722985 833631 1244883 1060696 1464763 642406 453434 1170201 770589 663450 495362 660193 985008 1039389 508744 1032131 754934 781390 869016 524571 598298 380920 801298 315697 478021 1160951 1075627 793692 761764 940710 843644 749169 714112 1016953 793739 668314 629152 693652 609135 743431 456246 1515195 866233 1145041 643690 739721 626606 651808 964267 719500 859957 896100 1351683 945519 619014 1088147 779609 701359 924473 1052839 786187 661462 735623 702819 648679 727853 1007845 434890 624537 720847 664214 617917 798272 524129 1481155 959330 618630 738287 730749 582667 737640 597063 441838 943712 742017 803861 926164 937653 924649 859243 570432 748898 510911 729476 781155 567361 1397049 848763 681645 561657 732094 1867693 779078 730663 835274 711167 631173 628588 797990 675499 889308 595587 612284 2346086 562694 656668 930880 656699 488511 745146 863869 386524 746694 539737 577350 744979 977707 1172846 983844 785552 560936 625771 868934 686448 635930 573851 821396 512816 772993 848790 575444 798129 704537 1039464 860170 730400 530235 594528 474820 643568 715084 872486 586568 1020874 504208 789078 661021 eicosapentaenoate (EPA; 20:5n3) 7237756 19396136 7027184 9053646 5945931 4242913 4398516 11944197 5091655 19936042 13698690 14953282 5410436 19345642 20837404 5212962 6965186 2692892 12297761 9288268 6441747 69148648 7826445 20651158 4400918 4428976 12061477 12400117 8330903 6110058 4361955 16579900 18689332 21975492 35707272 5534599 4743854 25204996 3865806 4416528 14815139 9581377 10427064 7751333 17735586 48197212 9452324 14925679 12766464 32428034 9814405 6546248 6447710 15257737 2778002 4744560 11811814 21895650 9420246 19909738 28625646 5080564 6081186 7085748 14611697 7984392 5867868 10879401 40154544 5959920 17611230 8096482 8432098 6365997 10828281 5213148 19970374 42509964 14135650 43736520 17427706 11741218 14092801 9204740 13591432 32483328 21343820 39643136 18927320 3811212 7597254 26200144 24970586 4627206 11341480 1960414 6553595 55900088 11015061 17960032 84811584 27152216 6719213 6819724 5130538 4213687 27876956 5227066 25080634 2313258 12336253 6268327 21140348 6506711 23666924 10809051 14081810 21847500 4342080 39421516 11784117 27155758 10747564 19642248 6734866 9610334 48543384 14100217 1840371 12525907 5193194 45119060 11933330 65354872 15199021 6241077 17792846 15545321 28424700 9647334 6444235 3958611 15422454 5084955 16783974 32603192 11734390 6073758 41656328 28330890 4737579 13612002 17032680 7414613 5650953 4573158 2513239 14171595 16145955 10037964 6909573 9021464 9985252 12259474 45995464 13194096 4661623 15361990 21968972 14051134 14312619 45068540 11627329 11371063 18939738 10640025 24231278 7672606 42205984 11420923 11549904 8506170 16077733 4310568 2650918 19842680 26667208 26553068 14237271 4772572 12355208 20781636 9405744 12039902 2753205 21921488 10675166 3308996 5988494 eicosenedioate (C20:1-DC) 1069505 1364575 1772081 2530469 2249828 2661328 1931472 5246911 855838 1499372 1085760 701378 1137483 916068 1504604 902397 902277 1632788 2050848 1422529 1211470 807838 518008 1116000 2547121 1127605 876601 594726 4577636 2128885 4486466 1273179 686701 1688170 952644 2765200 916963 837687 939695 497869 660685 701161 898100 1024077 2320355 2640487 2545034 1138666 911765 1176115 849088 633622 822397 909546 2143786 4957644 873319 1638926 2151587 1530373 1427258 622448 1025701 334286 625927 358030 943136 1003890 1127242 1197213 1797964 1065549 1024061 595309 1984810 968815 1363476 1977374 1917577 1487658 749516 808237 729463 3492480 1868552 2998608 761776 584608 659413 1833202 1879008 1043504 877727 2521384 2522720 1959625 782521 3105001 1033247 1218557 2167213 1677391 1307787 1794481 1333082 1568979 1577838 899692 1560632 709243 398712 880396 1026916 2379201 733296 1352880 1534946 1178887 903411 1178280 610779 576080 659280 941456 1759964 1618261 881409 3076399 2360924 3084873 1124449 942663 1465701 1249186 976534 504935 952330 1723247 1213288 816990 796404 1076342 1200902 2460835 2140394 1839342 1341635 1114745 1067447 1933250 852895 1405021 594513 1107044 4698006 637248 819802 2551791 1144583 1028604 1179211 1066639 360271 1003034 732022 944461 825716 679667 1470473 1045495 1173358 1713898 404484 2051404 808861 1288513 1093042 1958582 1075489 793982 859989 502911 1575716 1993260 1485222 899512 729969 760531 784747 927348 961987 1333268 1747387 528128 999009 544496 440621 1445779 eicosenoate (20:1) 41729880 42919532 28840866 218049904 28147906 89490272 45011272 33648948 39771676 148323200 213585936 75991360 21778740 92978744 233839328 9504144 55072000 18733442 43499360 63251900 120528568 64372620 62036712 92130848 38380596 41581340 25444878 95071832 48754564 69405592 27443772 130514640 135775296 63716588 59038332 97234352 34928988 125912520 66128736 154512736 178900256 55560088 58000516 56917760 65837864 108731168 69530432 97406496 16288329 67742416 86813296 29112332 33246472 68334904 17395086 22479968 55951544 251113472 73470752 98666088 38452352 54165616 44810872 19112258 175188768 53102824 14052129 92427328 256587232 58483840 156708800 70610968 250278096 133076552 11951449 10871868 176274304 96560216 24090766 190805856 134731392 159085552 132196632 51499144 117085736 264161872 178529280 159207440 100544032 14993598 50322956 106062984 232012976 18245816 102926320 27067810 29323402 93118760 112096160 160100928 234380240 233921040 56425732 89047760 111347856 58243320 293499328 154342624 219378512 26327042 50162020 45631756 274807072 30239156 33809344 83747336 244927712 155941552 70881872 206799760 164758592 300790240 131899216 91219720 19588060 68736608 156372336 215199632 17748890 287460672 89733576 148381712 279095200 321619584 62152456 70557736 88464640 80879128 167967312 161999152 158968192 49449384 173632064 59315888 124527344 102101600 41777856 25279872 220803936 134542688 80021032 15651459 126303752 93075328 20771104 24135006 46748592 97032072 143200864 72255808 19606424 106832200 38623720 110732920 145166224 106341192 26802884 106289816 147876528 143084784 188661392 94938672 38649656 128130048 57596756 97807720 221471136 30398060 81659176 35222956 110382776 159808368 188206256 96922280 24698660 117347712 259701776 85398664 80894016 72455912 262476464 226699296 58111092 21551554 21091316 314481472 37367020 104769336 26059668 erucate (22:1n9) 5957959 5978886 4382275 38035544 6170230 12201552 3144107 5826247 3579414 14171908 15051506 5369429 2466664 6960957 11872271 1430695 5169409 2210352 6953933 7836906 9896481 12718966 5663067 8223955 3429536 4652288 3324315 5898409 3436501 5950508 2006290 21097226 11134330 9904682 14109205 9115476 4657945 13145179 5068717 8316459 12063972 4577671 5345045 8854451 9961006 7843473 4867041 7635022 2340254 5189318 40693752 9381951 3366666 5316273 2363744 2927543 5437867 17598084 11560081 14608284 4412647 3141897 2874291 2086492 13492275 4260696 1861089 7144443 14750203 6203880 11786111 7581594 12144558 8956461 2547959 2498637 10483533 9107388 2238803 14109929 13406032 10148364 8551151 8073111 8372250 21705672 13333967 10316568 7250873 2741919 8955985 5781758 18704270 2773005 7931195 2321889 3751335 11495790 7134500 23895084 18634764 28642428 6561715 7986794 9573621 8856402 16840550 14581520 16355898 2809651 5207145 4055460 18213412 3412937 4007145 5862510 13534839 13226720 6055563 13005988 10054455 14728952 8361804 7957567 2350115 8126405 15628769 19094412 1583091 15002294 6138267 10666211 25648766 28159520 4695579 7366545 6621633 7224565 17379348 12065901 11483027 5672484 12049829 4874479 7988212 7541230 6496987 2547582 15643323 8921566 7316299 3237112 9358097 6517629 4483658 3395982 4713260 9519452 12408247 6894656 1993636 9461725 5144912 8062684 8851586 10374107 3551556 8000490 11304334 13421369 13563572 24436862 6549853 7457412 6231783 10561493 18105142 3396154 7086411 3529830 8143335 12226728 11588440 9728176 3979910 9699518 12008665 7114417 6275280 8003100 16320274 20002062 6605505 3475691 2384639 18449290 4240174 7675881 3543567 eugenol sulfate 74842 21659 137858 367152 153764 134394 167260 34575 129729 61005 91206 336977 31151 178451 88051 119707 139536 164781 25245 89780 83020 319099 279731 90352 21106 63501 39141 108858 432480 92427 281823 71018 111894 128646 88825 278202 71639 83311 17633 167722 21604 184900 68146 548653 37770 88718 104341 164583 46774 41699 74012 50762 48354 32824 1518160 43594 61774 40712 96029 1825730 420181 303619 29588 19563 2462083 55121 46695 105638 494157 165942 75242 216496 119591 118988 214529 255265 33239 93537 62025 188333 20500 221742 20621 1498554 39105 411851 38792 105598 96981 32741 120637 93532 361404 46736 90743 153419 30815 52210 58137 380476 117533 68678 86319 29812 346763 151016 23028 114646 43728 113662 Fibrinopeptide A (2-15) 253485 577922 124757 130134 204146 277171 943786 615785 487504 611618 446026 400076 272961 783439 703560 2237759 379680 275927 571220 841381 641955 925957 1158808 803292 455668 317684 131013 154062 604667 419224 495330 237077 91727 349621 179027 456627 615754 219145 477240 151004 266559 934929 469231 379761 668222 757766 851088 1224071 1722353 166690 425680 1013092 174864 453038 683744 197994 850824 462926 600140 1040776 258314 1868824 318980 438208 617288 945167 336225 567151 1198478 607207 1330741 616727 1308874 539215 2544287 766039 222775 851372 395933 279713 585722 448283 314934 179953 649634 735667 1057108 615785 2649016 793581 1979970 898072 4139306 2235961 546026 105618 2434303 373865 94028 1788421 2509311 220212 2736244 337729 1222866 119893 1752123 1955269 1839662 10275332 590116 1531929 1651266 2685280 2189898 1914021 4688657 1505299 750747 1605914 1858411 1491488 1032349 2450735 2640508 650860 196614 865483 2005158 1845842 1846855 1799020 198196 3224400 4245809 561370 1242434 199942 655341 870316 593928 468442 186294 108161 413853 276492 338073 67696 2750538 52160 1788020 1029404 263580 2996540 2227908 377215 612422 1105506 2648437 1043055 275773 2202669 111095 Fibrinopeptide A (3-15) 111059 127658 122294 63204 117912 104364 107685 300280 136506 77704 48438 174259 119314 35921 108757 85421 75647 259551 181590 110197 864198 51140 73083 161533 273321 77390 402062 377224 406230 92470 289844 44973 54854 132686 135676 123547 229362 43800 54775 105754 126958 55287 32642 55832 295755 103818 268871 227273 108966 179058 293280 313856 66064 347678 85952 62417 539374 172264 371559 72138 96292 322298 266426 590066 88469 128225 148223 306519 92632 108313 573604 134287 366045 260683 203467 107129 1100399 158563 51789 354717 51008 56631 55791 41616 111798 25711 117490 133631 230643 158717 815390 357477 580283 31736 910117 39267 971300 662782 366056 65623 738231 837626 675258 879886 249823 652734 601267 417436 2092907 115253 284447 777774 1070012 619699 490770 1357670 250843 101749 447827 450475 337604 129281 797054 1085405 55042 62811 489748 521970 744007 507329 370634 806935 906871 238208 271100 56521 153720 115117 236838 56995 655957 517882 285610 69581 1088801 327429 61028 554908 349411 200935 836153 453228 72573 726440 Fibrinopeptide A (3-16) 38223 137389 120796 101189 173802 83961 88103 64133 293414 162787 157238 239944 147352 178254 114917 129629 123236 149921 131411 300329 265482 381829 416748 370615 367508 289656 252543 405769 298380 277745 205242 112049 112084 150253 100822 60084 94256 114586 105401 202515 72899 25720 113121 169499 95289 105891 92294 86455 83577 459892 115471 450049 176656 127126 259307 241979 402654 78966 300315 328788 334292 253585 557545 422976 72661 61791 414956 258672 283340 310721 219510 391040 149862 149016 228579 267891 243174 193512 393257 323795 319911 244238 408751 386238 551877 330839 89584 234502 173371 86454 77973 63989 109660 65807 590878 116830 96509 998745 1972294 985636 1116467 1118222 2218581 474735 285752 1239447 670918 355553 1251834 184933 572365 878330 346127 1324219 2230917 320156 1981641 742725 1228649 369773 276231 2053826 1582841 201576 625667 986045 421571 1089806 1126945 972672 411334 188144 254357 1080599 255758 1695922 925643 1319478 449823 2967136 236979 652802 256528 546191 287317 712349 996310 591026 86036 434990 1019570 294069 400758 311769 430341 1633107 279363 264836 1001455 Fibrinopeptide A (4-15) 52148 88660 35085 45425 112493 280475 158016 159455 47355 82390 81739 94912 62156 39524 82622 88020 169763 73969 56482 67786 141764 24183 72667 320728 401061 125690 48840 117889 83578 75136 51074 63285 224775 46877 78252 104002 128366 134828 140233 244945 109918 160529 319928 311424 60457 91694 56350 29458 13777 565409 97912 66812 596658 447521 255497 375655 431809 478208 263709 127140 354722 309163 188215 247044 271669 174471 339249 595705 1686701 215475 1295387 730465 657448 480227 249667 424820 377746 121986 171702 309555 383534 567942 347119 339666 59280 328882 514711 257072 182875 340644 379052 221631 1010429 41411 400190 160364 169216 198200 317589 321138 249284 618950 299924 34056 255730 113315 148791 391585 165290 31809 437943 Fibrinopeptide A (5-16) 46285 104382 92105 66490 101767 53917 78385 40705 301553 258721 95315 353913 169807 130862 93668 76261 110525 122412 121664 453437 481594 835538 469354 517894 540386 492503 351865 633237 548162 367439 156139 136592 128930 97809 78688 16045 44143 44961 91707 248177 46236 94682 206235 83621 114897 59222 71576 620243 75860 472149 244025 168207 289450 337080 536385 59566 360286 440953 647227 345335 1080377 559623 90412 61655 467500 286237 284949 444859 395896 546178 137949 94533 243797 293660 373117 219710 466316 327496 415219 271330 547908 530091 761006 503031 116940 138804 345128 41974 61448 63754 35887 53644 886063 170938 92533 1147174 2664585 1281746 1535829 1872969 2627961 800301 279094 2510520 999572 568417 1881117 204049 1242545 1599075 343198 2021730 2359622 375444 1928386 1802491 2053550 515987 379202 2567215 1314088 172433 1466650 1389045 558445 1569470 1833371 1207259 383744 250805 318908 1228982 381961 1661620 1389721 1758579 863682 2061238 253910 929878 381228 915681 339826 1543841 1396172 705392 113240 638338 1889372 330832 515187 251414 591475 1980274 358106 168705 1832329 Fibrinopeptide A (7-16) 30245 46408 92289 115332 304977 95673 152318 66130 124158 149702 83207 42908 27560 470780 33449 104931 118025 93949 151372 211262 345602 59758 148457 330195 372474 224503 206290 96566 58109 287031 215130 214341 64982 177354 176988 342135 400005 424987 191148 120317 173364 698993 44507 513466 742376 754325 408945 493669 835053 202549 172877 796830 292015 224873 663500 425296 565495 572728 349517 248340 932971 387106 523056 331143 303160 788917 457962 460258 282047 188859 422771 317971 496487 89635 243016 775304 215211 631648 787092 859310 232789 808122 680586 250838 305859 385951 978677 194141 482912 565303 145411 1188447 382915 Fibrinopeptide A (8-16) 82897 36474 124756 103934 150819 320357 232357 267793 198215 136074 214293 83571 30569 340034 57103 216512 134634 122672 265811 28490 73856 102759 532275 574942 72516 214674 194742 117881 299775 180924 265374 96724 147192 205357 225455 281223 284399 343084 104568 241466 24693 310459 46613 364464 545395 576073 738746 471242 866929 216304 102210 545045 351831 111395 710071 188747 385041 373536 94279 242701 386536 296034 373446 186280 187942 541460 233784 156821 313727 74738 277937 290470 442645 103619 71082 92023 315235 93679 151178 363652 539981 288058 361572 608571 178986 329556 136704 545045 255356 223414 443857 105253 680212 98141 Fibrinopeptide A, des-ala(1) 415529 543861 480935 334224 238787 520411 211329 421998 46240 1117992 613190 788940 1613548 594753 544466 326553 605458 528496 665003 1016260 1094776 1247789 1361082 1414918 1264930 1502952 1439078 1048583 1788807 1008740 1367935 672459 454174 644778 509406 387925 247898 569643 502858 248817 948720 321037 312264 260008 472421 793162 346537 829385 308728 828059 310177 309767 1681618 599206 951857 873926 682935 1311638 1408719 1772718 394980 1030239 1559476 1135533 1171651 1526958 1378510 191036 576633 1329654 777752 1066551 1288512 567851 1599740 529809 905311 831993 1171252 710548 1485460 1047267 1222885 567805 1871477 1254377 1999481 1837238 242938 685692 961042 368569 446667 419439 148982 403566 246028 684108 2841922 707222 540925 3473021 9727950 4119428 215502 2130123 5758387 7180875 1227985 1038225 86624 5614258 426708 2825928 2116807 213541 5703900 666341 351962 3483919 5010021 1533619 5789241 11157843 936063 7334114 3734009 4343201 1577709 1193501 8518101 7190400 1006555 4565684 5077927 1910368 4941881 5823480 3603956 642957 1528248 717975 1168361 3894887 985664 9840787 5027114 6774509 1501541 8629238 171068 126247 1211870 2491610 1071308 1314340 221684 196425 95023 197399 244468 198028 351252 1174051 376155 54559 4539221 38969 4703611 1779646 350738 170195 1575511 6055067 1216557 874492 702316 1546077 6545704 961042 828631 5181121 97582 Fibrinopeptide B (1-11) 5621734 4396075 6256665 4312821 5398958 4634865 5060582 6874530 3239788 8136794 4511476 7585065 7075532 10582075 9721007 4597677 6562514 4573225 6153127 5052152 6322455 7198923 7422251 10642531 5715686 6412780 6750566 6145715 6728009 4039767 6239697 9068581 7785295 4697159 7558216 7914565 5198397 7532306 6815697 6340953 6111915 2943177 3854611 5813889 6679822 6855160 6601815 2991927 5975263 5809271 6906918 4724457 4406226 4470365 6459584 4373339 4529598 6354204 6000411 7263140 6579571 4588481 5699528 6756453 6523861 9383709 5158295 4054920 5467850 9511875 6266808 5033832 5213140 4835212 7810530 5835648 6398942 6403737 6809915 5041112 3699858 7126565 8461750 6933135 5668024 5531005 5483996 6164718 5613925 5383867 8930218 8166579 5927331 5440917 8963410 4827978 5296965 5391668 7077481 8222760 8016076 7475662 2170109 7260749 5841416 6809038 6330960 7642530 3833499 8158876 7249783 1192233 8891293 11088651 1313616 6472197 1069927 3779642 5238977 8637164 2847586 2476010 6163651 8661058 2105230 6758826 3023660 1981086 6518752 4027605 5994761 14384807 13044150 7924637 6805394 7415712 11313369 6973974 10157095 7304790 8537692 4354466 8200733 7173024 7724106 5610697 13632188 5457473 8081625 3546271 10808488 5484130 10493751 4974537 1428467 6976742 6049969 1243320 9063454 7353513 5446930 7579388 1298164 3320608 9490757 2796921 6680152 5233899 7359047 3462011 5856726 1748424 2218096 684414 1625018 1484112 4808674 6800891 2606803 1782893 300149 5472011 729127 6816366 6367608 5676104 2957426 8161647 10253803 9705240 8310518 6754232 1227317 5064766 6022267 8552155 8618140 7367198 1998755 Fibrinopeptide B (1-12) 902557 680619 817261 756898 1013779 557566 697028 750328 558628 1477565 1040204 732111 2123390 1435052 860885 881629 722358 579025 1201182 1038364 1381010 871520 970317 1091742 1149810 1292042 994614 684106 1117545 688866 1430502 845791 710531 920976 920613 684411 1391544 1189644 768132 579120 847634 921841 1262494 995951 1041051 1125123 1024001 485073 1193063 751154 756221 580510 900409 936272 1580754 1634402 1376046 1023816 767379 1130480 818497 965866 1782670 1172352 1646359 1309401 1160614 658439 984745 1958195 857697 671392 1037590 1107401 1467164 903292 1088494 1623571 1400428 1133737 810329 1309626 1394691 1242341 1343390 1076923 1110176 1267935 1422710 1006183 1282269 1348034 1105509 805915 1068967 788956 1192478 808587 1536603 788252 1521532 599189 486553 1001550 1263140 1155754 382048 1139165 362483 1755277 1038251 204052 783892 1217889 206550 1046843 393411 265000 1062882 1130841 253182 181863 379907 457159 253914 937978 284756 198959 1067145 268799 1531698 628413 1383236 1241236 1130849 1624324 2122022 1389822 1228784 455944 1055136 1223352 1515425 1543954 1372916 888921 1485635 2100779 1622290 251333 836106 1216830 870319 1085123 381315 1039716 1940303 471698 1587670 1584511 1120338 1961486 209315 367232 1478587 431453 917786 978319 1056057 377390 307672 305287 566710 92790 399326 392889 482358 991469 443140 443386 183179 923904 268541 1018412 1166462 771697 276314 1085729 2122280 910496 1429813 2311690 591184 1523056 1154974 1262906 1153525 1932999 363997 Fibrinopeptide B (1-13) 1056876 437169 2683008 168205 808789 860287 1107362 3007706 1390719 4103577 2674789 2656328 484931 2262319 2070667 331021 1027637 1098620 399128 1176098 2864151 4240803 5989401 10223131 5261349 3124793 1151655 1439539 1965380 4711084 3864998 4958276 2570421 759725 1650281 1301385 32728 762035 441941 2394526 1518518 76029 53011 99243 446159 2238123 907010 116317 2675517 597878 1680259 1551133 2547047 1137534 2819531 192820 425703 1302584 1052896 2065717 1099458 2165157 746279 2869594 1039248 10068798 5752082 526477 432779 2052346 3566722 2742792 5957597 1064002 1876053 1652387 986941 3922338 2492110 4149992 2679121 1726108 1261786 1734824 1521386 2025429 2589192 5491466 1627313 2031240 746694 2601937 1601386 391915 857728 1532059 262214 960315 246918 5439045 1275685 2319803 4751252 10100133 7004676 83788 9906774 7393233 13144912 6470364 1619469 7465847 105151 8330635 6437234 20013370 1724856 84768 2717496 6834674 4053058 7636365 8659216 3058252 6057275 3467795 4246458 3563749 5042717 11405183 3384258 632625 2457499 6805896 3574867 4469557 3810541 11235925 4717514 2840102 3212758 3662620 1213340 2037051 3256326 5312271 4306377 5137898 53032 378466 9422635 1326727 4480080 111729 212782 113105 136040 67196 4292515 133609 12922 1989291 22975 5110853 3002424 721963 32840 3137812 6064659 1959451 1217782 653236 2507956 8936970 1807281 5767560 1004664 71238 gamma-CEHC 410592 516449 851252 631924 446098 273639 643465 376050 135607 371586 160090 674129 267413 227997 616286 795730 212352 404741 298552 325707 310245 310120 606955 349330 498066 282217 395991 127774 660725 391116 957913 2249685 306447 684632 421791 326049 348543 77808 242267 332569 587287 357188 442635 663088 489872 400075 216718 638017 660615 348270 325642 349003 381776 826610 1609813 372708 661203 249695 596250 685003 179503 270431 249274 256290 285894 100187 450509 924661 469857 276121 179411 514449 209947 318240 207333 381105 402800 401614 1532611 167911 350945 150707 330331 220519 314602 403410 135732 191842 218076 712722 277771 234679 448686 486556 445283 933336 394584 172295 484781 148405 293059 505115 399632 247554 406485 323940 337362 138167 299895 112956 235698 286610 67805 277093 233885 102969 188865 255469 477542 366912 161584 149547 508111 274158 314540 309201 222992 207558 541143 323875 525936 311865 236619 441381 471488 315270 348678 152662 66110 315898 320446 527771 273033 602225 391370 224370 181964 565318 126073 216820 232244 354801 194197 367956 1945255 469657 295180 141682 240613 683809 313075 218296 156960 341384 268573 285501 258383 206024 436138 308347 213967 283061 332038 177168 682813 483751 190758 597665 373953 631076 182411 97905 240644 148832 236743 502414 216917 251761 270069 820122 274798 89024 938763 746052 165635 333420 730279 517732 438577 gamma-glutamyltyrosine 198289 161092 176184 304367 292819 168122 120555 230481 87435 133198 85734 121915 226126 189497 111443 153370 200494 124422 159669 308926 117447 137224 110424 127129 215916 169755 246589 187721 124792 148867 162948 216219 92606 122071 184014 226946 368683 159223 152790 67395 97859 148826 121189 168136 176887 208181 116433 135424 154331 118969 258410 201057 215562 185577 289817 247958 135205 104500 136629 148444 100108 100222 158328 35499 218877 74095 196217 168161 64660 165251 128521 136257 164211 80052 133178 152197 148227 97814 145818 122358 115757 130459 143628 185284 116788 102029 73368 98773 140712 173898 190726 102038 158325 123401 98712 115751 175103 106842 202789 107320 76025 87844 199131 271688 114631 323347 138622 108552 162280 84941 212166 222519 279989 24498 202503 141288 255104 299783 158127 135773 195139 168324 92330 168312 174668 206927 150155 139318 130022 109012 92619 134361 166793 174201 314132 137339 235756 307609 48732 129665 54525 140636 123975 173467 57134 248025 168208 196715 122113 103820 107966 118380 132469 159498 186710 341820 131601 223450 118961 163626 146996 131103 149501 261668 100261 134579 172426 120946 100749 169238 243263 234457 185809 142868 144031 124963 124782 142519 121734 290510 177330 102973 137906 107692 172846 94159 134396 143271 63521 321089 76190 65287 129128 136369 194787 85479 213206 130964 149291 gamma-glutamylvaline 187588 244658 162624 353704 282639 217826 201771 213813 102986 165891 153236 218825 216873 224991 342750 140230 204641 92413 178555 280079 246008 141737 151018 213197 191503 230000 299079 163312 189046 147439 190810 254273 110716 140580 217751 194955 311607 161463 184658 178897 232924 158387 214175 260506 236986 173250 213510 205434 158944 282725 285545 219577 162720 247273 322359 305230 197399 201622 203205 212232 102919 114567 184528 102307 248211 85938 194178 195824 267295 181710 199838 137181 202494 149156 209531 217249 187530 180281 325983 197066 224562 215567 187830 161518 170213 141810 177067 168099 205545 266416 126335 198276 190563 172281 176739 139908 240740 138949 294291 181372 348387 228599 364583 401484 148544 451353 234474 270358 523597 141147 189186 296013 512327 172501 216559 210443 351674 726107 207570 298492 404473 261051 198955 321598 272398 264720 428048 302198 105378 326725 153597 291638 401253 472920 214769 185864 225333 184062 223553 292063 322056 170767 354730 244438 177537 232791 241240 243180 231131 290221 267460 103817 408887 194171 246766 374654 184956 214482 295769 261376 155809 320451 262621 296632 258104 355558 191353 246357 158314 296842 655894 231214 265393 296676 367928 256062 446315 199522 419391 324855 306839 144012 217146 236576 153966 139367 168302 172488 129060 323308 204358 93379 215656 179728 216463 215076 236852 204162 124584 glu-gly-asn-val 1125807 1991545 1487878 413860 754659 815367 951998 1283702 699935 2268307 1617712 1611734 2719728 3008441 1852466 660187 613233 887548 682480 598515 1639770 2747302 2031347 4833561 2273360 2107244 2468313 1940924 2132578 1161112 2198181 2123452 1293144 1587189 1898382 1152897 586791 419655 540981 1097429 1571869 1560502 943102 448699 1130417 2259858 842250 1052983 296480 1343607 1053343 875064 705707 1284523 2559462 1701323 1703392 1800897 1760639 1850931 1568714 1631292 1770678 3300060 1779338 4776169 1693870 1395012 1821051 2241201 2857688 2274344 1641421 1362612 2192178 1636169 1900468 3025616 2527419 1813145 2879579 2983231 3611445 2146320 2414993 1758400 2601543 2211507 1897436 562092 1924577 1925839 1064749 826230 1326850 1254783 1131287 858028 2300769 2341654 3475301 2733092 24261 756145 896262 862422 135029 1358599 72034 1932338 1991519 3454013 2879684 56986 1456829 103046 114564 2037493 3026606 39713 25920 107872 2294811 2027763 61674 39502 2349853 50554 1022192 3097057 4001162 255029 2749965 721351 1920274 952076 2818738 3158804 1161986 245994 4471426 1170509 2137694 5618771 6550050 771319 2210163 99458 2703235 2243052 3700070 816378 19317 3580169 104112 46803 1086532 587341 2632375 245630 34895 29712 2568118 2784709 2815827 2409491 41436 67290 44122 43347 64287 111270 3879742 94682 1171927 804740 2237149 1829281 2970290 2956434 2255001 1899866 1809470 32630 1894826 526196 2157795 1912462 558564 109706 glucuronide of C12H22O4 (1) 110490 271221 300955 1014650 304901 630686 149794 901691 484680 37044 327927 118819 148345 1492588 549778 622067 943894 203148 92405 1611694 35884 550189 830828 1793256 211780 708799 97576 483622 349164 326382 693533 38274 310092 362267 255771 97683 99842 992867 210242 306836 241421 172576 45474 171858 197902 149209 236114 79203 207337 61457 360251 812514 1667617 2325571 186563 32793 63920 589595 59202 308808 61179 128489 150945 230758 112873 138767 44742 40930 364235 34806 188325 21034 97092 230310 475941 53458 71754 57012 45548 591521 325574 23591 153331 279221 78242 207464 144405 122710 469883 51884 glucuronide of C14H26O4 (1) 114490 472918 498738 3660076 1033299 2280036 365181 7105909 1101133 26228 371640 137026 100807 4218271 2132149 1021205 1986221 132091 96214 2815583 973413 2058063 4839893 177399 2362803 194128 2019465 885264 38151 307068 3477409 217117 656924 238241 153776 134103 1376096 555199 725746 652470 23910 250688 44023 42389 77015 228494 259249 53824 166903 970392 263149 665739 34299 427965 1528995 23309 2925446 8663910 329812 379912 25958 1249048 622537 50019 322214 53674 286451 524346 72414 118534 190147 55039 568182 180098 74972 30291 183288 32903 65786 240161 760417 39141 78197 80651 1333025 963490 64849 30220 322861 672050 92987 20211 460895 310003 66127 113888 866730 110752 glycerol 4262874 9711769 1963808 13495829 5509191 12531228 5820506 8642538 4433816 21458348 25641048 11869719 7939967 13900311 30027636 1841233 6487842 4641167 4925455 8390421 29633398 9475964 9371431 18013044 4850126 7570581 10218533 12404108 8125320 9180762 8901897 11727483 16463814 7995140 12652180 11252343 3452242 28019142 13559665 12172003 22307852 6504534 11309471 5181184 11661428 16221039 17152764 11425158 3110442 9884678 5569105 7753595 4074093 7808713 7471529 2914969 10234706 23034948 11372127 18063354 5097473 8127392 7834718 2996353 10123788 14198178 1597772 15651709 23836136 7183204 12668057 10539558 16292766 13636034 2742703 2661682 24385378 14797156 4621041 25451756 12562160 22253082 15577621 14122072 20890232 50101456 16655453 20577422 12966179 2443592 10482939 20253312 26394664 5383689 32900954 4649876 4012924 13305169 14040470 15178978 70115808 5379031 12434773 20901674 12545772 2804391 77074992 16102277 26339900 5597537 20918976 10611995 69429960 9407898 12514841 17315350 55326572 40828752 11253206 20109058 33476134 44361772 23854176 27877334 6904548 5023120 48165736 11617304 6976092 35760272 16015123 32799780 8106285 29352512 12987873 15612247 12277709 18046270 9191191 21836222 19959400 4263742 27386560 12318577 28029122 22882694 14442003 7627477 22138364 14671995 10117238 2869771 25065704 7203859 7078621 8755864 4242789 18763974 12759515 12294218 2094752 14613667 13496384 18447698 41330108 15293797 3847871 14301535 20517920 21479878 22013406 11386624 11987638 15542703 15161309 23754384 54877532 5241218 16295833 11419208 30443924 13550939 33270206 9988908 10535384 31963162 55210212 17986806 18955672 5987682 44367580 21244444 12068827 6450133 4343531 26434914 5432190 17109088 8045878 glyco-alpha-muricholate 410546 188063 572246 179843 222216 153073 70447 240719 123003 50254 118831 104996 149064 139029 44943 47117 305497 31119 113865 252060 101377 34082 78846 823951 357582 65196 458993 108553 75097 119396 826647 67877 157042 164028 117910 157786 374646 260079 38587 33460 112437 37115 314776 949322 135005 65276 75819 314823 125029 107763 213610 383996 339811 92515 120451 235191 97051 48369 74568 336353 131126 315284 22735 374639 157669 166314 69726 222341 59051 299211 289498 480787 136628 34488 151213 151212 103673 184065 92320 163976 46918 305994 46022 131074 81859 194077 416505 300485 147862 217551 230341 189881 376969 161742 145130 300198 34367 338824 313588 48156 169008 66316 149499 52044 141038 182689 90318 86053 352053 383929 361643 76333 171310 261069 56840 261087 32689 118489 148187 602327 170461 203776 541044 130935 84605 171840 78551 296001 113350 266515 207631 304554 355391 424890 479952 585064 57882 296004 233404 321170 484523 761820 331816 573108 439780 655100 58251 149473 195949 141177 208361 244076 139252 591569 106011 250625 223588 290271 434423 130561 248668 118013 62432 231405 318569 84030 149629 21038 128839 102181 287552 109404 255669 1524184 315565 290737 827120 302671 glyco-beta-muricholate 273022 305041 2784390 549901 1298361 443036 90320 646043 20140 209104 68939 215532 202337 166348 72707 44111 22430 502526 299271 173753 403447 182133 45453 232595 486696 276173 249676 1167208 145941 95790 168118 455623 2577874 40282 1195848 193444 832016 360661 1637923 116256 1002667 136028 703971 106084 1928521 45237 1969186 332300 250782 230299 108875 162897 51135 706933 1025540 969609 83449 196332 569865 55537 430957 93514 83812 97700 182375 1121130 283201 1093260 37246 39184 1227041 189864 964042 78229 661183 52382 155816 271397 899409 777461 566858 63096 35644 173223 655093 293816 82601 555149 259667 230895 150614 2523367 313943 20901 294146 1484207 691339 360810 841393 170329 697529 494581 406254 35008 749537 132728 265536 153696 28446 303329 139453 186681 82251 506642 86707 66713 297873 301339 674114 514618 157554 169469 614034 153161 980858 92236 54336 450559 526026 717168 147955 1899379 578120 104979 1296663 135182 205130 216240 1141860 631700 806688 1623539 1664725 1087800 144461 235069 136388 253088 1412019 1473798 1109834 789732 726957 2046988 187321 388044 275695 330671 1467371 818778 488039 155909 837599 196364 1374120 165008 762437 1114314 263350 372818 96316 324779 40405 612296 485349 80771 112550 414904 290596 410970 79566 318175 812488 337952 9938231 1020057 2330912 3456885 1857733 glycochenodeoxycholate 40044672 63818164 401938176 79880888 119688136 34097972 4106823 252723648 7995353 7733303 1805005 13834061 35471024 10252095 38367360 38284276 37586168 94161896 21292080 82971088 29458732 17883092 15523995 15305157 163017904 153615760 35023388 110906760 10006494 16679061 10583486 15567470 124257816 29526846 13044872 136183680 61100600 7380931 55697808 3174186 185770 3697994 1390888 56179688 14312384 3257497 16334341 8693511 54199716 2671490 200878448 47394432 20193844 2141002 48114328 22495630 8714127 27592162 109494088 35883248 5814334 29889172 42515072 5487181 17087996 7468093 24244766 9833923 6734497 125452320 24632350 35677540 5471023 27651356 129002072 84917376 10010921 4735200 39733840 5736598 15992531 3111212 54230160 6789854 31931900 10620707 403371 8215049 13815763 15762149 42378880 14121805 7019080 19404344 175040336 22024352 73517456 2776228 7677181 41564380 37105420 164144464 77337152 41589700 34424636 68181168 37804256 158839872 51468548 34307544 49642612 13333851 9677461 120950520 74973136 3587407 14255810 5060884 37655292 39280448 8604346 37250968 38296080 13728661 27074384 75636120 63901260 58961460 38888928 14716696 1369222 74038928 2102246 5699953 12706938 133486400 65920068 37005952 47227648 28532766 39782360 29739308 7087554 60862584 51482452 20846564 47066872 68561408 28199368 20316936 221749136 56172792 160234288 22828658 67298424 46192600 145733264 99129960 96279728 38122672 72122384 61729084 82255840 7464210 54691484 59361704 45908364 1882863 16926368 84065272 74139640 48167808 427237376 20183416 41338260 24405642 32178194 40148860 14137448 14460620 20293992 8733891 1733920 18380284 37502860 2858672 24102174 34370788 21478628 65226448 20402030 8133810 28292868 33739744 197476320 18621964 32867292 182714976 69012336 glycochenodeoxycholate 3-sulfate 3164314 2344571 2315765 1342347 1134146 1045440 516688 1492460 636743 1994497 550475 536527 1477086 4611502 663961 686869 4073879 256388 2039659 1136137 821877 1292630 1095033 8663353 3911659 610642 1565384 947381 794131 786694 1304136 6204023 438812 940080 1450286 242573 1562589 2117766 406228 37126 284132 751703 2655420 75429 1273426 2128436 1961577 2755090 786086 5555952 1279582 1278170 576570 6517038 3131824 1188359 2796840 2372445 3240359 1103368 1878572 626978 25087 713445 1106641 256089 1369369 370314 3987825 3322447 4029462 1282622 1119219 1776627 1320160 2652321 779115 1563189 1046324 871717 1149457 2768638 4094864 2714857 1383164 148656 743959 620916 846923 2076525 3359315 1636729 957214 1793103 1057723 871797 1527260 2331787 1140469 3297523 2440549 2556613 1810872 1392845 1759270 1563911 4259840 1385835 2593679 3042015 256768 2867970 4044898 1554442 2925638 3050852 2657146 2633693 3045796 1156007 2529142 5339927 1330175 3534058 2807096 3299822 1086736 538540 5495786 2005961 8436636 7611722 669943 1040833 5200528 3603262 6543018 3512302 312836 1207899 1501391 1323827 7951481 1765285 5046308 2125615 2561614 16194507 780627 4302538 1862230 18053616 601030 5698422 6960075 1991719 2419074 7875356 4268720 3229911 8500005 2926971 1312860 2914028 4446720 3000710 489751 854798 2179875 2045293 274701 4877285 1214980 816925 5901185 4073224 4803670 3124359 6639026 958072 1731963 558186 1704656 666392 845352 553000 1332124 613478 2017328 1737379 2616754 778195 1866010 1864885 6318483 1099728 23066056 2368367 glycochenodeoxycholate glucuronide (1) 518089 347205 788833 1006411 876710 544503 456292 727286 431400 227959 216890 93701 272773 216996 1000050 978319 329754 362323 323926 250889 241541 273115 225702 142387 660158 633571 370290 443771 1086226 367370 1421964 270813 862155 102703 219091 944554 648499 137323 196126 61673 145465 40424 846742 364561 23612 183281 502002 485506 840015 1002305 348617 243596 61494 520977 324537 106647 371828 668456 441209 306787 298802 57114 405832 326329 276821 146323 145066 804583 273560 264335 119221 126198 756450 509662 1921975 53481 383707 160717 99595 334885 178584 754858 345026 414002 229021 50172 227210 413420 294331 249674 158810 392039 219344 165796 941825 179865 132906 466393 1705608 1488303 771887 629886 2197903 233103 4476054 2890364 676771 722180 165167 370698 2570190 841247 602302 475627 598418 536335 823931 163198 209194 753149 800471 708603 644055 1521472 549752 639479 570838 1828943 3076575 2688177 215820 570613 748915 1379777 619997 264406 355433 695194 586545 332509 1165782 1444837 216719 597603 1527519 1047144 267753 1240241 548162 971857 728528 1181413 836575 255480 444953 2159808 1224287 452719 1002507 961231 134881 869565 1452705 2356040 137321 71681 422296 788085 105027 1410691 158896 1357787 325838 4919363 443081 747456 407878 273205 261473 335457 538796 326556 136103 919317 248816 365105 428907 122511 583243 304052 701489 1341222 479986 990414 968028 590000 glycocholate 10289309 18924528 275400544 23359472 38047392 8865848 994921 106182368 2187683 3450346 341756 7470754 12666331 2566201 3123363 7467987 8288897 24008940 6349649 22643646 8783142 5897235 3581351 4213667 43285160 37012220 10010584 38535232 2400577 3029204 2316819 9751989 101993992 9255750 9285803 14143804 8069583 4125167 19964032 1527076 32175 914467 555021 27150372 9150406 840469 7078394 863502 33859728 258511 64074012 22199068 5026667 1472962 9683819 7180013 5284826 5241345 36373972 14930883 2466522 8634593 13450705 2435290 4676060 1670007 7765786 4312966 2496440 41749608 8320075 14215345 1589569 6824701 52498548 26078900 3765057 2349614 15351789 666193 5584179 597601 15671929 4084321 47878652 5390036 119941 637820 4078363 5630627 12217612 4158103 2643843 3858816 61060300 6669686 70342344 295413 5396778 8451763 7952764 82627024 40808480 19415344 9723310 29348252 26235066 72183552 39354844 9329981 19191848 4154871 2495066 24451500 13610870 1363915 5120120 3007354 14503271 17845404 4976006 11410337 13986630 5335810 4551734 17239218 37413576 19179612 9449842 11621706 1536331 33956628 816505 1854501 7812264 22239226 12122890 10233364 16373160 18937584 14074068 19589940 5326532 27387328 20939916 10457576 60196204 16117250 28991638 7791217 64428664 35250368 76782424 5006252 24960012 22059440 54502484 58431740 27212256 15329368 34312148 32984610 18431832 2192358 13042649 17521714 29209254 307855 7236137 25225662 18630410 7741717 243202928 5847930 35003840 11810537 21679840 23905094 4655940 9823121 11749473 2845336 251876 8295818 46674604 2963024 7264761 12890242 15409888 18991580 8169432 2910728 11200857 15415932 327355424 11927573 16438121 85314496 23985118 glycocholenate sulfate 4495903 5176306 5293694 9961085 10389410 3253764 5512730 5859005 4098402 2405884 3532239 3084593 4976226 5965830 10502213 7854990 6674051 4764696 4551422 5205523 6938729 4058606 7870217 3858430 7594742 6353828 3912450 4046389 8898991 6234475 8673169 6179311 8552145 3118319 4167749 11378154 4841366 7439574 3773835 5049629 4318353 4405459 3770913 7472955 3088930 4974169 7786379 8282167 3583128 18685448 5981882 5125922 3890259 5445419 7545093 6970765 4273826 4253937 7764483 7175903 4654516 3800274 4356746 3770211 4545203 2679604 4617201 3815663 6907296 18997076 12423169 4729006 3350786 6424629 4564313 3811735 14211247 3796873 4615034 8237731 4229928 7465859 8298471 10630058 9955188 7658516 8293887 4310709 5202403 4298940 4708254 11858162 6771084 7073277 3972963 4988842 9024044 7752257 3659576 4419352 4140248 8878171 10022307 13194087 7068187 2969409 5037829 6757432 2779672 4649978 5629191 3246488 18873150 4655759 10936124 10233059 5321990 12207733 3582203 14139283 6162935 8667907 11765917 3333675 4045295 6445134 2385580 6819695 3789978 4292463 10484024 14932956 16889236 1695196 2580571 7696504 8794740 5697881 5938132 5149520 5716889 6363981 6420719 7918702 5650535 8374928 4134522 5379653 6967437 9461725 16194926 8224954 10075203 3344572 4289268 5512124 3922291 5445983 6219458 6069626 4040107 4043254 5813382 8864706 13170220 11030867 4488801 5431515 5873369 9969331 5272204 2763553 7030170 6552669 5773243 7931190 12817751 4465843 6735931 6392472 9821908 5674971 16675904 7338028 2978826 4877435 14784950 2772518 5180157 5615248 2071698 9575812 5461399 4374907 4342918 6524840 4614190 10172796 6084761 glycodeoxycholate 3-sulfate 797389 1277174 1592852 958712 184793 381132 598168 152248 297309 429241 303731 321824 304783 1404864 284108 256718 556333 726819 520176 330422 403545 312180 193341 804187 833173 864850 1023175 860877 522538 2001259 754914 1143296 913168 285950 272762 398528 419392 52061 1470824 385390 613065 544429 1083258 1200573 1451133 1469641 554202 471345 375286 694951 394452 1805696 1208057 126134 1079201 306066 50312 1028609 482231 218735 390987 636181 1565964 1850110 352013 151428 619722 986415 2416951 190458 965862 328095 289044 994186 790777 1311722 512341 456466 46154 586728 354970 451383 546054 1598480 483395 731945 265352 349886 2503074 1129091 297931 2957255 3444827 2048571 842367 1074609 1564205 967074 2790935 2832728 167459 2394005 621668 667909 1245603 228752 892677 966121 2095972 853938 2198051 498144 557690 2558613 1380503 505439 1057904 4172598 899180 560322 2093210 2386482 9015345 4807155 315059 2559143 264578 529657 870006 1136160 753329 743345 3339901 1095055 1763409 1228348 2481708 380381 2771458 762097 3669986 532466 589835 1342462 770094 607214 4022710 2192847 394709 4094213 2247335 806153 2175192 2272152 2181360 191773 977512 1019743 2129970 80145 2654703 838644 1665845 1590069 5643851 1705219 1611269 1006565 286511 1027060 247490 1321906 229922 158877 831207 803181 475636 1195506 191358 214907 1071332 240551 3674488 1536724 1283222 2073988 968086 glycohyocholate 1187051 690140 1988105 482467 370624 401012 152862 634708 334313 343990 338507 185597 359253 383721 62604 72189 1225451 68241 345584 429771 322594 195723 188328 4518891 966636 213981 1284502 238165 205383 78469 253096 1562558 220533 209697 245330 101234 266069 677708 39530 120468 917097 81034 89828 161528 167005 763391 1782436 520467 227404 130756 935690 564542 327806 571763 1345472 1038118 153124 296101 668063 138881 63022 266195 811407 235956 669035 65004 198034 1230043 309117 141536 160517 469325 40047 183229 22884 705580 937036 881071 156610 84045 635272 584270 349208 396301 119530 456420 178129 315940 46657 420710 154671 575607 903555 814100 256686 326960 294353 440054 2044733 215196 633267 665628 60142 45569 1215525 256550 134305 393844 95340 389629 90267 396543 559413 225713 125150 989184 519166 1218880 120384 250836 834488 52830 625067 205566 242690 858754 221745 535573 670558 87685 168982 118610 134066 1096952 187301 748742 160057 1281455 999195 53210 649909 735622 1791163 50801 1585817 1179302 822528 1023603 3074002 909109 1535186 2861980 1528995 95866 234247 419514 533313 209841 424814 150227 76599 1571187 262842 317240 582906 345657 1085223 185615 1164100 321253 75707 518013 591103 248988 302740 52545 386374 402627 395592 108211 326934 1621909 567397 252467 2640321 298591 glycolithocholate 79238 1090737 262447 215785 288122 797049 274113 115339 116266 109060 324817 1055897 60206 743925 3055733 767757 85408 72829 1535278 1107422 319606 333490 295207 205504 189509 1746735 1120898 131567 486566 3106620 29284 696591 440882 669527 106887 40452 532498 1491667 216920 35038 300685 219424 128000 55228 247431 458400 863777 112277 83021 2000745 291251 190241 564769 290621 125182 55253 794483 174821 208417 115312 998964 87689 771807 596147 1812024 148849 2317424 259374 696008 494340 1158758 130229 494824 1460544 161081 531716 226261 66061 145327 621445 28796 198060 237366 356778 1169047 104247 1165416 231574 138906 123867 38792 89626 53495 496190 675406 269268 137002 77220 88637 260473 159463 113199 205095 141987 228422 321072 203741 880625 962574 369243 215673 1481504 1893206 604498 1225816 430405 860907 640047 358312 1870438 112293 1014798 182704 118987 53996 128019 155964 269268 739988 497381 836525 719436 84208 124553 266833 glycolithocholate sulfate 5304559 4611825 2772071 3258016 1435649 3893001 1830784 1712425 628604 2547548 6447320 686394 840332 10139288 54912576 6601862 908984 5703892 8953093 6058643 1884920 879193 3050565 1533624 23605698 16433351 5201070 4713737 5412190 4717988 8078092 4950313 7833406 2861523 2624964 1821653 2805257 2477598 4429015 470695 458935 506356 340945 3362874 2739095 5476165 4397433 6676285 7070269 6110378 8760657 2250762 1509104 2346077 1198484 1687148 738626 6612111 5648341 6001333 1713038 3348915 1154125 3232412 13925562 1798159 2818599 4116769 14524900 21760226 9016844 7239908 2825027 2688856 2106662 7654106 14811731 2758372 4787343 4568113 3831395 9337836 10135329 6849747 7301313 7523374 514372 4128749 2036276 7255712 3046681 9356977 2256582 4145084 1675546 1292748 9295599 1144106 8851046 1564227 4278030 6327678 6578653 3385147 13594019 10736686 4315121 8327247 12835728 4130004 12643923 2658161 5272525 3816359 2004149 3534807 3816375 10441017 2281447 24248638 2505717 4295604 14941920 4859584 9071657 22070558 9462435 11804850 3687197 338121 5597366 15080838 36433856 526385 725008 1182740 13343493 398661 7824715 4944866 8124452 2201811 2402413 233873 8796327 1476811 3740195 4921428 4983176 1569510 9731034 3631112 9845834 2378766 14451008 2786289 2205188 2850226 9451789 10630947 3503884 6446993 9381187 11343066 13945880 15873147 3666531 2198443 5046093 11791129 9260022 546455 9202314 3211090 9291111 3721382 23228530 12744080 5016558 2572553 2000990 3581869 18259144 5261420 619154 1410315 4039105 6217561 9350516 6831357 2632293 1948419 15201536 796337 5923414 20262782 7760850 9328320 10870263 glycoursodeoxycholate 895106 1002479 5515584 2112327 4109959 828952 205251 3780877 439822 462067 80448 455448 754416 272726 1571748 1509532 827108 2670791 1838018 1624511 1261064 585333 2809604 128291 7681503 7301748 1468337 9177526 495732 1424648 908332 320609 2732370 634257 322446 4064475 491515 843208 1050018 161773 139620 43017 4727144 1117287 159782 411652 307295 932247 103152 10393477 826343 729153 293821 749161 180685 261506 1731818 2778971 3789312 170008 869365 3118121 282597 749771 225389 312681 588827 228371 2723417 668694 2594794 174378 356673 1921420 2695425 623995 210175 1159765 357352 270461 103619 1347345 139591 1963987 481081 332690 554809 177314 1305779 470159 573369 766146 3213622 148306 3954955 63802 502653 638189 1944897 2310264 2791455 726824 656952 921558 2043769 1219526 2938200 431096 1196408 943468 255082 3061127 4835048 99627 833322 177440 1396396 466789 659166 640651 2095117 1119725 1394187 3061256 2128992 2122034 966346 161057 115827 1870155 104386 210296 242050 7134974 1104217 1311246 2633460 1369281 1024648 344492 312374 2022831 831482 776855 1193942 1886192 664934 591270 50379200 1919278 4725835 1106284 710219 1125725 1539965 5419612 4293766 1543840 1942062 1005245 2864115 611646 1450291 3785480 331205 103970 627351 4391072 3247556 1584031 9228674 540889 1397375 1199627 1635290 1304628 310531 133799 91089 206791 288430 915112 86673 311267 1090329 740417 2601445 396387 477976 270161 844496 2210412 977063 2112085 3574247 2552344 guaiacol sulfate 1004642 1105333 707013 1850041 2843077 2032826 863590 1283386 1239319 887336 1402882 1989901 7243296 2589676 2138262 567848 992936 1314263 1659599 5502144 1930663 2190037 2691720 345433 883618 549615 1945123 1307626 3049884 1518413 3368865 1842455 743296 550074 1057071 2331868 974058 1014812 6886532 806550 1765616 489118 363538 2769022 501226 3455114 686881 404665 794927 2168342 1426548 1539233 1176107 1484266 2364875 1655055 632868 260386 211821 380839 2183076 728977 817916 1723600 5113608 1366893 1008903 9894578 1512756 991724 572653 2700144 2812071 2114976 1531217 4243461 6153884 1161575 838144 946922 1174955 407718 450608 1319689 673936 1000053 749908 377316 2025813 5533664 757024 261078 2105682 1946661 1531614 1238211 1986298 940624 1271080 327925 585596 424733 810325 963206 1851791 1201075 423735 844854 295912 1157497 1984067 1565543 1435134 525668 876366 513543 1018485 604573 798371 1541728 996039 360632 911412 549236 763072 1763175 269397 407350 4197563 1419927 1496482 926815 3137510 265039 1406273 1160619 941337 339124 1414278 156219 397136 666129 332697 1610616 274991 727204 699601 2474123 432814 900119 531976 905687 224424 1965153 3163186 2741682 852463 616253 231178 1510037 2327617 1220560 1525144 2940599 700735 658297 547381 841517 486296 487964 1110213 2372780 1521225 276446 1023047 702125 841173 504036 366680 2028891 653189 490879 601972 619063 1867702 592664 546143 3458376 645515 1951931 272772 398897 1661603 1604838 1309259 998733 915801 543713 1727724 heneicosapentaenoate (21:5n3) 120704 293875 124716 66108 361589 704137 591032 355049 529403 680215 149755 239304 330967 2392679 343717 229422 212556 110397 160111 239038 769077 408637 1131213 1248017 95856 517331 181246 516839 1957979 510695 97641 633492 361589 156130 80574 251606 876372 532439 662515 140057 84948 767280 315364 1677288 104517 275214 294342 636786 1625836 218548 2261380 522333 552113 300906 98763 443602 1278539 397431 1000772 81772 543163 1181351 2128132 320313 583166 2960017 1134254 131715 70596 1166554 594936 179208 1203470 336205 308615 358284 859755 96240 1483220 223570 902760 104369 228685 49076 1309116 216737 421919 68409 620327 459804 3013531 287966 60996 806771 570508 257846 120586 242434 531227 1183119 97041 1484995 702238 92596 463147 108803 103464 394678 284087 166623 191396 122158 327514 1213549 562909 216798 945826 319211 282773 1084686 305329 427892 679808 106306 853587 388016 204544 606590 387134 664099 579937 92592 381419 829866 143796 290212 684542 142209 heptanoate (7:0) 1918763 2443068 1657631 3467730 2291012 2320579 2799219 3352155 1660219 978371 1672295 2233680 1923988 2969726 2072326 2068888 1535936 1563064 2711141 2314924 1316526 1948965 1039443 1998480 1516694 1286732 2831719 1725799 2570108 1260989 3670276 4779722 1590247 3230371 998505 2652072 3251856 1612807 1572914 884277 1374938 2547844 1381093 1271513 1987165 1288904 3202303 2939926 2218861 2814808 3676600 2848615 1272902 1911396 1391119 1938555 2364822 2363623 2197511 2654851 1959978 2299509 1706581 1651577 2601763 1550399 2047722 1951187 1805845 1816313 1501964 1847713 1374970 799849 1207285 1348788 1191873 2193478 2521953 1457391 859027 611211 1338906 1854727 1151552 891934 798985 882746 759781 2686074 3051004 1195210 2508173 1554649 5562892 1514099 1739416 4776830 2909202 1168933 662006 2224379 998404 706063 1076396 1108125 937111 832482 864599 882108 867723 697983 800376 886056 1814911 503099 2241196 950405 924087 703017 849657 988989 788474 671488 1143338 1501765 1169178 1103058 1063657 819066 1091270 938894 891983 471672 926449 1630385 820265 784679 893344 1244702 848513 982329 900767 1032438 804413 1028771 680728 1712930 954754 864373 1105533 1129346 822814 807253 1762984 1412358 1006675 943570 942812 1034769 563170 726743 914200 823588 904129 585294 660379 830699 806162 828475 813062 1075216 1035541 640430 1108975 1132487 660876 1283026 1067131 1249377 903180 980098 1166104 816348 1275916 864633 1325154 1784459 885639 1790441 792802 1079415 1202610 1426446 967296 992157 1179602 1029946 1072970 hexadecadienoate (16:2n6) 3409938 14541122 3970036 8713562 3739964 11379488 6540203 13038257 7145887 29465190 26741414 16125261 5966107 14828437 34085088 2330278 6399509 5852282 9476878 8111582 21369234 16499858 11167037 21465540 2751159 7061615 9109156 18707700 9642418 9989923 8369612 5407377 16638921 7271461 13801536 13392106 3269451 36337432 9717717 12243812 30439224 12494279 16420098 7872961 20128114 27339566 20552318 15650930 2860151 8472242 6592944 5076264 3710638 11555507 4959045 3559065 7664099 35737592 15889402 24661838 9935989 9516905 4689946 2008245 12829043 10060092 1530865 19858460 24385208 5056344 22461704 12399998 16662841 20585720 1149070 1401479 26607020 19141914 11323231 36019296 16228622 23788042 15962429 13608738 25341602 43860912 21865178 17370854 7669928 2357545 11229663 25023486 41276276 4942761 37271204 3620997 4096391 28383872 14370103 18983786 57793492 15968425 9155960 9894172 10364647 4391548 57913408 13978929 22544768 2629144 9690153 9002080 43502088 3901798 18020634 22405770 43731228 32559310 7812311 32840984 28206604 33691624 16950940 21083688 3936300 5891547 38767856 14374528 1172669 32115262 19516670 31643418 14339214 39132604 15713511 13148913 15308362 20986164 11632250 21945150 15844525 3992403 22750778 16091033 21454072 29211548 4441822 2851074 29822838 10375676 6046410 2118716 20793752 8062611 3159913 3268221 4014489 14597978 19303310 11502754 3833316 8495802 5517250 12718387 43805344 9047543 2049065 16309136 21855466 26913074 17893106 6450460 3362479 11777572 10363125 21858476 36870828 6021544 19883328 10991231 28815746 16459105 24337118 9954908 2208779 31535944 38551452 15485358 14630356 2685454 41430680 23543198 9946721 3927855 2061361 18967984 2902064 12655435 7983202 hexadecanedioate (C16-DC) 1386038 1423831 1460267 1744769 2133057 4198720 1822056 2497109 2331517 2255250 3188758 1141088 1380849 2066237 14969129 740676 950201 2904104 2567865 1855696 4670244 1006365 1272873 2115872 1435052 1039683 1163400 1058553 2051146 2319358 1874090 1398500 1240923 1442972 1622625 2983533 1270755 3844188 1866869 2608280 1448390 1246070 1112450 1302623 1207567 1258597 6239755 1882197 1018836 2494282 1449827 1437643 1319015 1439895 3529537 1482998 1702900 15986367 2947963 2572631 1252458 801555 1126989 1156020 1363619 705045 1029083 2393092 2480219 2184151 5887853 1367136 1940177 2636950 735041 1698688 7191570 2170849 1713287 1815914 4859604 9322460 3570760 3226912 4042407 9399071 9073487 4532819 3717772 1374168 1918342 7262030 6457779 1881298 3071157 1116828 1032314 2625568 1807606 2681861 68114472 6332737 2365435 3483855 3492929 3468896 5358184 3167527 6082823 1527138 2402849 2508340 29051856 2359748 1526898 3045168 26468068 7940411 3153275 9460411 8195191 4769274 3263546 2826784 2174692 1600415 3954970 5017960 2932928 15426171 3473185 7455213 4850185 18811598 1887018 2463927 4652644 3183690 2911549 6034910 3604256 1795370 5783349 3218789 2360191 5682301 2894510 2358220 3925819 3606293 2229205 1848422 9643173 2279516 2290297 2511166 1915259 4219442 13584783 2977686 1266123 2998276 2859444 2259017 14625676 4194900 1806575 3919309 6037825 14597591 9691686 1632025 3030781 3383195 1949077 2609500 6271723 2988716 2752494 1433309 5567219 3452183 5410796 1754753 1433623 3267871 10226951 3122323 3756852 841810 3505182 16975294 3334844 2596274 1258212 6096492 1818105 2244512 1983776 hexadecenedioate (C16:1-DC) 216563 433779 486601 912357 622862 1533658 484938 1634384 505845 432120 839684 114810 260751 369085 4094135 306741 249894 827568 810948 580216 955924 115191 241219 631341 436479 206778 391810 194161 777489 372778 549079 414818 246697 662125 518460 1226854 442964 1043997 357566 535805 415259 228831 144349 362506 348329 291351 2507071 372964 242553 597444 149461 74151 194245 293592 613115 477056 126236 3706096 773633 594113 141253 334415 205378 253148 97637 220763 496937 355213 604682 1241468 306312 158911 742610 184926 300238 1572001 388825 260595 322705 781403 1479442 506625 931629 609836 2157592 2303282 491957 455501 374162 540840 1178891 1085251 580863 936534 251484 207234 363163 383040 265244 12923175 2007027 324956 607758 553646 756696 647770 577410 1253061 232586 485008 283236 5398284 513193 561117 605270 3705520 1186116 431672 1425223 1258150 533410 355105 285382 210617 358726 359897 776567 838064 2975620 406895 743236 747496 3862581 234387 442952 412326 449749 658077 1407464 1177654 245515 1242351 858945 415090 685763 789418 556190 527340 531144 256986 220237 1128612 527782 398596 1496091 369650 760306 3524659 508745 302949 706107 460140 477289 3198670 887829 340460 1132333 759409 2484428 2204265 346970 492340 291896 330285 416438 789378 322607 313864 120835 785354 597858 797260 429537 238789 415857 2523636 356324 706900 238292 425723 4609854 299458 571733 172931 2067476 384987 857174 326448 hexanoylglutamine 133711 295900 112426 465113 292764 1238817 78849 955654 134521 339439 2368479 413459 173570 835141 5480303 46023 78522 425355 422430 118978 535241 119757 1459581 654003 85165 229085 311247 87281 117862 455384 81123 300485 243189 206608 190277 994708 249064 2904559 453340 530507 387666 154920 265031 150171 97378 232517 1091737 457949 43546 265292 418833 25147 154159 95165 95868 54801 111353 2475604 972300 2618452 50451 72971 33597 223587 532573 98420 500919 2668714 1353805 666257 751978 1163113 1161665 42082 1286850 971422 129233 2136874 217573 1193225 1529064 1060555 1322578 2054529 4394975 576843 804941 115798 214994 1331549 1192090 69303 424498 201761 110769 436140 198370 1790469 3435068 659214 655837 786161 598764 542062 3509430 2007850 1195210 208106 675381 15881131 223384 202785 3237357 3508761 6159291 650837 1846068 2322312 1829816 1539017 684377 95439 288746 1416054 1064925 56078 7433007 726037 1846992 5663628 4836343 535903 698506 3559385 2193286 4225850 2319739 570652 234158 1709629 626213 644589 488905 309402 192215 1531756 2735240 1213476 23567 1486256 162818 94120 172464 346179 714724 3017901 5612527 34768 462433 293352 1490528 1396713 1048695 131333 1158761 1160232 4472443 4550712 219565 200842 548883 511258 1048844 1795319 433218 1018827 170467 1259253 2539094 1574213 1145602 466121 1167307 4823536 925812 559576 55152 2215638 5101855 206769 253443 364433 6577327 100270 3454244 78112 hexanoylglycine 81118 105721 48529 209085 145394 157849 134248 57188 161507 551895 200581 308119 345176 178374 94444 151242 223052 335820 61890 96879 117980 36668 68544 57621 148418 125317 123013 512222 127723 123104 185109 91456 162250 49099 48121 122179 299253 316207 243282 178875 103964 61175 631534 442613 1242285 71767 44772 74400 126129 68757 71988 471377 183233 452179 230909 320197 633765 14179 270223 743521 91229 674809 160286 564345 414040 230768 509335 995422 685558 275677 131948 177873 387109 33088 197620 71374 104322 362746 54203 647195 1020496 158833 208095 205108 145310 68724 542146 206136 125987 70635 194917 3070154 122184 529972 609021 674652 181427 276751 164659 496527 144856 102656 56094 211299 79363 317596 212909 319582 129144 507558 170731 164699 620677 349877 469773 283424 66889 137716 390400 171273 291687 236291 70954 77515 429650 236399 113703 113696 152186 140941 336575 350698 608504 40254 94225 156335 320360 68634 164429 509919 391654 386440 79477 143022 184048 283451 255880 122377 544422 94689 482082 495686 266733 106951 54827 161671 421777 703071 92421 448397 254312 53409 138421 60496 514112 65766 1229881 hippurate 17578408 22060926 14364008 25697230 43982716 29609554 14343970 20688656 24315522 54376720 27905878 10946389 39319284 79886120 62506032 79671168 32631452 6050771 62940248 49095544 72672576 296772928 35792136 19746672 23067768 49653736 57586864 21831404 46605816 8117228 71731168 50599892 38830404 27443746 47843608 70828816 26081176 7723648 51471780 37342376 46464584 44649468 57345492 54228864 39485260 44042624 20742778 13162036 49475876 72658232 2894279 36511716 54505012 74288488 32864328 48950524 53667660 72204872 34899816 29543492 92974168 21185764 24465264 37124848 90662960 60232828 39454384 109211256 48253016 26056280 36188608 57325756 43670924 76570712 37521300 100747968 122265128 50498724 42833148 50164208 89076824 41254520 41993128 19445724 23498876 32558816 29042606 50909264 18355636 33538786 26799716 40307700 77316896 137503568 16227841 31340428 28757788 25872254 67961344 29668358 42415460 18578634 29016760 22163676 29491998 52389908 55503212 47562628 49213656 20585146 21148980 51550624 2224015 22074874 32010412 18055934 43566952 52452612 14644736 42021256 82360464 39427360 49753032 47934488 33073190 59594976 50888860 16133465 33848792 4618854 57412968 23499320 163630368 31222688 90170504 15372777 46182136 6659599 28479392 20146066 19804736 98288344 21862580 5341255 17289344 62911196 27431320 12589806 15439619 19492060 5231674 18699110 31478158 48139024 226354064 55424260 48104776 19683630 30426002 127926744 70533808 37447952 36175632 140075872 35560968 39583756 9572041 34960348 22207250 19648312 63907236 32051960 38925700 31551924 51631376 21692328 28165404 28309670 26035768 41506460 7322931 20953600 61565108 18107038 11397195 29864074 30952252 33131912 88678512 17840804 16396202 64228096 62835344 26273538 16843356 58305548 83676712 44957168 45916684 histidine 66339492 24887950 37921388 59536140 41403016 40045980 40876792 34683924 28489198 41168268 38052232 33884568 54054536 41802384 32220140 35475784 40778736 39902260 46283856 63820132 34334820 41553228 32071042 51282288 49945928 44471072 40381296 61799312 46004984 33635232 50179124 48560616 40079968 41354676 43408992 34883268 53266904 54676464 60426868 42037888 47555416 46645696 37648728 43744436 35903432 45505048 36407000 42913600 36794284 48887396 41429792 53962732 46026684 52186084 60095220 42083452 58395580 31564104 44562148 50319228 45042128 42155480 60963280 29163144 60353372 20662134 44065180 35292516 50152180 31952126 31349040 47563144 39791224 29828008 37407912 36996412 49673144 47425388 46579856 44204412 32630110 46418624 32104326 33557024 43698780 39102072 46942368 39901584 53020128 49367356 32396038 34941020 32672582 37863616 29695708 35713324 54241892 48472644 48748836 32060022 37102288 32437814 46628640 31253672 35910528 28211416 31106544 23838444 31844596 31818844 52466532 35874432 29499794 24717466 45010636 33794792 48403592 41809896 37109188 30442638 31281996 25314998 46528496 41116804 38242884 48470284 28311624 32817868 45779972 30900038 32337486 35317148 28921462 22563666 44431048 36376552 25833678 38201716 30686520 25175352 33813692 30050232 39340240 31067940 29912558 44057904 32594582 51642736 34454876 34016316 48022452 33983848 30913686 21434226 36222696 38243636 42211696 43582200 33004680 35802996 43069672 32814756 37445248 33824420 42926196 37973020 48346248 30208410 26257480 23014962 31027260 37796044 41775248 39605844 51749008 22663748 29422340 37987448 47786776 60563508 33466368 39386416 21877910 35770844 37243928 26224924 24950134 25815050 32222506 60902668 28008434 28862466 54692816 41032344 41194692 34156020 44461164 31046380 52188392 homovanillate (HVA) 59972 72024 100256 78020 150987 118653 69067 111286 49179 44303 91345 116610 71237 74283 239478 49839 125802 84090 133450 129615 74940 85222 82979 89993 70161 77745 76838 79224 131457 137892 119837 142054 131519 112511 100437 107264 110237 84060 91689 58328 86936 61354 113253 74518 38877 65876 88001 39516 80999 69567 57135 68744 90270 72210 80813 57701 42066 92217 72319 59759 68766 88001 95527 79672 165924 57397 81228 97494 70173 115447 69299 72866 53517 81906 64199 87549 92676 178158 99601 108090 64328 77762 122254 124948 86824 81910 68340 51908 131404 132719 143394 74745 142794 77939 86890 84941 141029 67516 90647 312959 65183 123401 91931 117774 94216 115278 123362 92230 57372 51527 69316 144644 90239 107818 89053 121524 109461 71639 268753 153809 91200 53300 90263 93158 104893 93657 115349 138208 66734 63393 125567 110099 81463 69480 128445 173873 72877 46832 118287 59743 64455 88126 114683 71026 92382 59331 127149 92038 97147 78421 138391 185494 60692 108329 110567 86692 131682 71443 171468 58096 100124 62183 79696 95128 114856 75490 68839 79427 79681 98445 99266 62074 84283 69335 106255 167305 hydroquinone sulfate 155820 74335 122185 268043 350751 716479 307328 494434 59275 84352 44026 61951 151956 143989 188975 194168 168162 225410 228144 515618 62527 180197 551711 125190 90851 92038 151279 60222 136793 51620 203095 280544 144836 324686 16396 100002 83398 191999 64883 187067 113094 116373 141257 92505 47626 101797 221715 229834 240102 81343 275748 442099 140628 154195 307056 508410 19195 31813 37323 568896 340659 372294 74701 39430 46268 86702 348820 78076 273553 478987 1586190 175139 61474 224005 113063 101553 179805 577511 183218 297644 132465 114621 389516 253354 146298 123431 126335 79764 150711 119722 187433 83508 83605 40660 263535 1402987 229454 69630 506519 554648 91107 150543 143670 1465570 160123 245976 74008 147539 66981 416906 112581 861724 61636 100229 54890 47538 240204 175836 388266 374193 237216 340428 113035 678282 262750 128596 766411 115657 545269 120244 440536 141909 150867 29663 50914 32947 144203 197210 214705 764820 76956 94715 52689 196142 92238 186635 62395 286041 473444 37845 20967 155809 89002 369302 866066 461341 132461 42232 421748 306205 112232 310379 hydroxy-CMPF 5407091 12993997 4917676 2446089 3269816 1084574 3753546 2367050 1296792 3555891 3063463 3542471 1052357 3795418 4673104 2730703 4134942 1927911 2556679 5535364 1238790 7800850 2899593 4266783 1363618 1345029 8416678 1930293 3868337 1722512 5993580 10131413 4566254 16759362 3833768 1273316 3184642 5935728 1063046 5137745 8116929 274103 566189 5056597 7759520 14166668 10150004 6361790 9916472 13163514 2202135 4205394 6049146 10617821 9863033 10179254 4472181 4325478 5839023 4919906 8586481 3950076 6380931 2719922 3835691 1721199 4906146 2603891 8771645 3693445 1426945 3482528 2219077 588334 13130407 2220079 3085531 18807792 15120638 7271758 1845196 1714705 4219155 4238520 6729793 5882083 1356012 7515513 431947 4740711 1574217 3311323 5491371 1254376 5215496 3993498 3248330 12367147 3771795 5396018 27248152 7497966 2623919 3201015 3081140 5565300 3471878 1494168 9396909 4948878 4794580 1043343 5151452 8578029 3181043 5409770 2538638 3458628 4701515 13516338 5217580 6624099 4779480 9462294 2051751 3404729 10754061 5127823 4634199 2229057 7530056 12543745 6729306 27420004 6419899 2773694 6188528 10665808 1616932 5322380 9180815 335785 840703 3904470 12010854 13449990 9695976 5940084 11423914 17881976 2674993 6342896 5007073 9396818 7658213 12039050 4633733 3337987 4411285 5680632 11012951 5991862 6052956 4745040 7872063 3932786 4673571 6266030 8284145 4280040 3073357 6310133 5482159 767687 26941724 3263338 3624659 22186246 23516606 14934517 1482547 1686134 2221049 4002427 6020846 6061460 984229 9245294 907417 4000863 1229291 2504423 13115096 3777909 3500242 7355021 5824242 546170 3929489 hypoxanthine 30934296 25595922 31362976 33209484 39390728 28573006 30999990 51845488 23752810 28739012 22017110 27941262 23405922 27366588 25995872 19603508 27891322 21833264 26878882 27087398 17658744 34975784 21508090 31424946 20114496 20659356 33769476 36654544 17351832 22148388 20324542 30630738 37027992 27426466 19767370 34970340 34636000 28490446 27542810 18046310 25460628 24662596 28127170 25612916 34899832 43008656 30404578 27148426 23058368 29499566 38530416 26056014 30508358 30775204 20475936 30317012 27397682 28843554 20954472 22219142 35024388 25012030 28697992 32776314 30184612 29379296 20188736 25705424 27046836 25105218 26938316 22180930 25307232 16532194 28894688 30853540 29621570 25680530 24911690 21872208 36792580 36589776 25438450 25073946 22763638 25711250 22196284 21966390 30563096 40652332 30066440 23649898 28591682 32711038 22571792 22602744 28651892 29880902 33791464 16815700 16981534 31953222 19312426 12940910 18392982 15619653 25109190 12573246 17874462 14804689 12319080 24110530 18349036 15883847 21557488 17780470 17587652 14408198 16073745 18045790 20590848 35508388 23996532 18944646 16012730 24128468 18696364 31444130 17674006 16576026 14390924 13769200 16931770 10812133 13839857 12591912 22567202 19319178 25856722 18234148 13710226 17442218 29951412 12097489 14132584 40024316 13208583 20725200 14524050 12346400 18135360 25031522 20758070 14335074 16929828 26819162 13812328 35840636 15823905 17411492 23945360 9510484 15673156 19258588 23139614 12418706 12151276 22018978 18290640 22065632 14516394 26459262 16768341 20269116 17994048 16866684 9703260 16906268 15573070 28740796 22851586 20784574 24051060 15490248 25208416 17709420 22970422 29553238 21822254 33015332 20036716 25810790 31582112 18015556 14759656 14926546 27800174 14946772 18726122 indole-3-carboxylate 27400 53480 30594 31903 40058 40796 52486 26221 68581 52610 37756 45783 35702 107267 17816 33110 42571 164372 32335 39459 27464 47679 45516 115676 53990 50923 30268 62998 31959 49012 58752 63327 25310 38806 27388 37029 39225 105981 186719 55427 38807 93208 64349 100565 43555 40607 42391 60831 40820 36139 63643 30471 34552 91609 95193 36810 39145 31122 45314 29402 87233 70176 51274 50851 36211 89192 92147 77230 194018 76010 44334 172257 36443 57546 48869 38846 67783 22824 31320 52371 72396 81940 45434 35703 60118 45585 33636 37597 28069 83365 53574 112367 27463 39638 53495 59478 44757 151272 39035 37728 126932 31689 25494 40923 68043 27587 66500 45978 38716 42457 28684 59226 64393 155409 25613 43603 42414 28670 115531 22897 46439 101637 55882 44495 53468 133382 93026 152031 33046 72789 159960 49134 38738 37166 53165 48644 123159 47575 66927 190417 37231 217219 56273 116356 54829 55948 42363 144216 19911 46658 41873 51716 33891 31651 50870 36054 37271 346987 64743 103135 81016 69274 46509 21953 55048 35348 29146 70328 40725 32397 40693 33896 70443 62551 53370 219679 47575 101701 80016 36200 indoleacetate 2761023 20277082 8248025 8248252 7377769 5820989 7484876 8565941 1478631 3359890 639077 6374844 4238783 909392 2663059 3096943 11051330 2531485 14462619 5350080 1328376 1883444 10484460 1405607 9238505 6308588 10262693 1196283 1838490 6013490 2659934 1698030 22677448 13414703 628767 6476146 4004495 6810812 19385748 3030759 2838507 4749503 1424320 3419389 1221003 3442600 5991394 1750791 6181247 1650426 19183708 2123033 8948414 2716607 5715967 12122411 2648030 2459915 9199813 10042969 2964667 7850661 4098313 735249 1474035 892765 3862529 1029707 2656228 1970447 320823 6202198 1670353 1880227 5066726 7776980 2050357 8437513 1328657 2759103 2690612 988491 1237257 572068 3191922 11825769 429001 2311381 1844347 5703640 3826980 1257326 1164203 5110258 4132055 2558252 2489360 1621321 2212933 469798 21905922 2055821 2402037 7326828 4452232 1849014 1307611 2572348 5095842 941794 1353948 5646440 891104 2242918 1098568 2184577 768552 8043067 10464084 2741050 1111554 1986841 2936390 1627333 3549806 27713696 6420110 556111 2518355 676507 1473697 2139518 6049749 1006657 842315 2082031 3359919 2120785 10656229 2639585 7164149 3168758 3345892 6481056 3092225 2666169 6003201 2467946 3937817 966555 4310004 1414521 1832228 5161358 4931716 30627278 3845880 1372754 13856081 3132441 2644504 4899443 1610560 1047967 1020284 4933547 2001086 806382 1653930 1149371 1711726 1651488 2613080 952410 2578510 10404347 1547558 5978414 14063657 2086223 3069997 992389 1499621 709246 2036405 4031931 4041326 4317162 4561274 1393998 1487623 2311945 6517107 3163134 2841451 2565991 13846143 6283852 1105603 indolelactate 6366605 6307383 8308024 9085146 10659809 10445055 7629967 9943284 5545309 5116734 3605460 7163997 10844818 5226909 15909740 5189513 6521842 5825461 4783346 7622069 6373938 6606469 4545704 4215706 9586608 5464662 6803682 2234210 11789655 5523163 8931243 3382052 5015500 4701009 4494873 3298716 6389526 3627117 6397186 4209789 5730365 7098414 6056740 9996768 5970192 5416835 6054857 8253179 4446968 8261774 10598934 6081738 4373556 7599225 10602524 10687076 6513566 4315376 4508448 4159322 6254573 3738373 13041347 5755014 7478946 4172643 7523067 7716772 4739356 5196370 2609204 3566506 6410113 2429805 6712703 8117604 5821185 3972412 5483321 3890490 8491568 3301290 4676468 4058317 2649594 3621482 3227588 3209585 3848047 4298752 3711390 4046580 5778849 7145808 8960499 7580850 5157992 3799173 5438332 2817687 6363342 11284888 13945151 8558068 12794638 6291182 8981362 10796712 13176948 4663753 7718592 10962385 9741174 16871748 5698275 8444747 5857619 10812279 9045604 10197449 8182746 5582472 5407664 5765219 9806636 4491021 7073556 8562394 4790450 10537052 5612050 4425170 14230903 4906191 7185206 5539629 12355053 8278067 6381599 5739488 15226685 8132761 19881120 10519656 6493807 5205955 8323708 9676885 4675989 9331532 15047596 4147703 10476504 12352509 10343016 14095686 7906973 7634935 10717595 6096283 7923128 11793515 13184598 12976084 9602339 11599108 6928147 8171764 4757215 2822113 10761771 4372162 8071074 6620122 5705848 4718309 12498442 7306298 6641118 7687097 14292480 4101856 6034502 8020375 3033947 4505604 3419766 3842334 11107640 11439891 5591262 2511651 5124705 5297471 16779582 5084229 8073068 3355224 6590360 indolepropionate 4884994 2663400 6689377 5493619 6661460 1208975 15698573 1432937 5356420 7365664 4533145 4674356 3948504 31745352 15668219 9478734 7367340 1677741 5351568 15913335 4099753 30341068 8338804 429214 7737695 9926642 13597251 7391597 44367964 8364948 27234036 33450972 2559403 4894152 10735840 35943852 7114298 6427937 9951450 7834577 17671440 20327426 5137875 15015459 6751465 5597322 1216656 4563342 2025857 23536398 4293146 10231979 5143888 10168615 3788804 4440609 10372727 5246106 3436701 8992032 29278628 4804528 10510787 34376936 51297792 4305708 15890954 18830946 20450592 4481588 2133833 3211143 5903576 2453252 15226205 8452574 33906224 2552566 17542178 23842792 7166494 1905777 2476766 7296332 3572149 1086424 1978115 2257597 7054928 8313154 5144972 3518640 17218780 35467396 2090346 18325504 27684462 3187186 25537210 1118493 866936 6993695 1530971 3214232 2136301 15993204 6693714 469222 739254 1965574 6564747 10328472 367239 6336230 5401624 6209749 1727363 768206 16898724 10193374 2301552 1831022 10650460 2820480 2362767 2184390 981097 3125352 2844425 33978 7043228 2168109 8168920 631837 13166381 1584518 3093059 599934 1101900 1078359 671696 4131321 1053512 3158610 1407194 7628542 383350 13184885 268938 1808242 4816877 1903579 898320 2743907 19300312 1155609 2116328 3629183 777329 19215652 12468652 767503 1234166 23933880 1464329 788739 853311 6313672 2807155 1004715 1081277 2693997 1618514 1201683 11558448 2037228 1635487 691803 930861 5207791 960444 1747998 13120983 2797684 3264613 737331 7932393 13183659 18416250 4467745 788850 6337530 28917326 1734432 803618 1498540 3196415 4651246 31072022 indolepropionylglycine 44902 19562 120027 115286 157464 221766 90007 144383 208726 179111 40460 637494 82545 167234 50298 44732 84195 211574 31776 566399 94825 84190 112538 182908 146189 587014 122887 397103 303070 25005 304089 209318 172285 142521 205386 88644 287540 318979 190953 227259 83617 51325 101749 385325 129957 92406 42174 79938 126547 62138 120874 395089 183174 913406 861835 68266 265043 216195 323104 53757 29814 92595 123697 248786 55481 514281 348824 450909 112033 41807 90029 97219 144597 30934 680625 479442 213158 433446 20287 271686 24865 125710 75345 56054 260776 197870 40744 54752 79525 22719 199142 90854 22400 111796 46425 19393 36200 126049 186516 84047 55319 50592 178495 217400 269318 58094 201077 227506 341328 36750 30875 204998 74951 59354 101006 223901 130287 39396 615662 24225 57142 204901 229221 inosine 456002 1213263 1745378 2011738 5097349 1350230 1642800 2069354 844581 4196982 1665257 978487 1054973 929716 494740 197824 946434 386806 222299 229958 1615511 22402640 885449 3086599 4384616 936166 7057732 1681348 590573 5401343 3246223 704715 2412249 1190065 508564 733194 1173745 1492936 5319873 400779 1051306 496132 1312429 410599 1661180 3394149 429228 894081 329461 502821 998403 952188 3934234 1561298 6164896 3846960 2212039 1721221 1371244 2151238 2433301 905787 2255306 4961941 1639323 6600227 1970431 3411102 3419647 1733241 1648352 1937476 2853561 1318986 1365676 2248087 708874 1877248 1849963 1367711 6350710 9612547 8569842 4965424 7829957 4723648 11939240 15560354 20312618 2306195 594891 1110272 790156 2046193 157393 1972199 860536 1294224 812290 1803399 2605091 1578219 147754 1379933 5480656 3324018 203953 233467 129278 3438418 301577 193718 440394 727809 169563 2046657 202193 119938 1768894 2000068 269354 332796 259605 466757 194241 1392389 171870 219420 3027091 135609 4662202 727507 467746 972610 1096822 2237283 8001914 13226686 8769785 551978 1140419 9138236 2046309 1755846 2681785 7808713 1541809 16545192 4996350 80554 461537 4414870 471810 8539096 133207 3719495 4816507 259964 5448130 6380107 1471837 925673 138453 155270 1029809 105986 490818 8826117 234100 185842 166964 151111 116698 265602 250260 169329 180747 5402720 75714 163764 193169 10909335 210128 1598253 3960562 1347754 178385 4947590 4622954 2163137 937783 10760588 217127 9266175 4843590 2046590 7616877 2864509 148751 isobutyrylglycine 255260 252734 161841 263978 247131 191441 116761 282502 108523 295856 308514 266096 521073 96151 215190 270356 173286 237357 230288 154769 124678 141461 248682 210679 348877 161214 134622 240968 157952 160861 308021 201545 334017 123074 163509 290405 204412 213698 111237 190528 99127 376193 247931 193842 183921 179496 237304 89968 159314 335601 206055 196931 225441 203222 304566 210694 140859 165414 134045 136848 155632 164229 166213 150728 149425 150808 369790 458581 280717 246817 223417 112569 170327 98229 197240 256641 199628 128927 213235 167759 191062 132034 183346 324906 266591 190972 273206 175598 134280 211880 112610 139576 464194 318929 176761 254906 241896 306712 149120 434571 189764 145431 82715 120749 747986 248129 206270 130993 212013 194877 332887 187620 209249 243306 106707 239459 327922 297673 182330 147556 345731 495126 214416 194917 567707 208792 248570 272919 413982 180227 328514 267740 360823 487676 221742 114967 170942 205643 167518 433257 229151 271604 371611 376368 205357 486137 274064 173077 399801 158972 95189 398545 156071 98469 364734 216804 344186 85297 1249066 438140 311400 210709 339649 416890 212802 isoeugenol sulfate 279778 372849 797920 135991 179630 48716 107870 451911 87297 70248 388163 412266 278874 96336 229362 87546 884350 128092 102300 76043 167604 78940 104580 44440 117129 631483 300349 31029 295240 199400 150207 186108 266342 41067 177150 164209 117973 170479 83967 190412 149047 199757 975341 93781 291209 51448 243685 155128 187264 217273 117412 110448 222636 155547 148463 411998 30567 621979 85803 88017 40867 35514 32184 579109 439033 68707 323131 414598 85109 185189 162688 36483 150291 321703 223547 1275228 88139 183238 203757 400407 170479 54854 1057273 931046 178323 272313 168618 277466 117872 122217 459624 148973 63814 359138 42949 718565 527104 137070 43753 65602 654778 175924 74776 216141 270889 382523 372122 isoleucylglycine 332483 463010 370800 338452 410018 501019 553492 471965 519887 586674 643978 354023 543704 456412 449910 129238 122998 166301 240901 212283 591580 531411 338716 650336 361512 427267 762163 774710 1399818 696277 889678 265073 561671 247749 588323 314155 438057 315749 240378 360167 589067 264421 313821 290485 594735 642226 278060 319537 52774 263678 329777 535138 528984 720398 424478 600149 522584 461478 549938 736111 489620 502698 858439 896267 915244 518054 505881 516336 715089 666141 508229 861514 880399 537635 396625 350589 730464 578803 547807 822185 734031 713603 794286 688593 620148 356209 416281 589415 878070 504839 529224 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287429 265075 151591 356974 180113 75439 351654 63212 87361 200073 37035 153636 97609 108321 618975 41224 138246 261410 752269 399794 196749 105225 281758 129938 195226 174923 176940 386022 373020 135916 365426 421583 767760 1907014 138593 203989 335564 77161 104872 154920 129945 160675 98653 423827 65917 441949 199301 192503 352106 252745 387702 171256 659065 109413 194812 1294614 242965 122713 56290 99941 47653 110719 30566 384575 245271 71353 112832 37969 104484 306521 126088 113594 44149 3448026 104223 768693 1155397 150355 458471 63403 302057 4261411 551163 347549 424375 841563 797408 168446 3213064 374755 74987 291654 158108 1446590 99010 19445 331993 271669 207291 114995 194708 61073 96944 281203 44721 196851 445379 260060 80374 793797 133292 86152 32090 63732 210935 89561 210790 isovalerate (i5:0) 4750053 3630255 4075610 5713356 4303665 5464563 4279953 8298471 3708500 5179031 3594170 4495004 5151223 7505964 11640681 3841923 4662398 4145516 6292850 6867211 4507056 4564874 5223027 3941855 4917720 4128652 7975043 4824167 5460196 4237494 4711281 5305394 3320717 3809319 1968592 6425501 4871190 3902507 4186874 3979579 4072515 4652386 4866821 4703880 4172928 5251255 2710873 4422046 5379148 7295717 4377999 2588790 5861823 4904726 8832637 5673256 4249508 4933724 4001211 2469028 5898152 4634627 5013835 3718677 12519007 1908994 3748688 3791439 4668095 4617972 4805561 5937198 8527079 3965142 4286935 3173979 2978221 4045601 7098627 4598441 5271198 5219159 4052405 3881921 4257338 2146807 3465902 3714503 8502487 7193176 4546664 5687099 6709604 3609754 4589116 2651142 2920515 4310618 5086629 6523631 4037113 4411148 4078541 5640954 3944694 5959085 4034048 8446044 6828356 3730483 5714586 2931376 4897770 2610853 4406932 5053590 6588212 9505906 2969976 6790331 5567576 4604120 3502522 8868027 6060968 5592517 4339577 3929296 4585991 3718671 2938976 4246484 8051924 4144530 2474351 3602013 8022627 4205813 8042127 4034648 5648633 3220958 4773269 6011607 3494749 7419941 2335778 3902572 3457070 5953408 8122800 2338596 5589994 3480335 6295133 3233718 2799551 7061356 6063042 4541124 3720523 6078919 3185745 3986049 4084276 5281592 3610158 4354384 5139730 4271838 10727065 5825827 4162371 5172043 4345859 3850397 6579965 3792819 6717864 4597973 5396984 3350814 5789101 5487287 3385559 3376023 2288608 3739937 7168534 4565366 5806827 5264402 6291713 4085653 3749578 8682119 5747101 3567506 8297807 isovalerylglycine 121456 62968 156513 192014 182161 106701 748589 52799 163863 187276 186565 168830 180132 128774 280581 186897 107752 213268 227507 131986 118917 348847 278921 122851 106941 109554 115199 258988 111521 174071 197170 139381 115267 67825 207811 137439 124292 201588 293899 170808 71635 442543 182318 34510 139862 125453 155022 193919 181958 178976 82202 246744 133123 102778 296307 387502 187004 154026 102581 154730 556416 102768 126109 601772 64622 88500 74337 203437 114907 241486 230844 151432 94141 115905 200381 416956 156362 514733 116234 280723 175227 577014 193241 347358 196723 215475 345789 157202 105994 278345 181759 136513 179590 500130 192417 187283 121398 98359 85593 122608 205121 678579 319706 265474 425352 522226 1781548 123455 kynurenate 607881 386290 348384 688842 568182 510494 253737 506580 95815 341084 316208 259410 244312 382367 2151252 265671 54415 169471 309305 404413 580440 322455 429213 352695 362539 175432 367645 33064 501250 239849 616155 178186 378022 157263 241490 171200 359228 256059 201434 217023 257630 108713 312858 453640 250704 534881 470411 352151 308679 370127 543151 564936 87316 448434 566325 578325 284222 712155 334367 570684 281464 106255 610046 37745 308823 391710 390805 364814 266223 425962 245876 90467 368404 336205 243312 249061 412233 448757 388301 341604 278658 272970 215698 208638 176465 405136 605199 208558 166788 163708 233780 543171 578665 270598 759611 539968 182139 265038 243020 451019 2269520 636763 1437079 620939 602007 492590 800289 635152 846499 142571 380731 342525 20765036 609759 184299 1220757 1424215 3595200 547416 1629403 959062 481960 483553 305538 1103666 177939 1190651 834528 136694 1573780 452582 677325 1611486 2314187 530057 410260 1666119 835085 672745 402505 1162467 174798 3260713 1218646 789916 738291 558759 491695 691383 1053079 1290564 266231 689019 504513 373181 1180435 517662 412681 2131274 861734 727124 1938181 877996 609829 1073359 1976166 393660 572178 441001 392689 1607296 65267 385150 487017 602158 350817 1784663 542673 936068 739603 4097154 470752 425514 452670 157490 330247 490830 274697 528377 579204 1049436 310293 59229 233928 304569 887263 375390 211119 61400 linoleate (18:2n6) 2153464320 3824044800 946162560 4173981952 1434574464 3005617664 2182857984 3844912384 2044856704 6170710528 6842245120 2984554496 1481052032 4197791744 6883788288 515692576 1266456960 1650951552 3790940416 2326448896 5332254208 3359031040 3365883648 5349407744 915019904 1477733376 2988960256 3272749312 2646855936 4193275904 2262156800 2362014464 4843173888 3176731392 2965803520 5317001728 1666518528 5440988160 2496026112 3355877376 7306692096 2711110656 3571687168 1575094784 4800987648 5545846272 3666781440 3719085824 887089408 3100237824 2194229760 735577088 1257005440 3439056640 1022602240 1263499776 2570534912 7711591424 4188181504 6100769280 2320698880 1843825152 1225763328 416630528 3311709696 1874792064 770743552 4043444224 5761723904 1457333632 5380730368 3668838912 4435017728 5193350656 532574784 577737536 5998158336 5424523264 3275851520 6571892736 4476014592 5756136448 4870057472 4548213760 4688644096 9601162240 5624784384 3793543168 1456976000 975690176 4144657920 5893288448 7340891136 1488706048 10406389760 956715776 1532032256 5676537344 4593507840 5662832128 7825688064 2917101056 3087886848 4255301120 2862798336 1703457024 8720441344 4111502592 3792750848 773768128 2165650176 1395802624 8092855808 952461888 4162413056 3512737536 7466507264 7205118464 2187892480 5224251904 4994224640 7443274752 3308272128 3590271232 786947264 1859762432 7079315968 3042482944 531113184 8242683392 4636153344 4892943872 5298769408 7758960640 2890440448 3862767104 3577748480 4365276160 2682285824 5500208640 3751732992 1497238400 3733003008 2948604928 4995584512 5135178240 1500944512 947121984 7845709312 3158028288 1271891712 402758720 4799160832 2951035904 1271523840 1089969664 1290772096 4180100864 4134590720 3213145600 631479296 2466988288 1764359168 3461906688 5142712320 1641624960 948164864 3540207616 5311973888 5632008192 4210021120 1882422656 1646703872 2905968384 2387019776 4285950976 6789465600 1045353472 4596855808 1883668352 6030201856 4139341056 6481065984 2807423744 874087616 5790152704 7684667392 3262587392 2955030784 971945024 9295434752 5517646848 2779490816 1366565760 1004713728 4859330560 1190590336 3804023040 1747960704 linolenate [alpha or gamma; (18:3n3 or 6)] 31504952 91051760 23873166 56841168 24518516 55594416 63490484 70935496 54516424 186846240 193049248 119524664 31045766 110801576 254366304 12923622 57174560 35190360 68057664 79866664 187523728 145866176 98262448 160384864 33133518 51773472 42478608 171952976 70624488 87543328 59393692 68433304 123963232 58901524 97935848 92919216 35256008 283214368 62439376 112728096 309062528 101433488 153083920 40323376 150226560 166987504 133583072 155539648 27722134 95500320 33908060 26386540 26368514 90576128 40464992 17468712 77082416 278230240 106470928 189668928 68614080 60105956 46712168 27241340 140536304 76968568 13953777 148644384 256987856 32211252 177679888 96811840 125138312 160403664 11676658 18790720 225585872 163859248 100563112 278568128 136992112 215152832 112990520 66913564 143113984 311439520 173973760 172263008 108867432 25365002 72227072 173117344 346410304 36362688 252886400 26568478 35414916 201327776 140622288 123480352 304777376 77046856 52304068 75017064 52255424 23700424 312881632 86117856 88358800 14932826 75628568 65077876 303541856 23527166 102519176 115514856 362041760 178422224 50231820 243309952 214131584 306130560 113095848 112159472 18174624 29507366 273752640 74630040 15071268 230536336 140501520 207181760 122468936 396056384 93037328 84392640 104659600 169595920 52914392 162186896 109929320 24912982 175664832 95285792 189342064 189749328 35970592 16755013 259930864 84334312 25434348 12155454 142916320 74705328 31805904 16214890 25697040 134881088 127635144 101547800 23891922 55958556 39917052 91077768 367800288 54754980 14557517 114985008 199969376 186248912 138142016 33771128 53379264 108026624 71377536 102395912 214599296 19477762 158545376 74059760 200398480 130496544 185237392 41026684 18679758 176765488 280062784 117663296 178278096 17291710 268058128 174542064 87111040 17871794 16282356 120580776 28569890 93251848 53664512 lithocholate sulfate (1) 167419 156798 167613 90117 284160 80768 70799 51283 252729 372594 20712 912858 5214782 387501 87903 475581 54583 40201 210064 31208 1196330 457786 391068 71157 736326 179075 2161325 617531 733326 284710 157103 75457 185083 51673 468268 84610 151582 82756 589061 442085 125155 245333 411655 601590 121326 84311 108709 475235 101677 187139 225820 417147 462833 88371 349010 38496 783833 1252307 364401 180955 276459 780600 1044295 177631 510866 153109 62660 43169 47706 591324 345292 393700 101866 288488 521892 2293771 209243 385572 424025 48837 102941 110382 342930 200545 1433298 50314 182140 106199 180093 159840 180544 798140 142951 276040 499067 797001 563973 1049360 2126597 291109 1543397 1105993 369496 614434 203390 503223 2038032 157867 353981 299973 1372539 600664 1415816 679165 154802 784710 941356 1790703 1587525 619025 561957 228020 846464 3811664 11855365 207892 37339 991729 1111318 1065588 1459213 301006 440558 487183 652041 70762 340596 138672 979605 117113 712924 857612 1085863 161511 144478 147810 2136979 2497361 129109 790005 1782804 1485346 1828646 4028495 169619 571622 417300 1688377 1285283 135199 801007 201396 914896 190020 3068885 331924 729827 157230 547988 77452 6581462 717932 51152 89778 1771734 197294 1325695 364955 205883 35834 1112099 910612 1468730 598811 463206 1463703 malate 26785422 30532814 27475678 46211412 40656532 48021208 28358410 41994952 33855676 20870026 43932376 22350948 22692054 29268644 34317688 19452928 33864348 24182246 28022812 27213450 25760166 28645716 23156892 36872520 22664394 20560154 29926556 37048196 21239968 27670452 23972518 38192268 44823168 25467694 28005276 41181144 30279934 47362968 25744222 31642662 31704940 20476210 27538640 25067042 28936622 41578140 38918876 38095600 19038450 35412508 53642688 44706636 21403340 35485924 25016124 31745114 28845214 29216138 37768900 33148528 39058464 23453530 25395866 27986680 33360308 26962456 15051093 34556396 39499236 34145816 29743136 26619876 26592234 25192422 31609852 30477140 35513848 31719298 24046010 25215642 33376658 30166380 46304348 20151952 26932560 43852740 29823266 15094731 33847056 41673220 29714888 22151704 31390038 35244132 34387688 25197304 39364352 40799812 32785856 49986272 34871608 44663080 21943696 44063440 23072628 22060540 34317668 33460016 40795484 14356486 19288494 28780980 50217704 22354182 19668432 28532128 51290520 54633012 23840794 20007226 46560664 45166476 40965584 36284420 19761486 32765022 51285528 42622644 17577792 40875244 41830268 27132230 34690276 18354564 27171874 26048924 34304528 20258236 28718748 41277548 20245848 19244324 40137364 21143944 17750808 34509320 25826810 18806510 32595946 31218388 45680656 32470910 54819916 13693959 29851510 40827328 19432680 25736802 27132446 25680214 22637484 21323434 32283994 44828944 52306372 29403900 16845596 26270788 24793170 42370164 32180400 30827886 19831708 44871316 35724200 38206064 27180608 31583626 25518136 22384830 53290468 27373566 115914136 31724666 26866854 53822016 45017976 16862948 23698078 39266864 33116280 23797334 17891864 22157696 22317858 24935130 21457836 37959404 22882200 margarate (17:0) 57056304 101118808 35386592 93804552 38436156 61452820 51152904 62088544 47867176 172841968 126799264 72919848 37507728 114823720 281087616 28363948 56102768 38612040 109412080 75339552 113588024 97746384 76886368 138367008 47723580 58329828 62863372 92996216 61545332 77132264 42357272 96892112 112596808 68226432 75726544 93531232 49868872 174009296 68402200 110318312 204112672 93431768 87510000 54922512 98139744 122399072 60109672 106366320 36495872 102694712 50187108 28912638 48639000 89277840 40249596 42431272 68904352 159999072 89298800 107575920 85636104 52546160 54468060 67849032 149523824 60082056 48426096 71492472 210935552 43042176 137321264 78306760 148248912 121732400 32644832 33016684 148726192 105296056 74553552 164822816 121936224 146919232 123651336 79071912 108628784 175571696 124242808 99879992 84816360 46309180 67098832 109757504 171532464 51851760 151569504 41813084 67856120 112752616 101100024 125961776 228136496 114368872 56537196 99615488 63465612 54576968 171591664 96690752 192411536 33053432 60261944 52761372 200594544 35526232 67365536 108113344 188473856 147019328 53191964 130597504 144440816 200963264 92645576 74656328 33797464 39816236 173978896 90260528 30441304 159156240 101421696 120707472 189743552 229209696 54821212 63855232 82510080 110098208 93759600 117640728 96977592 58443428 110557272 53601924 102215568 130810400 48081208 35991864 227450128 122049576 42536116 25312010 105150072 76436752 47502992 40809844 56819576 93212728 89651896 77560952 34377660 73008408 74475400 126204368 111467776 73691944 48104340 83716032 114459384 149996384 119483768 64871360 38912620 84535768 57226132 97973088 148924272 40806556 97981024 64285812 108100288 120433272 165650560 68906152 43284120 100716360 134479408 75048248 93939496 42930836 171264464 132935456 62043076 37410020 45154968 151962960 42293816 83327056 51565352 methyl glucopyranoside (alpha + beta) 392566 755440 489738 743319 529412 285141 684832 584215 910064 824337 547552 639560 1481635 1321649 789469 627433 1087409 938122 658411 1125133 434375 1762512 517521 393592 460086 530508 1044485 940629 805997 906441 1665164 542154 545320 342080 980978 598584 495369 878403 862183 365572 1111842 1720927 1297069 355493 1136219 639535 474924 614808 695369 581374 879686 1254218 496225 788423 216185 1139137 1292696 779046 430322 564345 1994628 546550 280606 949833 1530326 263111 791953 781366 1039869 252515 1220858 832156 773752 893595 1044706 713386 711397 411877 396295 640891 1078595 582103 264863 861474 689496 926953 578104 328824 2410624 595016 769427 596534 957100 1048705 754969 312996 1553205 222810 745103 269271 474288 487449 246783 277301 269491 692349 367702 270374 439219 496156 249231 588520 457213 261781 583960 472986 165314 375605 1081078 828658 245362 574296 1188755 324308 185667 420268 586748 278724 496939 705424 454957 400919 266681 151212 558016 250134 222217 298028 462890 504746 159342 406702 521901 192797 591869 476194 198856 338623 164623 173218 363496 229545 414746 73063 386169 527167 285874 257058 118972 1081405 808870 155180 144224 881908 631412 214660 455595 467482 477414 318615 299039 702732 223120 237198 336696 464195 98752 262063 146488 273783 497934 282903 310720 391079 627866 335140 731451 424044 652160 878909 396153 479679 889881 179817 438637 296019 604087 466188 2154558 methyl-4-hydroxybenzoate sulfate 615856 81054008 171059 274814 3681692 61247 216524 923716 177057 587316 156097 152231 473934 64517 355974 290246 133314 72569 94638 52313 812823 13886423 99396 1471611 1708548 1891026 25454 144364 103359 24324572 322697 2547860 1235912 818510 400664 173984 324421 240500 352533 382941 112502 63624 25362632 139440 157940 128601 3869541 11619982 9293720 79246 20212362 215155 184051 14009782 64547 56935 31853 168348 1721623 97979 97235 97759 80308296 440872 448762 126071 795025 45656 49203 118677 23253 426041 261976 68348 62532 207424 78439 214323 88788 101553 1216769 1725895 6589461 203372 623131 365422 66312 74234 21782452 1609448 150126 35542736 21176046 92832 139736 341056 1593738 82290 223365 440246592 71748 294814 58810972 349092 46482 11160000 29109816 6255842 240622 122054720 4761383 34156 12748155 23392 56673 100690 71473888 126261728 164666 94013064 88622808 18294740 26500294 5715747 7534420 4414381 1814276 6521198 181671 44329 53844408 109045544 12511635 2046814 131177 20474230 147149 3204206 872376 177711 118229656 7608534 1360707 76742768 2791476 6215298 99073 7919253 26184 111167832 574285 383736 103601120 142764832 4725630 140595424 28223770 2801962 240574 54889100 3278071 387306 79733 117496160 37960 65591260 55823 2760648 328162 175676 32722 107141128 88603 913990 58462 87609 140113 125506160 89178 25497 27714 4779502 345876 158561 99228 158713 36697 9971793 methylnaphthyl sulfate (1) 1039953 718126 1934405 427663 4003487 1733255 2033984 692563 1253716 1286720 2906232 942211 620479 128219 129867 821278 654975 754500 351721 44872 86203 1141478 525737 87366 67983 1322485 1653809 1391810 1307695 1034728 764782 675099 1045990 672189 1869264 49033 58530 331242 15788 104417 676991 1176608 324899 1372284 70057 2856192 840330 673365 755299 552395 1240205 550233 813426 577134 550050 889127 2685556 995342 1053586 303156 1388101 1525357 858139 2143778 866712 623260 395172 680617 514672 22964 69154 650739 783607 59436 39810 1168224 113163 1596139 2752033 641126 535147 125054 762879 475311 774423 2595483 781474 101692 1048167 598713 95327 996013 292358 1207949 127578 2162660 644994 33892 767156 227249 339979 197548 95281 469079 101632 methylnaphthyl sulfate (2) 653117 217163 167451 1054070 3138829 538281 2184055 1156711 1523667 269632 604644 143262 747432 1448837 1552638 685008 1259899 515534 498238 545202 288225 629117 529655 411134 1256447 1184639 635946 376013 294528 297324 666649 492748 857453 186050 274321 1013537 366217 2324669 568985 404077 462586 627005 2077769 589919 209420 1133697 928065 1176305 839990 335033 1121125 685864 970281 501109 441316 462939 282130 858905 379179 501479 670867 2626965 726153 701175 721565 778816 592581 1538712 1041397 171213 801574 548720 1258274 346092 267755 545017 722229 1209771 550313 403340 2871871 478165 517019 1795209 518172 630219 696652 344019 1113434 1297790 646022 289748 474137 415616 2707184 234980 1111817 772950 518783 412748 162414 225543 569003 1577714 1113872 2417669 627026 1057982 200294 415290 335159 1002686 1380923 909893 1596488 675194 415070 263740 253932 292225 189677 559196 582044 259546 1062509 968716 531826 213645 397442 592963 1039182 854394 668204 150478 429029 840600 549719 1393832 886979 357581 476514 558466 1430300 639204 159344 969739 338432 764641 978996 246851 1437103 710759 397591 1161056 474214 477698 204420 1181685 352077 317835 1599797 2120806 493738 810616 369419 1378158 417139 1854041 707132 245449 390233 714802 961385 364276 173452 331851 537444 940575 429313 495402 1922721 398193 472858 1361889 330102 408489 1613045 294258 1111773 611651 551237 448208 679897 532702 399888 803252 900079 498547 467181 metronidazole 50272460 25639322 74905592 myristate (14:0) 144210880 300561504 136838480 191979008 143974768 206123216 214031712 221545584 197896528 432417664 438702656 289510816 140898576 282422272 1011629504 123621704 173174496 158334128 273031872 206989984 486720928 359262304 381116576 411333664 157538512 189612272 191306784 357066432 169450304 319053888 140524192 184102256 432569248 231022576 261193408 303393856 141364640 572895104 208781616 352456608 757569920 287222176 430664384 178221504 347455872 431328448 320191456 412924224 139358768 364708320 171482416 146337648 138931968 246408768 117859240 127230040 231240208 512684320 326436224 494552320 211892768 227716304 246866080 153255984 435252192 276855168 112437232 491211776 567131136 148147776 398895840 289098880 327778048 459613568 99320832 128540264 601106176 339432064 179626640 670387328 331819136 477605216 335031968 386636256 514166752 635790080 891033472 489727712 229795648 137348656 235743264 564343168 431627232 172006016 569830912 129047896 155475776 394932832 302120032 318518432 821385600 281159040 181411104 273851584 235993264 110406040 886693312 281732704 224329216 102174760 169882032 164495680 847238912 152913312 203020432 442586208 639417792 464748352 221010592 406590816 405704928 1200608768 252930848 371446944 118748744 106348096 692177024 241460640 101041440 763705344 279756224 626403456 360748032 877418688 260727072 291059776 316087136 496943872 170580432 512498496 293501536 134256752 378174784 386847808 428389152 432221600 121898624 122588584 631302592 389825376 140034752 121274728 350785984 196098832 148987552 109734840 133218176 367404096 379445152 269623968 138446768 194957824 157644560 317897280 860225792 138978240 114724416 375003744 546943936 356418592 304449216 169464816 122141232 294270176 155383856 254356416 547953984 114305064 362189472 170393664 359063488 302044064 437759040 245926832 188810112 474990752 1122503552 280329888 387290240 105344944 734991360 503802592 163284128 140814576 110429472 366036448 121708376 245504912 120113320 myristoleate (14:1n5) 9092838 27118358 5895049 8080550 8603431 24491564 11388486 16483729 11282177 65687136 57126900 20386080 5432508 41754852 173341280 4283950 9388115 12858406 11115581 7336296 55251884 33177570 45330768 40823328 11189357 17644022 9055209 31202626 9066496 21041614 13154537 12112154 38583668 11652705 42542612 12514973 8334837 82679024 28360552 47935468 56310920 24971950 42244532 16878290 18878188 50769248 50408044 41151412 4563562 30790256 16465906 8016433 9821418 23601644 7908074 5464500 21688902 85602016 36421464 82943032 15823142 24092514 17133266 5936216 31137338 35445432 4690626 64616108 58442240 11766659 46894672 43782168 40835620 48608064 3011512 3981874 63525580 26808988 8888795 72511360 34414276 91666376 43506092 46292896 61209312 65190012 110564208 54078716 22831884 3284218 13281148 60582196 59600768 4198847 31759216 6298783 8507943 36196160 20014312 27964940 129534720 42152360 13370554 25052226 29843388 9396477 134683632 30158842 41027852 4565869 14059449 10355923 130167592 16260424 14154430 84602064 145541168 52400072 19023380 39862868 59444208 139263248 35905424 43510592 5485100 9611594 69022848 19836534 3451437 73794304 34366472 68418440 32074872 85314560 61582540 45442584 47829756 46042016 33012732 63179172 32318842 9033573 49625396 62857496 32683920 53968576 11109204 5393000 50558820 40416312 16217175 5141537 40157792 16482303 6099487 9497524 10456138 39452060 52197136 33646408 9434885 43865884 7583540 24121828 164041792 15062371 7811592 52726704 61942068 45715268 41759168 9359283 8791050 30611038 14045967 31439628 63570112 7716404 30958124 8895508 36187820 63743616 57175352 32873532 3913671 69837792 173636400 43917600 45020344 4790514 84789456 72271064 9279597 6579791 7652691 56300996 8234382 79327296 9318715 N-(2-furoyl)glycine 149387 276969 348575 618142 738765 496117 149605 298235 337152 211384 53776 909567 567139 332722 570210 720233 249251 67946 101765 274761 819612 841636 2119471 212384 117634 313683 153254 913436 65356 114457 962492 114079 357522 85308 161224 46225 32643 108354 123976 159915 154999 750519 1159540 371652 101561 237423 75009 74383 166602 165035 95908 146617 39580 411020 377419 1293850 32976 29523 2123952 1266763 24754 37025 60394 813046 527604 338840 611199 294130 1376790 445627 35995 281410 373478 86855 216043 272964 524356 135215 106289 211033 169720 136882 30971 55992 1398754 159626 255234 117216 393455 75479 192533 78985 557672 90989 30475 46135 208597 561702 23074 27152 172838 304415 25672 35153 238437 797793 56421 76701 125720 150624 328760 294581 53016 31638 196804 19826 142247 121632 86767 30092 80775 360962 133081 505499 90152 204326 502257 1001302 48259 116470 141097 229186 N-acetyl-2-aminooctanoate 2064383 1621405 1879988 4309764 7535588 1195216 2862856 4094728 675194 1639110 954834 835508 2340014 1336201 2229606 2503545 992157 1925186 1493846 931486 535983 3621281 2272775 936575 1058597 1413854 1458840 576928 5385278 4539341 11411738 4064450 496794 2195311 557535 1092712 2310941 586721 1928758 308490 676209 167870 254501 2243684 758705 1150571 2583365 2565468 2952346 1876836 2529798 2009836 2024664 2139567 7196790 1924306 2280702 1242615 1372323 2620282 735095 1002018 580958 732670 1869906 394281 1522688 1294506 1992266 675934 698969 1927096 1170463 421218 902403 1308106 890653 2980428 4196770 1176280 1167138 459144 112221 3874937 3057251 2819601 1074695 772223 374804 3271314 1106024 543082 1030049 869075 3435226 5704352 724154 2059778 1230149 677842 780738 764115 1115888 2841798 769174 811528 1538371 273860 1558074 609303 695788 312450 358639 314397 1004853 599277 707657 913089 1119417 639372 455239 1160391 672707 229047 988645 3879271 756045 334414 1624995 1756674 4776470 466998 657684 1499482 815947 779511 668909 820510 2227510 2332789 643047 816729 503921 4374581 1034809 650372 812354 2008227 893476 2758947 1530135 2033543 466131 280320 3583495 1819066 890935 208481 516174 1018711 731561 161152 354819 883666 1029269 492970 420902 606497 451666 1121613 656131 1456460 1461454 414764 3465393 2699525 686704 2147283 1944031 2755673 1649000 1384764 38912 233449 3398531 935708 387057 786689 341580 1517982 627593 257385 981183 1273159 498085 393770 801206 610481 2049232 N-acetyl-aspartyl-glutamate (NAAG) 261312 243245 165274 243506 216577 169123 149397 183239 162748 142381 181785 154947 126302 363235 247406 139956 306443 125371 129268 193497 176834 390023 177774 330546 95200 292792 276892 283231 69845 153848 111048 191103 411309 162900 292340 186410 250941 280045 277810 143122 102128 229040 152400 85391 135813 192766 215817 104198 149567 95916 355934 162827 179005 127424 174773 139922 120336 80452 101151 316332 169909 270782 190487 188103 150964 187186 210663 31301 80697 130766 217627 210394 145466 143199 222537 232394 324012 154789 124396 101754 158420 118406 244516 104762 110024 145506 199851 138709 94401 255080 233229 130024 101404 206708 224895 317634 353681 64627 431029 294424 130927 148175 173207 327156 282912 139131 272388 145679 176482 210252 202311 183286 499180 218825 114381 253078 232165 238992 105431 202774 177784 346751 240290 296956 162889 318300 198275 354703 57870 155614 114795 155869 171983 330088 205262 162915 178925 297543 114808 317882 92886 518137 204183 175999 180817 297588 202824 98371 177251 137437 257760 110131 190180 80610 138935 159243 147164 96287 48752 360366 143984 197952 178071 306196 153696 135313 107323 53097 85154 251369 185403 209781 90181 126175 276041 259159 229850 112014 76269 88163 331818 133732 447783 102241 111050 95246 130195 138642 84179 220250 202077 119385 169079 145244 120371 118001 264296 113432 103186 N-acetyl-beta-alanine 816135 582162 834037 711156 1155991 479049 693805 659115 698579 930739 986192 914568 1009824 1332139 1666498 933609 748838 734751 1104276 750836 1050927 970476 593707 831281 581154 864620 893655 1019019 934840 867841 892953 925186 1019867 925992 771870 850757 944261 1055160 1061983 628583 691542 865982 786333 205397 656287 511621 677543 725879 477629 1007836 1071740 794437 704636 856922 1245818 292700 493329 1056384 778724 865820 846498 1025004 771279 869093 878057 1037786 808050 619974 957805 923993 672996 912017 648378 634721 598337 795216 863809 731542 622948 945994 1155235 1096767 973691 1091369 1452909 1161453 1220359 1190796 1604285 860134 510440 921288 961338 959716 742041 788810 889875 788685 908074 1379571 666728 988303 1238486 974624 1131514 1501410 483376 982602 1340014 1171388 1145827 2009698 1549924 1275751 663219 1259802 1033150 1240445 1021827 1274441 1053564 1419155 1345611 1229208 1432838 1206856 1165751 1108397 919491 1153499 1591761 1026218 730861 1093134 1303702 1200782 1092700 1203913 881179 1017693 923463 997004 1192551 934178 595355 1682464 1193888 928561 983125 1430111 992069 1002915 1008094 991144 1482470 1067113 1748077 1241632 1133706 1158566 1216036 854852 1114447 1134527 1136261 1177014 897084 1107484 1079391 448961 1369676 897412 1200934 1473185 1222686 1350618 1089956 1032110 1219390 1377275 1026028 1412178 1111478 1199156 917460 941245 905890 1481997 773904 655067 993742 1243618 876852 1167625 1459443 1318160 1134827 1398097 N-acetylaspartate (NAA) 2405587 2209966 2299814 3257594 3311440 2311328 2107457 2562665 2228371 2206658 2435944 1929988 2097406 2660546 1939366 1735336 2170633 2246767 1560525 2244687 2369839 2686310 2158469 2224740 2017692 1925087 2866021 2762485 2531621 2162209 2948917 2261930 2710736 2175992 2972652 2695653 2972647 2279919 2696809 2574337 2589973 2200195 2623131 2994609 2046451 2207764 3413272 2022430 1895802 2045416 2372495 2524967 2337486 3141487 3482758 2586187 2327623 1689991 2867854 2555807 2396096 2265287 2324599 1907542 2248966 1556050 1581355 1981807 2504111 2330742 2100827 2115948 1809518 1813979 2042373 2239433 2300323 1893763 2062086 2302530 2283472 1775398 3319228 2164288 2553373 2454169 2917576 1547833 1829137 2928731 2063245 1049190 2529986 2199156 2212261 2667357 2830741 1931684 2046872 2100589 2103196 1334351 2630803 3096653 1067389 1513797 2671322 2090447 2226314 2083534 1745049 2155262 2499980 807238 2107939 2138993 2557768 2325555 1482968 1670288 2149274 2772813 3000884 2360870 2224088 1918902 2552814 1683016 2129500 2728957 2865193 2244342 2911565 1963826 2552926 2733234 2120494 2475919 1809407 3000517 1981297 1584282 2663872 2957960 1797879 2473819 1208162 2285721 2464366 2261375 1784230 2645886 1580374 1408852 3022084 2372214 2188709 2393126 1842270 2121306 2133988 1769005 1525953 2869493 2365435 1899865 963556 1843175 2110638 2789647 2867713 2994411 1703095 2153032 2840570 2813611 2019335 1915275 2410443 3096052 2847942 1442075 3451575 1883939 2651346 1746642 2727384 1649151 1726945 2339490 2165914 2407284 3189927 2041044 2575363 2503139 2758080 2562834 2687335 N-acetylcarnosine 312461 539004 191406 444831 549410 360650 233056 334737 122101 606414 347750 356735 538339 233363 171261 186671 184909 676989 415710 421923 453270 445087 168371 462673 329537 233680 502062 316083 472178 131626 698251 352160 163591 191055 474408 151800 425970 399763 142395 192937 521561 310117 381667 247158 714255 453779 418262 381692 215921 465283 257428 277740 154092 747191 1281021 1178580 420374 258932 677563 235654 517199 361293 430599 168432 432217 306971 378209 538064 233972 321202 554759 178162 372468 516268 410653 551383 262918 680768 687633 453664 566153 275550 79323 323747 279950 247495 200544 162519 180833 260820 157136 297405 309430 453362 187160 158703 428830 358665 276241 348008 460633 207805 435257 582026 272634 348198 196655 124395 743871 378942 547802 463591 148796 361000 240179 180085 450795 366180 235286 252219 502122 360091 248543 375796 203404 206769 499230 254519 486320 161458 689930 258922 209540 133373 670582 180217 279355 398116 150437 271464 419846 328286 457324 193293 798095 532217 326149 532468 237142 263649 225721 148351 83931 728830 965918 1211314 437504 231895 695160 214957 394248 497877 445756 207904 443141 279781 179793 683507 312578 333958 425988 164063 358382 388011 348455 401506 290651 475592 457550 453873 808402 236347 147496 303050 433842 154570 132281 367314 283372 686608 155959 394238 444546 224519 415594 130068 342024 169920 686274 N-acetylisoleucine 203328 130227 216155 196825 266423 198748 126123 309293 115365 129708 140200 129317 224243 202219 362785 130172 208114 162323 221089 269485 191176 143934 89395 207629 116408 198940 221270 224584 164462 169980 167552 153963 91653 142946 148083 211649 234123 144644 131962 138613 133801 137390 136778 146852 173926 130555 142241 91475 130233 202240 224154 109053 243517 106109 201244 185520 120752 142859 135027 124615 103608 161702 125485 95272 266079 98838 205157 101754 180885 162804 159765 157797 149053 113413 203566 193057 165423 168213 195691 90982 147589 179264 121452 286693 174755 197098 230606 135707 213104 218980 151775 82988 161685 116573 187319 145788 197837 142134 152745 119161 203563 126742 131539 135036 111417 136337 95038 74014 164681 164033 100499 119727 285414 94618 164807 123602 143204 251536 128944 114382 162546 68411 93465 122310 225727 173976 156467 79917 117231 137200 101530 85789 212442 214126 79349 165481 160763 163779 162072 100837 170496 176784 184210 153083 69088 167241 688942 195709 109758 167999 112148 163737 142030 121646 154094 183163 105376 208762 192468 115583 183099 268058 119803 160055 133734 144622 127646 113765 103066 128874 173302 157430 129129 139842 190177 135615 178097 145790 127097 336357 172589 104694 110298 326223 130049 155797 130587 140267 117039 242800 161888 182937 237659 144132 98787 194496 223448 145682 106751 N-acetylleucine 268290 228985 321811 260966 354887 256150 151576 583820 220711 140844 198458 164984 239816 222703 595441 251030 389767 255513 281816 444394 244149 232457 239472 287522 272768 258227 309824 307629 240655 249572 233157 185774 117148 219759 149003 332716 321392 198721 341147 189479 180539 256698 210440 209165 189640 162587 226970 183762 172140 268190 248227 197553 384687 192943 279101 210497 141110 202698 206921 175794 105180 178639 142846 247957 318836 166946 249116 152894 221630 241860 202178 268143 165071 208139 318479 234759 249492 231533 269129 181370 206454 229598 158001 379757 261832 278452 289983 203924 418762 266891 247885 149599 173783 208003 279573 235742 322279 227188 210665 196044 351979 252148 203544 366077 151825 201678 177656 245649 443995 182074 324722 193573 648812 225709 222865 245608 284722 733667 250279 274133 265037 184893 162499 258959 433492 238741 302692 227857 298988 365578 154186 121398 316477 543799 168177 193296 280998 276861 266601 259889 307111 267782 491394 259607 169147 314312 374129 225613 202002 292598 186970 187614 462803 134464 187487 283489 197040 319427 316128 252148 216336 287150 315138 348924 317613 437828 186128 209367 145674 174109 466951 237613 233799 429312 289913 288431 470157 233108 244902 227768 336653 196353 211716 624558 266742 283470 206749 236672 307630 363584 383516 164396 551125 199020 173484 244141 210470 135607 196790 N-acetylmethionine 2326875 2111383 2119641 2635794 3700975 2474125 2565109 3601625 2310045 1199660 1956842 1799978 1153554 1517500 2131907 1413333 2210239 1024845 2025238 1919782 1122285 1357190 1451032 4021066 1145460 1522619 2664730 3007815 1413153 1183512 1236114 2264274 1728632 1683636 1627189 2507129 1828098 1578750 643574 974833 1820456 1162007 1397288 1148760 2468237 2363932 1326974 2164144 1001066 2046550 3376145 2414229 1236141 2419754 1206054 2060054 1457425 1845725 2002282 1799652 2755998 1278256 1792147 2512586 3114719 2178590 1268162 1757416 2198436 2109442 1179925 1279869 938265 1284879 1551499 1780949 2158622 1760544 1320183 1049482 2039074 1506445 1248822 9490928 2211468 2214757 2526828 1497921 1793532 2291299 2330897 1191888 2005394 1680008 1082107 1350063 2459680 2673954 2844665 1562077 1367299 3133144 322042 1552353 1186037 1323325 189085 2204429 271843 1929324 1636830 212939 4663432 1216021 295480 1491483 238973 1157048 1207863 1378554 92975 408324 47354 3990883 151339 1945031 122631 329016 889816 222160 1060300 1267126 2127560 2196396 1289874 1481470 1899266 1505835 1058687 1300234 1541379 1601605 1843583 1383581 1037316 1658351 1772589 1322162 905281 488400 1974922 1930172 1790809 1056802 83666 1734324 1274704 87077 1218807 1302971 1406505 1668146 509178 259598 3017501 147490 1067984 1488505 1117592 218188 125493 288093 75744 496284 567837 231246 188444 963365 24120 47937 766871 25645 8578437 2292009 2884250 91407 1655715 1835540 2914820 2025829 1241988 89195 1314737 1763426 915544 1485527 784405 22915 N-acetylphenylalanine 446128 280921 363981 397748 664781 192133 213973 468133 204380 164444 175567 195971 256065 206994 285048 215498 316578 202463 281951 347278 369208 239253 213624 239160 307198 339920 297154 204587 257234 235070 348047 212697 159439 179968 198866 288626 275721 213038 311790 124655 151820 178831 200587 266960 205462 147109 200410 181082 205184 247888 257341 180911 284563 178033 266961 229940 108081 228723 340440 277471 120187 130682 250159 313839 409014 309659 275559 157093 170568 267850 150973 188052 179552 273469 338383 297212 290823 147856 190943 156878 187632 164288 238650 209290 198196 278345 285141 184603 393807 349769 369217 115614 166921 223273 381278 266581 319537 181271 129507 299948 272497 274155 219998 715987 227370 370850 294161 486528 518992 243366 307804 200921 999400 384590 230305 257348 275717 436991 3783357 323777 242539 307876 237556 359616 432532 527664 360860 380705 333806 300915 325795 301206 492330 314495 206484 265591 282024 391814 355986 286742 289820 325929 554118 524069 274348 269907 371360 237597 187887 222090 400533 199270 835557 201855 170124 421044 249244 295039 476614 600368 194515 314896 425541 503271 778248 540553 247269 194203 179585 251935 391965 236844 372849 610810 260546 329464 1036372 259156 129641 176796 195021 177392 268249 371049 285414 309640 306529 229709 463278 505133 493130 154563 629274 213960 351074 208691 444649 229702 162554 N-acetyltaurine 698567 543178 706236 628065 902507 663724 517927 1486601 627699 330001 658153 758499 586240 920885 1234287 589122 805164 380082 619812 610307 453653 690573 498364 922404 463966 422768 732692 1006207 495691 589743 755830 709805 677709 746012 555314 591977 762055 986119 657579 547562 447793 550951 603309 534734 519518 432220 861652 627863 518348 822856 869156 752070 603170 729425 376454 414600 448705 581091 539163 566357 542402 671698 867156 1047029 925728 658661 512355 416282 1097082 628512 311364 778641 542171 463110 428370 573441 1014102 658722 511208 468247 633255 771656 451116 581397 602238 667895 555925 472691 501579 605892 657277 260033 444696 679448 635666 660754 833505 825082 694720 609687 372063 572721 274492 674081 436157 351052 613683 287458 488473 475716 440392 505503 1567782 565956 620824 527570 419619 431982 545727 404150 368155 391418 514056 422299 421576 508247 476839 586667 420388 549626 319149 423052 609648 616166 335431 348385 535942 469402 575242 406096 391145 520397 666860 381648 299658 462395 409356 516282 367386 649410 521877 642234 478553 348543 372249 625357 334118 503090 224905 421952 498102 305521 479655 643707 616584 567433 363484 398700 481496 524609 308200 514117 228367 410695 437267 439580 438439 589236 285096 493900 463914 525696 498742 531167 454473 468321 357914 421725 380044 993416 525868 442742 655458 416446 295434 613952 446398 303264 402098 N-acetylthreonine 2946822 2258072 2151633 3100032 3909049 2765226 2252164 2236574 1847898 2585618 1904550 2686488 2811427 3226251 2253262 1800115 2433130 2023926 2897157 2710970 2744556 2295800 2274281 4129783 2857825 2733430 2686949 2659163 2646057 2527588 2947869 2696634 2768181 2301814 2737396 2847327 2429553 3666870 2975889 2847612 2982858 2614463 2938223 2912658 2286866 2095396 2936594 3104553 2325655 3172922 3178615 2632994 2167290 2839424 2588754 2455564 2488940 1667424 3565868 2238004 3145243 2441755 2700664 2567663 3330838 2331054 2490628 2733045 2297319 1885789 3045626 2861390 2154736 1530311 1882230 2528822 3779054 2338912 2679930 1976953 2728600 1831702 3175684 4419134 3420091 2214981 2699091 2297043 2935140 2172862 2009478 1456625 2921371 2524242 2780336 2645785 2539730 3186117 2586563 1969590 1879821 1850645 3015105 4313146 2519362 2541993 3623569 2815916 2204998 2634139 2675078 2749475 3918609 2649366 2673909 3660228 2667678 5670631 3119805 2059871 3362778 2061764 3020763 3765588 2923504 3408048 2942487 3212500 2147118 2775942 3045628 3342022 4376054 2265692 2419268 3266559 3153174 3178730 1933447 3940679 3498512 2672025 4465928 2998709 2695341 3446095 3157381 2939394 3397896 2784703 3741210 2203995 2729079 2448544 2402661 2878850 2477002 3303737 3373906 2976031 2542523 3074592 3256089 3660460 4086387 2637241 2023142 3863532 1764049 3396645 3647473 2704596 2907835 2743312 3213633 3438094 2856063 3844586 2446576 2730850 4930145 1602035 3726438 4102366 2346854 3518234 3839657 3309642 2590825 3117960 1646996 3247194 3256314 2365185 2601511 2505168 2892826 1971962 2956888 N-acetyltyrosine 132607 180700 107861 220580 111228 216542 66896 109719 86872 156272 52030 87051 111452 120908 92588 93900 117896 114169 240496 93950 102231 183934 149115 127699 121510 115530 118237 129703 71297 141137 84285 154439 103034 123436 57832 121771 108981 120140 113268 112284 41028 109471 63534 130718 103335 174643 243035 112640 116956 179232 199524 93704 134565 142247 244060 169459 120298 103551 165244 74534 102800 147352 116257 182213 151503 83551 108350 61274 126350 70376 93759 134570 270476 255277 159840 133584 137538 84306 120626 54428 104994 46804 163376 68182 232652 71843 150002 226878 96454 1923206 67785 115275 192159 162564 165876 119017 80809 151139 110008 70311 151495 98999 216546 109325 49775 96334 96321 188027 318866 191950 96260 105037 144810 157611 55716 76232 85421 57438 150555 132991 95419 106832 262997 46424 142215 139949 151305 128443 150198 163113 109838 N-acetylvaline 392948 305319 382504 328460 455995 307480 323726 601909 250341 297749 357193 369845 390559 437077 637724 291588 383949 297643 438944 365787 391400 381668 278280 550744 386201 440281 465878 367384 342230 316779 351999 352384 301519 298003 321773 360717 418225 363319 370897 315020 310142 293948 349149 295822 280279 222828 347998 286196 301012 381951 485421 282055 360115 330533 379877 376175 320837 310416 320299 375782 313773 337333 351829 344161 363085 260137 397404 292544 387879 340275 312638 273308 350249 303153 313084 359092 388933 342084 382833 354409 322482 298912 307713 812330 420718 430937 456048 353569 456227 340804 312557 224007 380970 347202 469466 280692 442265 345390 340209 346392 382836 356692 360918 469184 275428 397381 395345 377458 552616 409845 412424 367570 971632 464238 381160 416729 417469 936662 384708 416231 480701 315727 311723 551467 445079 398348 594985 426459 222170 476342 323339 381425 709040 548635 347888 340262 434806 472044 408017 493927 486954 370297 680251 422537 336614 312818 540197 388455 433693 479735 619241 328064 582844 259916 370548 495060 334034 401317 472361 449215 382727 546180 591510 538796 507164 505282 332034 418315 282864 387258 662445 321876 282610 462732 402104 401218 629065 402362 324435 334123 412615 285671 457954 959927 382558 367426 342967 443012 590934 462721 485149 381656 485200 310086 394586 453242 439282 298310 274965 N-delta-acetylornithine 696913 528195 275365 773083 1337853 831704 900362 1582654 367061 418883 1119240 593434 732977 4975541 2989454 487901 550484 463870 385252 1001315 248291 175920 257707 217173 288675 263586 1091393 1029966 2029820 574513 5116103 2559022 534865 259231 279578 496728 923603 146434 994661 360262 694551 168809 163964 300677 365168 262498 271960 454820 849334 477380 1489030 650488 233592 423681 395718 588251 500544 175892 217552 372048 1467006 970396 246116 419163 1114495 67902 726699 564367 858042 240286 578129 651193 691618 243587 190421 462050 596652 1372978 2425588 173602 574647 246597 255729 571821 268781 152814 443811 198776 162742 1209666 458587 65741 168142 538493 606702 1369421 458738 285098 800743 257610 363584 450166 951451 710594 1265280 630669 382156 289619 615721 1228786 617996 866210 1115902 448440 799270 525423 277433 450162 635326 714120 120221 496325 855538 285079 345245 468582 1437800 816844 807818 359785 9772428 942996 2952672 143254 729195 381521 254902 275422 427423 209068 388274 652663 303605 546680 232340 356696 333116 470056 441210 237705 587672 464126 88808 716862 2021958 910913 481376 330320 253485 1606045 2426088 1584108 151831 448645 229834 255670 455247 519781 1405609 661834 1406620 1135616 4356589 178671 719127 588349 138118 1369363 612392 538892 727742 251251 665938 1362964 524000 138901 796541 209295 290833 752009 437090 783628 1669249 757608 386357 312026 1020875 327986 820745 N-formylanthranilic acid 145724 384746 123784 214948 291841 177972 84623 211129 68340 115190 442476 168314 241184 180535 798044 110425 147990 176511 228285 180789 200493 108534 188538 281810 182524 93960 118684 206236 137517 175258 766028 125885 102379 193407 180736 164502 259256 198020 96836 432300 181340 169588 155888 102526 127850 156841 153238 149528 208904 137980 124384 83641 341964 87008 111458 170855 161495 164594 162883 184944 138322 160219 142920 216821 216651 261654 276061 99604 255852 115636 128869 84141 167451 436393 136495 66811 151600 619883 215395 168623 149202 291241 287227 392659 327389 130475 135888 88497 473388 112700 132338 265258 127622 198031 229784 26863 918796 272527 266165 151586 1356338 227452 397153 944510 397095 1228581 190959 352590 1067619 300792 562895 285508 7124784 906303 435672 502250 262412 513505 650464 784519 384949 970751 768907 1166902 1163751 197350 248745 180150 244452 8327591 1266320 260216 152771 275270 1024157 1195731 1005758 394237 618889 1584973 122914 525165 309179 156024 338707 132445 774404 510245 211675 725059 150687 291571 262427 722697 152009 302067 597349 294259 315964 800947 1203751 1086068 1279937 431127 558660 251982 798847 1175477 186380 196651 960249 475842 667484 531399 530444 171508 262636 4433824 221017 578819 183917 374318 474954 276538 187692 1186828 92556 549869 140930 250819 162805 641508 1410175 411159 290952 178376 N-formylmethionine 1835536 1972024 2151306 2025020 3174982 1839644 1902335 2366336 1658940 2037222 2587591 1906810 2293797 2656640 3388778 1838987 2248653 1821966 2064980 1920835 2088096 2271154 1720482 3589337 2410995 2703645 3194279 2090492 2700269 2193525 2970389 2337630 2404736 1526770 2150778 2311637 1877292 1940201 2073559 1860264 2448180 1596761 1904523 2260418 1932681 1810462 2273131 1809052 1793069 1872238 2512910 2012546 1887141 2260876 2661613 2483921 2116704 2197054 2500164 2503775 2186679 1859115 1959418 2011421 2527385 1531656 2122737 1932774 2413774 2204104 2074242 1964252 1810424 2141220 1915988 2476042 2377324 2254419 2107508 1938926 2161302 1651504 2292864 5236567 3005185 2685313 3615381 2398506 2796904 1819212 2117920 1747569 2816362 1571775 2281597 1773376 1994657 1604448 1630056 2222468 2535054 2228284 1828083 2589993 1489018 2053573 1836807 2146882 2453965 2408883 2128185 1535252 3844234 2100340 1773494 2112085 2096909 2647890 1263922 2274475 1789871 1715985 1404761 3064179 1942103 2729236 2211699 1696185 2243843 2091572 2555780 1962397 3459948 2629554 2039505 2248194 2144618 2542235 1712308 2207586 2512310 2183369 2638942 2780556 1817546 2228265 2519328 2440689 2135743 2256813 2208181 1840734 1575689 1724753 1767122 3142251 2312944 1810404 2428502 2158721 2560128 2220064 1702003 2126185 2427036 2011271 1641677 2304190 1939300 1781602 2141709 1699098 1384856 1990711 2445677 2207319 2259382 1855117 1394713 729509 2024264 1468214 1954402 3809849 2949177 1841464 2188200 2417833 2713722 2591459 2210008 2860316 1583544 2075576 1934755 2468215 2940017 1724794 1112930 N-formylphenylalanine 367790 265147 241041 333619 326007 251146 189334 429609 188705 236041 173435 217730 267176 532424 138857 284244 349076 271717 223405 403853 222052 185617 156770 141379 265688 219389 278245 291493 242049 229631 358395 218952 220032 282868 123031 316886 288234 226029 304036 171571 132498 198358 222224 223432 223472 96691 215653 221153 202155 184956 216549 196839 298727 229604 249262 249788 168240 191516 135586 170828 173520 216121 194884 199972 316187 248950 177498 179936 209889 239551 145847 116478 179582 144174 192490 297138 202685 101150 310351 137666 190197 218074 291022 199496 202257 81986 133742 186433 251555 282409 284987 120934 229608 228395 342816 294183 387956 146722 244395 245053 194519 172551 176674 180925 220405 179603 263195 366548 560035 562403 257613 227219 422951 259260 417042 162718 306776 599099 255766 235388 274741 328289 220865 225342 928952 327373 243053 508107 240377 277401 208927 220818 397609 81116 153248 338012 209155 263074 137786 284004 216406 123609 336476 285498 200224 263245 137550 479667 220809 355836 265554 903753 437533 333325 717089 707498 161328 810694 169294 219864 308963 497267 439447 418028 333920 490382 286052 125537 186468 259961 652999 433577 423976 767304 271400 541533 1220049 700584 306060 624040 323222 180212 339369 667863 223627 257058 254581 359298 246395 263222 547552 198149 2250592 611124 414219 215885 188793 317770 385139 N-linoleoylserine 302030 322093 160197 809984 319515 155691 203054 426512 438605 118874 320400 422398 402106 214533 315390 175622 568377 509231 132874 600439 285650 598118 234743 274237 358612 602484 590963 151587 332027 616782 383674 326574 176325 295223 323024 529859 559623 203598 340550 263497 216601 231696 459389 350025 246287 216909 128603 338277 206732 251762 346131 184301 354434 352206 146442 236819 309718 322889 215045 134946 658809 247762 755872 133151 342678 406411 363721 260555 247982 711199 420897 439573 187645 288584 273835 484197 498903 336807 259466 259022 206511 244328 193644 166426 147800 168832 107185 320126 202407 291870 107750 136761 341382 197674 161435 151231 200288 779321 251015 360120 356645 219579 222812 238139 61694 361466 199683 372907 429514 275473 195596 117982 577066 258682 266458 193177 226903 212312 242162 175730 202678 353901 90531 74875 1010791 249762 271314 145856 156079 458221 150713 217209 165408 105775 108510 99992 234076 100187 111513 172570 261611 128924 188942 191975 338515 191172 246924 103730 96645 192355 59673 164503 132006 329758 345850 416932 278365 101430 805709 316975 381555 93596 N-linoleoyltaurine 54239 200680 203246 167318 226361 207626 470388 89407 290759 258581 119105 386305 580034 1200190 189005 330361 165006 219433 285761 97461 189400 145367 451314 207164 155245 164592 432557 154894 156861 272046 129350 608475 149009 196307 257172 144292 246534 390147 242876 312521 250037 327835 100975 101269 265117 919865 242010 254043 394745 245233 48896 641975 136860 214778 246994 213607 257046 196079 1195980 218653 279943 195091 215026 203700 183206 174992 526986 192124 166265 112613 434044 1176959 65769 77675 239663 382394 441147 274361 67772 228011 221006 75553 190668 399345 210820 221026 149055 344321 183589 197124 74359 243206 312127 203427 361046 163478 271999 70747 83816 186379 104123 327708 166225 48496 269868 116848 95691 74415 537953 368002 185131 164176 94659 106175 40753 98675 263893 78822 201318 150119 161372 N-oleoylserine 312311 85754 111586 349765 236289 184589 219588 218540 80456 257094 261781 338113 248953 443034 285353 50656 308843 131556 449866 435892 208338 368522 288681 180169 320443 245972 190133 423035 337684 222888 135223 248319 577736 326335 270235 755441 429005 365055 456469 353860 260319 254672 304696 201510 282467 303726 212306 180212 205448 228715 71249 323386 167519 253787 214897 246296 153558 612989 140335 212521 515562 239763 462487 426961 409902 183914 181122 204173 776846 257816 396477 339623 184427 295474 357115 304038 548846 147770 200669 338670 125247 45811 207899 199729 221298 323652 260698 132184 290859 188001 142400 130575 386491 321915 367004 334804 374238 95621 252537 170774 298802 199559 114338 295178 104815 316308 207175 334501 471996 237206 146110 195703 98668 192992 369472 140060 126774 290157 691953 292934 272586 215567 170014 143396 191585 169814 300754 105004 161787 459513 228759 176240 228202 229619 227341 103788 296017 218608 230331 247904 165576 76984 215422 78003 148866 268564 269523 261566 241251 158733 496491 194211 273924 N-palmitoylglycine 357839 431582 270042 376115 242724 534997 508375 377395 515342 404743 475431 483990 761342 645175 296226 305349 339629 604192 633442 390903 605642 498012 357197 422172 358934 319295 473179 505592 478453 252560 387189 423404 457845 584402 394708 498874 352446 466894 520786 692807 620522 302481 288550 287428 307895 405207 309371 493138 362793 390522 481629 372455 703636 248107 565356 1048630 360087 808916 223876 445571 269911 453056 337680 284352 342517 426269 361666 444716 413739 465749 436568 336279 468924 1014438 313364 476035 371489 282654 381952 387470 340114 352855 385167 395970 389951 364984 299624 345893 315560 466432 567447 353709 239715 417889 444203 371817 169194 281780 261245 432412 280398 321793 391975 192548 347460 475499 672951 268116 402870 409542 365178 285221 247158 213121 284290 361506 268876 253855 280485 227200 572701 368241 110485 370980 197946 564758 513962 396776 242302 220550 421418 141365 467711 407818 279677 229149 492992 347800 342314 457917 278906 367366 249895 375395 332920 280804 362815 484096 282817 396540 267272 340162 222150 335528 217284 361506 459239 263010 286825 305385 276113 412902 435215 346043 361319 205007 234639 271293 350925 222107 353600 319212 233095 266283 157647 265127 273617 484006 383234 328854 261901 162336 239732 N-palmitoylserine 700238 461847 1041739 550810 565270 310641 819431 859745 745893 618497 961417 349971 1358034 1069986 847275 664751 1190704 797131 693460 548773 1117283 671471 769167 603876 336446 719032 1128294 623027 778437 706763 280739 307539 769917 440588 807850 372959 768101 692918 441852 1030160 1085550 630647 918180 464156 578390 537753 1957976 300708 868662 499292 586852 1013014 1023043 795297 457107 706069 708976 563423 583897 926458 699730 472016 581198 385439 1270819 672409 168031 366197 1231811 420601 103786 544261 503321 745895 401402 497204 486899 377370 1368228 831148 577366 717047 451002 744381 232733 458231 289727 496635 461549 595364 335735 480087 837094 414796 515243 482380 186375 226736 589050 952130 926959 572118 316310 1096410 620571 437339 N-stearoylserine 197459 385830 188441 288680 330533 105100 232298 374598 110329 596689 275977 175510 255456 371409 131948 146682 204083 113648 613943 421370 201095 456340 495823 422659 249607 347572 354231 348428 314590 293036 106113 259069 386880 319803 300108 263885 304407 497784 299791 243023 747758 316571 223637 232482 556971 236118 170527 234899 305543 164631 275913 115366 260949 332458 151901 302449 355040 208595 266206 201016 302729 274759 131239 316156 647266 213558 308808 121283 389483 110396 367049 341983 351151 149467 299227 257660 265675 404745 341796 321125 272168 253660 482140 444051 254839 304806 357763 319888 210140 270963 314261 142097 277022 328138 53362 162456 363182 240641 345917 99286 107102 226660 252425 96703 90304 132890 79218 183366 324047 132403 458000 315927 116598 89778 212715 126789 154895 145932 187744 82294 155085 143122 280998 209061 123739 129623 224697 98255 292857 303552 232298 182396 109253 150631 154863 108844 121548 221140 261534 321801 83022 44101 139525 238206 145838 240990 72807 81454 307897 74941 81365 150246 102352 144388 116062 138720 74779 292390 307873 305357 205935 120204 221290 225298 128437 214091 73110 214784 110311 72835 274479 197115 59018 56154 187311 258459 257249 136736 231229 165076 91707 369994 321734 381537 85256 N-stearoyltaurine 191562 388202 120461 168021 325854 134206 117117 407266 78441 548479 136960 86055 68709 533369 409731 183147 495097 148905 371143 252771 180089 310235 67962 184435 188322 276148 139489 200811 50391 220367 254349 197445 171752 181199 66029 516284 99290 449210 146221 229174 168975 472431 144380 159997 176934 70703 166261 195751 246737 132416 57633 165816 94076 334129 262291 199683 285123 260322 338131 83071 166570 112661 262610 183913 143164 204203 339337 72131 92154 212446 71666 316297 155242 97135 140372 324008 248482 153482 78935 235301 290684 111923 138098 103374 122428 112602 361131 185708 289105 166303 250237 228272 239951 154156 149111 447513 52351 51889 271336 57165 232597 66586 190806 105204 193057 127611 234264 165827 125255 154614 94698 55941 161061 105780 108096 53611 60377 154268 131288 84709 230454 68983 118479 49248 81445 60446 73856 210408 181571 144613 91769 113318 145398 132439 219698 98109 143899 49912 218372 258092 58309 220983 258502 128924 176067 171953 56255 57650 108158 101040 376946 55332 199942 66819 N2,N5-diacetylornithine 24166 30672 40038 150076 109022 137129 48778 56007 62862 37703 150448 413667 34161 35526 21484 45022 28846 74225 21806 44106 44780 32356 32761 162637 86056 427457 77934 25397 43375 19193 49782 123964 44830 92704 66046 64021 68825 48240 51712 35203 67291 84197 57095 60782 39909 44719 62351 49760 24696 38392 29551 57414 29262 22924 88742 82128 59207 52538 41831 22077 46966 33589 27079 84112 102488 160009 39711 68482 48919 45470 26216 88798 34497 44792 112661 29134 60516 27441 134129 22197 28056 38946 41198 107394 174811 21628 55303 55337 28381 51031 38729 50412 59211 82281 28684 36522 51842 102093 72939 67336 99093 39579 69671 95957 49734 133520 1335089 142933 88379 36541 73681 31047 114039 82285 105072 74991 54066 34063 27875 36894 32639 39288 26892 44117 125860 78657 22373 55732 174384 140577 29479 30643 37280 42948 125707 47197 163127 72311 234410 18757 87345 30409 112974 51396 26088 93001 124956 29814 50220 114050 44944 32295 135441 53960 63648 50119 272140 29625 32591 142283 35308 56352 N4-acetyl-5-hydroxysulfamethoxazole 16658 72402 9557616 3323061 10996260 5372672 13437687 2097650 23931 2542246 11199705 395740 4548473 N4-acetylcytidine 80318 30644 109411 161398 40036 63535 38063 62427 47614 29905 44689 140660 29553 70374 234826 37414 44012 145733 71764 63812 134147 28740 39439 54501 66188 31545 26087 44334 47059 51444 125711 55092 35276 32044 64858 33905 75872 33201 63956 101280 37533 31926 27581 60657 27357 39512 143983 108095 22391 50218 50050 61764 71714 31739 60098 116970 64740 26824 62948 49048 34135 77260 34879 57096 252821 31192 75456 126709 78295 89792 87295 137746 274760 185762 28068 160701 22036 126511 57235 45254 33058 63586 59087 122238 103447 56957 34639 37288 37439 82891 80341 34530 82081 38569 64478 56471 46295 74466 41618 30491 77198 25590 26571 193529 96467 151078 52008 141025 86867 45514 45747 117773 N4-acetylsulfamethoxazole 75812 91916 7529 1441 88568 228927 254034800 3129825 8770933 855237 1609196 422708256 579271296 169118176 1416556 3211526 14689438 1917 10623094 188842784 34237 N6-acetyllysine 527977 398706 362926 533085 679466 392019 307508 459955 217948 342035 439498 373444 507071 515056 612662 280160 519145 320327 465358 521021 447565 355377 296271 479981 608162 580782 621822 382712 378384 324502 455644 537971 464437 375523 454459 479477 537508 395947 328052 319353 432090 425830 375418 358170 303476 359731 456169 487001 420231 520283 672679 412570 446854 377966 637658 415785 362461 343253 389610 433183 377342 354056 312040 352072 510770 269681 468242 401361 468108 404869 387441 396260 314873 253235 343522 364954 375548 457504 510606 373106 443395 344115 371756 447497 367817 355100 489592 369535 392690 563165 371083 266583 307474 504273 464446 363703 458832 366471 425082 508188 456186 477516 548728 723488 520169 414520 636779 522601 825724 616280 535788 544930 1387758 546175 441130 610754 766060 864226 530235 611083 655817 465090 479644 669526 574424 618168 808492 605776 333820 531170 361461 535471 858422 670613 437762 469541 454870 460552 482872 605778 590048 598729 823230 415697 359192 615796 544883 644670 639942 516488 789753 342141 693535 381599 573691 603456 517585 538470 553959 490605 753895 785984 508342 1011569 691835 890326 401182 575965 410874 573177 811377 467863 705896 467997 491344 633034 599381 503564 467502 630396 974132 309618 628860 484328 352215 265636 481841 399856 478183 474728 401185 477807 486767 436113 468823 511280 581377 312837 400649 N6-carbamoylthreonyladenosine 79394 83415 86437 105610 156740 77212 93709 85271 67273 79953 109980 101955 80522 99575 143833 74475 83382 59081 82580 73436 91713 82385 75157 124369 118411 116877 118740 78319 114586 83366 103313 119396 107927 85477 90089 108478 88189 92609 114909 65289 86123 80317 100881 109587 67455 66580 95952 97634 102925 96037 140192 88818 77062 87050 73026 100775 83032 73180 101464 103930 78706 78194 86944 59502 75793 55672 97940 108245 109826 112871 66009 76914 74832 93575 59911 75813 140674 102932 105595 99193 85427 86896 99568 98753 87793 108730 75985 97614 102225 72332 73677 62127 81515 113408 128259 90726 75869 82125 89443 109734 103430 98263 112192 131311 100920 141868 139211 122099 125048 122283 86955 73926 208845 86365 59012 110431 96445 126901 112346 109316 125090 82848 85865 119286 95506 125490 118503 101588 82569 147180 95077 132814 197038 109821 96846 97019 118704 80588 126943 110755 105959 91684 162688 138281 90997 81346 138749 106440 106347 101211 146134 71278 106998 91574 94471 115018 87158 114044 114946 102356 92050 78052 119067 103563 101272 90180 89239 117029 92210 102791 137095 65280 94984 87790 102219 115860 152217 119350 110589 92867 150161 78554 114863 63823 91363 86733 110434 73073 85134 113696 97345 122126 84382 92812 105210 130191 159842 106750 74062 N6-succinyladenosine 33720 35451 39002 97329 64698 63323 32303 31351 48946 33590 30783 40189 49512 21262 71340 42493 37995 87157 91945 48260 51746 80500 49772 73197 61569 81739 45872 56378 70120 39043 77370 40699 42333 49753 64769 57035 46388 44562 65363 48413 64307 24745 46927 54774 15852 38286 52033 56698 32162 38502 45795 60748 49136 44462 70428 107932 43750 69215 99509 82285 77214 23698 127251 43916 38528 39501 47083 35082 44312 50830 58982 52080 39361 54440 56315 57752 46499 49284 56100 40707 52584 50517 49525 46740 44927 65863 46347 54280 32676 32799 57425 75003 109706 111059 37428 34198 58873 34958 60896 30367 52765 76719 nonadecanoate (19:0) 6990162 10397671 5382852 17848272 4422955 8838548 6506376 7807018 6162423 15342988 16804390 9609178 5796959 10740553 21612042 2724178 10449101 3856794 10215807 10512890 12780632 14044912 9962080 18952822 5579402 6981819 7521606 10836703 7845383 9894722 5330584 17607256 10659043 10643191 9105205 11639789 7492899 14703209 8443436 14269564 17634570 10856929 8066224 10785607 8493116 13230749 7005079 12899825 5205177 11262395 7920088 4164920 7570481 10077431 5003771 5225244 9490549 17051048 11032938 13633889 11558584 6555546 7903261 5645822 29356368 4507662 4928257 7848814 19817056 6962252 13406277 10033578 18159602 11254633 3678544 3930759 14741018 13420335 7453198 15860878 12580610 13139993 11095942 12234049 12981665 23335752 16191163 10936098 10223001 6849953 7897249 7947767 18795732 6145277 19961136 4173041 7668576 13251886 12801225 22052454 25990992 19283972 11830826 14047986 8221906 8826784 21010680 10315174 19549090 4364205 7570482 6409343 15077391 4716540 8778690 9113975 21226920 16107694 7255412 15142702 14188465 19579792 11314976 9274734 5216402 6558408 10185745 19406378 3882025 19918676 8565316 11890898 18686098 23914046 5373355 9783525 9113707 9451966 19883310 16229066 12245965 6169560 14739172 7997970 11542298 11809727 6854535 7874836 22358956 13869263 8247816 4766842 13226385 8199081 4592779 6836589 8256308 10594554 9675629 7217654 5395407 9114341 9419008 14370781 10167220 12621188 6678881 9352180 9504793 13427043 18708750 9431770 5313490 11531435 8433027 10148928 19840100 5758029 12027793 4878124 11389584 13495956 12775515 11202609 5993902 10705993 13639540 6520392 7334661 9003741 22429492 18631650 7159671 7051901 6131987 20317032 6430365 8601147 7158594 o-cresol sulfate 1809404 1494251 1045428 2038307 2916591 1073214 1307299 1251499 1264226 766909 1026525 1081501 2144977 1655454 1236246 1095277 711821 2173004 1584694 1847362 1105601 1101366 1215957 1260392 714021 672952 1348739 1515246 1141802 963160 1423126 1984022 1668100 1069716 715498 1620374 3249434 791446 1296896 519935 1076214 965948 780102 1173777 1091424 1020085 1156109 1105508 1464990 1576041 3395539 2140181 588942 1168549 1101966 1696537 844765 1479676 1027695 1113723 1257685 2038209 1030960 1392392 1987723 651932 1063471 1749824 1481376 1464506 1097638 2032231 906674 979968 1123301 1189292 1670353 1130614 1641947 887048 140944 160263 184058 740205 139664 259325 160865 69418 165559 1972980 1249114 783069 1068640 947096 1165899 757515 1317778 1363871 1342603 772402 129198 2245238 469771 434414 406990 336978 202667 1217841 157959 476083 1006457 325729 300018 601881 973250 118518 185102 265864 661401 75678 210941 56427 383760 178990 222595 298836 94335 113943 946746 301905 243328 636179 1495350 62952 266001 765900 563493 324361 149154 103409 373763 655299 102327 845675 129347 190839 426116 2509516 138923 132903 279594 459597 125315 444443 772859 892571 236946 749580 148080 295496 1455540 2232860 1691018 744673 406393 836388 209286 503515 257972 126697 155579 1658159 545617 227514 265909 144429 1065965 171781 167760 1637707 194886 135386 288779 639140 235129 194375 961874 189335 388728 3145708 191586 111247 2215917 2012866 883032 187463 375711 282489 3857066 O-sulfo-L-tyrosine 1044820 894268 896469 1241831 1594997 959765 892592 1178677 688829 862616 1339241 1195943 914779 1044345 1727978 801980 1084463 828087 1158092 839993 896513 935252 725904 1361936 1032644 1193996 1144444 824684 1243270 857314 1053527 1346903 1163553 1213166 1094347 1028034 872267 1186337 1223908 719362 1119469 724021 995920 1267442 947441 901701 1150891 1135316 875025 1206639 1229177 824497 994370 1025191 1100396 1078698 686685 958883 1077873 1144271 823857 943988 1346093 717125 947890 514218 779979 1088956 760711 749657 1448096 912541 885483 1124820 777211 946711 1463137 1071511 998403 969769 926066 1115075 808176 1074484 870108 1243395 966681 884977 1029870 1164297 956810 740433 944615 1488410 1098208 1174972 801723 689660 900290 1415579 1197588 957776 1055428 1211556 802341 636018 819433 744041 788022 1208088 1000889 739432 1415609 676167 1213144 963882 942412 1116763 1060718 1349669 846213 947548 983813 979646 921485 1139172 925927 794551 818644 1012381 920287 868094 1123673 931869 871286 921437 1120118 1338729 947625 966660 724724 976169 1257456 1208839 826450 893674 902780 1285778 938570 1135376 907282 648903 747242 710852 956895 919274 746728 838389 932276 1046804 972313 1015898 1069154 992778 955751 743253 766044 957777 1118632 795189 1069989 805388 707218 1112710 980344 878001 851306 1105729 959424 834000 1334370 926475 994707 694031 698011 797389 678637 1070929 873352 1030121 625634 1120221 1143953 976924 831691 720992 1243627 1048755 856654 octadecadienedioate (C18:2-DC) 3807314 2884947 1115996 3839775 2195850 6380425 2361624 6588360 2954773 1264932 2054296 1051934 2808106 944619 6496109 868378 907240 4816073 3572971 3287187 3415684 785553 531212 3501204 1254718 884570 3883556 709386 5442579 1787345 3969312 2362011 749330 2805471 2068586 4856017 2386522 1763342 539234 792038 695405 352146 598144 1138578 3018437 979475 6932671 931054 8385204 1136074 3820642 3132213 937453 919557 4501866 2495623 869380 8864440 3229756 1961038 481290 670471 741672 373548 1143661 234979 1159934 1217009 1679798 2326070 2903627 1318322 1074502 1048881 404105 733268 2961547 1771316 3972870 948022 2528394 3296257 1508461 7077896 3023951 8072264 3727173 1232643 2813381 1649563 3840898 3402226 3144009 2917516 8317911 1033942 570670 2096235 1609762 2083516 29110944 7979381 4283411 3268884 2971975 5214234 2585330 2246848 6626903 843966 3725700 1167599 8066466 2241085 4807539 1235771 10697209 4964015 2714537 6937567 4992033 1406849 1337760 1801891 1845576 2922554 1953367 4852969 4429216 8421044 2522555 4557309 3456348 7564530 1410376 24101410 2543627 1825288 3840275 3598160 3780901 1384948 4004510 1665054 2324225 3444621 6475557 5213200 5759818 2369600 2285271 2058989 5376705 2334594 2349669 4514569 2410611 1824383 13257560 1329332 1164857 4010165 2246711 1724760 6286443 5401721 1888183 2220253 1543640 10343652 4666672 971960 2399396 1041679 2224947 2497659 5692617 3546285 3640804 1024512 4221760 1924463 1992038 2733237 1548690 1208939 5836881 1966571 2766734 942852 1198214 8141332 2622696 6017574 780077 3831503 1781269 2397737 2835542 octadecanedioate (C18-DC) 1477706 2125008 930052 1560735 2053152 8829583 2188923 3713225 1826457 2406026 2864703 1286715 603187 2499934 9612646 1711316 404033 2850983 1795238 1146466 3790723 927310 740478 3357082 1174854 1179805 824751 749047 919444 2766265 1027376 1308572 4342693 1109012 1667800 1450112 2260664 2115160 1826462 923114 1381173 2001501 1395598 2382618 1617732 7873497 1804643 603751 2119421 998233 971378 1199270 1189022 2102053 1052924 1304306 8703292 2955884 2325122 1287771 722395 712769 1392421 1039029 1013812 1677537 2126977 2753174 4029202 1635160 2074402 2093340 664174 773376 3194337 2327620 1737017 1975644 2918340 3502559 2145278 1702213 3193377 6205983 4948516 2744005 3159954 2472561 1809118 6065462 2350765 2133528 2091774 1559773 1201168 2847822 1457608 4635250 16995584 10107290 2135864 1699869 2485165 3308499 3029210 3505788 8932705 917409 913292 873316 12753954 2598367 855204 1278337 8188647 6799424 1384529 5225147 7587921 1678716 1641691 1934159 1201505 2133975 2676501 4447539 3806455 6834961 3094532 4413170 3936687 6058715 1621139 3048642 2949170 1435094 11128354 4176376 2855678 1404449 4031040 3396217 1965404 2291760 3684689 2207792 2593177 3332637 3090775 1145817 7164376 1541258 1293836 4754371 1595762 2156300 15487438 2306591 1104461 3806563 3166706 1572508 4730180 3715813 1177532 3789106 2602608 10090310 6598678 927226 2511960 1513916 1757858 2517811 5321605 2141004 2816285 1106572 3558091 5462719 2861818 1751734 1403078 2808003 6307878 2785437 2131171 1122816 2296477 8979625 1710979 1221550 915157 5160729 1130675 1304819 1557530 octadecenedioate (C18:1-DC) 8138402 5611063 4976145 7849412 8692409 34288564 5172015 11362360 4619870 6425357 9036702 2186517 4452830 5046898 40757036 3466890 3760808 11540151 6558612 11794404 20684968 2440395 2940221 5486138 6360681 4080502 5041992 4150622 8832493 5539565 6142618 7073155 4305706 4938163 3915914 10270456 5474215 7474098 4738261 4309107 2729141 2086646 3080617 5602191 4091736 4552910 13530877 4964836 3991664 6238495 4117587 4439250 2981683 2787191 8187764 5448460 3103069 31375438 7463973 6329677 3493210 3841715 4364831 1498593 4960062 1762532 4425542 7998743 5445554 8888373 11355897 4431168 6818758 6475835 2063905 3639976 9575639 4749558 5365136 4312819 8104913 12351394 5514312 10559662 6190424 19324100 16091008 6647132 12479641 3688786 5884208 16832692 10655042 4766163 7937322 3494092 3076760 6326129 4387818 7449327 78303568 48643004 6537834 7740428 11533319 12225773 5888819 15217016 26800556 3592703 11930131 3820289 56701708 9185181 6583998 4314561 28479600 14552564 7316293 18923816 28545178 4996144 6284375 4257249 3282422 9570769 6925881 21624290 21171530 22849264 5441142 13008506 14877812 27378154 5311636 10784769 8168078 5166023 24501548 12644693 11759971 4092252 17304196 9112198 5800980 7821550 18725926 7486682 7890839 10942973 7634764 4169336 17881012 6061349 5305386 13161926 5276043 7437058 69904696 6333280 6288018 14997050 9114158 5061344 19811246 28198022 4482499 12845326 6487734 39442292 28785656 6567912 11730284 4253673 4261031 5744464 21053306 6248266 6095515 2311570 12618049 11667191 6193639 5109692 2951176 4408673 20109656 7729028 10821832 4423938 5301945 30410910 6142608 8811461 4508838 19168160 7725502 9472311 7196209 oleate/vaccenate (18:1) 2685530368 3362492928 1111961344 4914504704 1584440576 3045873920 2388675584 2458518016 2394427392 7136664064 7666276864 3607796480 1367060736 5600198144 14171696128 476137888 1873045504 1521498624 3014499072 3004545024 7321146880 3568030976 5794883072 5754453504 2028883456 2475584512 1876986240 4647644672 2368706816 4065767936 1507315968 4645749760 6095059968 2719353856 3785898496 4919150592 1821624320 7303228928 3543549440 5424667136 9552787456 4194336256 5799490560 2495515904 4702498304 6333501952 3619286016 4460673024 957559424 4750841344 2198560768 662557696 1548156032 4393188352 1159708672 1388457472 3719704320 8591125504 5865277952 7577748992 2871490304 2770237184 1891120384 839991680 6416845312 3685478144 838889280 8131986944 10575210496 2011617280 6586516480 4960105472 7562674176 9327783936 743134592 783973056 7748046848 5437381120 1929905664 7611904512 5492994560 6725051904 6121341952 4033375744 5743170048 9162235904 7802540032 5673705472 3446325760 761497024 2768142848 7618909696 8600121344 1260964480 6237281792 1089992064 2475466496 5718024704 5346555904 6547410432 8176969728 5626686976 2763666688 5027342336 3666213632 2555802624 9054812160 6710682624 6208994816 1052664448 2495551744 1830180736 14272326656 1443888000 2676889088 6100223488 9199002624 7396339200 3038179328 6300972032 7835051008 12533004288 5065444864 4436831744 889031808 2246136064 8372534272 4952631808 1073126784 9681703936 4731637248 7473773568 8952914944 9304455168 3324358656 5006183424 4898097664 4930725888 4034712320 6912662528 5423384064 2152843264 5820542464 4940407296 6423764480 5782421504 1578003712 1281985536 8938116096 6417515520 1838955136 451368608 5308842496 4194608128 1312257024 1415031040 2251587328 5952068608 6444914176 5524881920 1029665792 3499940352 2254289664 5247651328 8737050624 2337586176 1472021248 6639162368 7999196160 6526881280 6174590464 2645745152 2355816192 4647182848 2192516352 4536992768 7586565120 1275070080 4782624256 1466706944 6035377664 4956254720 7838477824 4100423168 1021524800 7450963968 8645456896 4431900672 4831101952 1725607936 12563880960 7589509120 3525818368 1047466560 1336871680 8093458432 1649758080 5964839936 1648310784 oleoyl ethanolamide 455392 340870 470672 237276 270149 497873 365861 158323 1298380 834068 555588 429412 822093 1458718 222305 342080 348078 331555 439995 867321 629243 984237 583468 311018 383659 269443 790088 398741 610603 247746 208673 1490066 451351 763857 554100 220630 1002769 411161 427281 1632920 526958 831729 319878 633456 957953 385308 596842 132447 340767 290397 259212 318127 487273 232231 513551 467318 1208951 832038 665433 629777 387960 575782 196659 1132540 543023 249542 894172 1323843 275838 908062 486366 827873 976272 197362 293237 2258472 558392 362159 727047 790652 669631 805020 498015 823816 636946 701301 750678 514382 268427 327253 652557 794342 155130 677288 205747 467594 662856 537183 898228 705502 733133 170150 567545 610061 555736 1171214 1406930 829230 395042 454238 330825 3397707 582916 258004 692822 721785 810875 507704 932828 455733 647738 529819 946270 177229 626923 1580121 236012 765612 633841 893641 3444802 1439143 608624 746528 626432 727853 691574 917669 647461 460520 1415087 444427 764732 906734 1043557 225661 1390355 465869 418269 121605 1008508 398968 248744 279487 337915 530314 1308469 484073 246597 607877 744703 429903 1379171 925200 297253 755280 1169750 343768 627434 237135 343188 459015 285740 674724 2787655 182639 314555 159602 644815 558540 692424 709668 252805 527562 504713 661539 659103 118476 1579078 996045 137928 255507 298764 891018 252940 761844 218769 oxalate (ethanedioate) 68124128 27118358 59526736 46261084 38150064 46646452 55044120 76400432 54106312 55385888 68096784 58815444 68265840 75186560 62819972 43604324 58968348 57519796 67779024 56325164 66189232 81425448 60246236 54218904 59010508 62768588 65099776 78179640 86617328 83379976 86483568 41802736 54579172 56401680 61540512 83676360 61341572 95594664 52193868 50050448 64878880 75809960 60819356 55472596 72673096 61414640 52527320 43391308 57468032 56757160 36297144 46661992 67080880 54034044 27527436 55256064 55532504 54153144 58981812 45925128 91725360 61899660 57744292 62359824 98524528 46171940 68202240 40275380 57993392 33197564 70191128 57855128 74198904 58374816 64736168 59984504 68273376 40398872 67946968 44734532 73020168 61588564 2459056 71433488 63006764 72205096 55640248 55929124 85644144 67666968 58399604 81548360 64102064 53654424 88432528 30964030 65199736 68263184 87020744 47080364 11548482 47272572 1944398 10528215 35895608 54220608 2312207 26916680 6413154 43990676 60645712 2921176 44711940 16753506 4664643 8077421 3368753 29494862 45170760 48590880 3931930 2977820 2684595 26351442 2248262 49426376 13951726 6455543 63058908 3209454 16551566 30464920 6422199 30660740 32976584 13128732 3677940 13117172 33743168 17317376 17745474 18663822 44168032 8185445 38345936 42684012 6331370 39082880 21549258 2958229 8201487 18621732 35695908 18224232 4562001 29337856 9003389 3054744 22018460 38851708 58109552 20930870 3507424 3482741 22121916 2923472 42998584 11879176 31251464 2692459 3432127 3758495 4063669 3020571 6732442 3383782 2057734 41998236 1778108 2913221 3347842 46692856 1672736 34392520 54064684 26517542 1859788 97158736 68832568 66284972 33145328 70816448 6469539 27848086 9980786 24205142 38445380 13779029 3793491 p-cresol glucuronide 352922 430513 29115 150123 23431 452935 157267 136272 24567 180508 114267 104271 179157 95608 53167 297604 324221 23784 70977 313677 51620 122794 91964 293563 104799 511754 142571 371319 336573 982432 1392055 294445 302272 129022 1185127 203609 454819 170359 766851 1132106 19400 284923 1030914 232008 2172679 299766 245499 1040229 141086 719573 80912 1226144 130187 214527 56006 178190 997032 218415 1006006 245104 313064 388620 250883 816646 1087656 189670 340816 1080186 442174 885671 1019120 1769957 861301 912324 707543 182431 51842 535682 119713 873231 70241 1745113 894836 94529 271942 102895 1957691 25979 718657 2169509 781301 239834 76149 106728 96527 813569 767729 357334 221681 441145 433988 146408 438936 1667435 5944698 622102 80093 865531 1191722 791707 1730790 807574 1150262 2775052 809964 1217435 1395610 1092958 589368 149100 824169 32996 1018415 225736 323042 979193 357334 34019 766605 447225 761715 935367 250451 181185 184338 1176192 97832 760329 787149 328227 371979 344853 2017685 5630877 217617 823202 76291 595986 776369 788776 530398 433861 100718 165665 565657 44667 1595353 1104123 17561 185748 1058140 308134 211478 471846 386802 859241 1897319 528284 193085 p-cresol sulfate 329308128 289081056 31204058 204161056 11731273 277516096 208327984 68218264 44681144 178845968 203768000 60872868 43863624 19401992 134156080 7001976 119708360 66320308 347759936 22999618 95538152 21139556 13280637 162353600 279981472 66794232 45782020 134359344 113114576 4705409 245764016 58584284 239041008 239562256 167861760 157566960 235329648 7353744 480508704 179146608 240684624 174596896 407437216 249705040 288827392 166599168 399051808 19101338 380847744 78969544 7133256 7018841 287234464 391833760 111789896 390568064 214369040 22299180 171170992 436423616 206130960 415268160 257065072 94945520 466670144 167828672 279873984 127177848 324397408 374169568 95271648 355059456 268921536 231173712 136382928 216701152 326218624 423473728 239176288 129080248 457612544 253251632 406643680 6295117 385906080 342960320 74328904 292053280 5728234 556783168 392712096 124349736 7863028 49500348 65747376 288564576 99958544 361068672 116035088 207247072 281519296 57033720 300163200 1661370 77036880 587926912 24706758 244240752 386177952 411673152 8119466 199451744 6473392 164928896 11924170 126168328 222031504 284500448 253470704 143122560 132460048 202496832 72644296 248628160 341672448 693513024 199118704 27127772 88472928 2623203 368035040 282501024 351088128 106591432 212283520 4641851 313899264 24027212 565618560 296082624 531130496 431124448 373930048 11024282 251394720 108764912 371398944 12335580 228662304 160451920 5673005 150608048 287570816 271436256 38417844 244846016 172403920 311702048 453217280 160750304 225049424 136146272 382888128 108538568 247815536 359352032 161756464 213582784 362527680 378936288 271069568 159242048 537201728 59395448 49865464 269229536 288324320 346122848 237664464 302500960 320291616 116176896 328403200 7784999 259867184 313538976 3210704 103534344 9496437 79696848 265150528 153547056 277197728 341821440 328597504 368525216 708916544 211202608 241572816 palmitate (16:0) 3764968192 5423135744 3178913024 4793011712 3219570432 3482022400 3121310208 4465837568 3869130752 6578434048 6747423744 4317196288 2600678656 5240615424 11295285248 2681104896 2649628672 3704484608 4787593728 3858586880 7524697088 5580186624 6738775552 6529862656 3226121984 3597891328 3505382656 4799504384 3300584448 5290869248 2838555648 5342703104 5238146048 4694555136 4601273344 6111230464 3462567424 7263646208 3458469376 4826918912 8374389760 4626575872 7082885120 2884611328 4998361600 6906906112 4051352064 4720988160 2066778624 5191932928 3774809600 1866496896 3559248640 4692935168 2962488064 3553039360 4372976640 7083205120 5476815872 6924772352 4226461440 2880092160 2513360384 2257060352 6571898880 4597728768 2943372544 7357680128 7861460992 2862878976 5906324992 4972211712 5655739392 8693549056 3038467840 3013500160 7248638464 5844069376 4339251712 7210883584 5377933824 6211693568 5379980800 5315229184 5944818176 7470440448 6230978048 5350541312 3796005888 2960026880 4050592256 6979441664 6664579584 2675353344 8218968576 2761261056 4093399296 6239967232 5182042112 6278944768 8733168640 5301266432 3515579392 4741722624 3408310272 3653005312 8232548352 7028364288 7298896384 2448994048 3314210304 2684678400 11579431936 3063426816 4395003392 5332186624 7896460288 6954032128 3289385216 6018755072 7283726848 10454951936 4795444736 4912060416 2268863232 2693024000 8957595648 6073287168 1812124160 8145468416 5491175936 7366082560 7888636928 8418276352 3712386048 4884701184 5695225344 5547190272 3982706176 5802158080 5005238784 3415176448 5363181568 5694872064 6156531200 5209640960 2901174784 2325836032 8665142272 5590083072 2593164288 2002922112 5503404032 4321299456 3896214016 2869809152 3133055488 5493971968 5784355840 5037621248 2691668736 3925495808 3990378496 5208673280 7717483520 3486631680 3088167168 5126250496 7832305152 5467607040 5877495296 3403591424 3567183360 4531221504 3192426240 4527616000 7578870784 2723218176 5563474432 2902244608 5579439104 5253406720 6367056896 4466237440 2275329536 8455412736 6917090816 4563928576 4975609856 2338429440 11044896768 7005822976 3540700672 2535321088 2858925312 5969881088 2261586944 5262918656 3261653248 palmitoleate (16:1n7) 121738472 278345504 79658472 145474096 84053616 256204144 235422400 197165104 277412448 732151936 864042752 425485056 115518976 404152800 2342546688 51321444 205426464 94236232 220932832 166358720 949983296 490476736 718491072 685717056 80812552 150109952 115114216 649713920 177697536 338697920 121324200 108178816 661044224 194375408 402683232 342788640 83771976 1231993344 334122208 594841536 1571050112 553366400 791344256 268058144 468658432 802624064 446801920 554898176 89173776 527508224 116265408 73203272 87956072 539372288 138911264 74105704 466805728 1098654208 778121728 974089984 205153568 233994480 205569168 112860632 972864448 540552704 52217596 1449463040 952863488 131097552 888618560 853954304 464672544 933561920 47246524 66937012 1016754816 530619296 104911328 1163978880 622047936 776324992 555285824 567571456 821094208 950396160 1039652864 1192816640 554617856 64667080 220914592 914402176 1210427136 126889128 419363168 77771016 152158944 455205056 474673024 424307840 1055225920 330396128 216500112 318731232 434340448 98902400 1529394944 659687552 317404352 67934936 268248080 215103936 1876746752 184475008 171102880 678212160 1008609024 652805632 238709040 856119936 803899520 2072854656 484691136 732847232 72125648 107340256 904580864 272146624 38748440 934811200 438066976 1276164608 610165632 1587683584 511904256 1011520768 405257056 825442688 371680096 913420160 539528512 123063152 934558656 983370880 748632896 911575616 112671120 63809896 1250241280 684844864 143334848 47856560 452505760 333926272 69534056 75207224 143280992 700967424 936994304 507959008 108488352 217027392 124564352 488129952 3191566848 192943520 78284768 1016884544 816833152 622466432 682987136 139227520 80405776 528157472 205772512 358593408 960352960 84653864 507981216 153650224 563862656 450690944 798911552 395177536 51440184 735363072 1440533888 582747840 1179720448 70825952 1454297472 1057283584 155638944 77455120 82945600 564915264 86321416 438746656 96391464 pantothenate 4080892 3199868 5015801 3201644 6428089 2247986 4130723 3557502 3612323 4452150 5207952 4944287 5198617 4984370 5917787 3291399 6587727 3445129 2616632 4161907 2658510 4438837 4552029 3524427 4823914 6013117 3674957 7021986 2879614 3549783 2790437 4555528 9810387 3165743 3910679 3610427 3205801 5852038 3818973 3553810 4574576 3976844 4024321 4419942 3521919 5581761 4476692 4263735 4843910 5728427 3907379 5222260 4094287 3378107 3175983 4570261 3505600 3217240 4847158 4178835 4342594 4056460 3182342 2819145 3393707 2522302 3468798 3764347 4294213 3375372 3504296 3153769 5418792 3289733 3806591 3038990 6440454 3939933 3212165 3224771 4748018 4073997 3208464 2513181 3609054 6637248 4333343 4103034 6241703 3022611 4765464 2393866 6470802 4747583 4566799 2881882 5795270 5313148 5349705 3500729 3329880 3906463 2510983 4076501 2362929 3469352 3924641 2061903 3876336 4216646 3861298 3406337 4034672 2016620 4194265 3025791 3182270 4870481 2892801 3473000 4187108 5289830 3321264 2943031 3768891 4417093 4489000 4724162 4353525 3243667 3714362 4632959 5723194 3335064 3996663 4476405 2869424 3760334 4083989 3332040 3069354 2178121 2986747 3700296 3024183 5364295 2505177 4431579 5809415 4183782 2180609 4643035 2261746 2982192 3229321 4559382 3361830 4129309 3233275 2849097 3627804 1500405 2809956 3124789 5099575 1963678 4661888 2168981 3002022 2929379 2943682 1998080 3918616 3702313 3920341 2834761 2919050 2309417 3718344 4070375 3910373 2965549 2168966 2246361 3226898 4936996 4582321 3671225 4008963 6423579 4838902 4632999 4282872 2908051 3726648 3185825 5421393 3683171 4054499 perfluorooctanoate (PFOA) 48487 58646 62723 32453 117870 77482 67364 61719 118009 65584 115314 96118 55924 71589 85022 75370 45385 28798 38279 36557 119090 70371 40096 56880 47602 73305 45240 140785 64133 32703 70111 62615 76140 55138 44546 63483 46227 63062 29638 35305 125966 109555 56917 22171 50351 26042 38740 56803 125853 48852 55441 44430 66062 73596 71840 71276 79275 42103 58200 54713 66062 161815 75525 67976 48585 40731 37596 70273 60353 41419 107879 56696 92348 60476 158827 70654 38721 38768 64265 54089 125480 48693 69794 78582 67223 101097 63102 30528 97993 108696 53067 81041 78106 39596 71641 39198 145106 81871 72334 89885 156935 38505 73695 61272 75297 31417 90527 33444 68899 66159 46893 85586 71247 33207 44429 97560 135576 55626 68482 53454 27533 40694 151885 38009 40255 39206 58284 122567 73940 42286 94833 93830 60810 57121 44070 76339 132259 92807 30826 50413 27442 57893 49788 40354 36388 35531 phenol glucuronide 61630 91646 121550 41598 252198 27187 88890 36136 92462 151191 21315 258212 93626 128416 34800 176444 22352 53943 55848 102045 77015 45677 146935 50804 87420 31650 28234 54545 35251 282451 35609 39855 37638 67889 31825 61875 39120 57497 403103 38874 56751 109197 69531 17935 47907 28820 60593 311222 194609 72593 34402 67552 38234 44917 161134 42646 94906 25726 65723 168501 120204 61610 45901 40457 50860 172184 82496 26612 55547 26893 106426 36382 77368 564544 228099 158577 54234 23927 67437 48133 50523 150208 148526 39529 46624 172519 276188 43174 93479 113973 19610 105097 81385 118273 46585 77949 55141 105677 88094 91385 46774 59944 30746 27706 84163 phenol sulfate 48047916 36584584 48321320 144931616 191751808 113238816 81510616 218695808 77495192 37669988 83413624 51519468 64256316 75505800 125634848 53341480 94035056 65631816 39306352 51118424 116481352 45643420 28789148 69268192 52780316 79771560 133415160 51680160 66725308 210914736 84833200 79791232 67303368 22723496 77981336 108538456 48151752 149261600 70730856 65502668 47249692 54041220 44413732 65032804 58441044 26891896 159215808 81758888 58238380 48712212 83370808 75661328 141348752 60507036 63367032 54800260 49665584 199443328 82222328 42781960 64557180 100687064 39923856 108685224 50977440 34771328 43583948 56139652 75583688 63840696 109427424 240602784 72561168 56783000 92492496 61731536 84136016 63560636 50209160 87436648 47813160 56754584 47822024 112010960 122226288 35886096 170932544 49710060 88774776 41269436 50151556 49321448 38720512 57766828 112648480 44496188 243816432 37578864 32815922 110612352 30141396 113153208 52134464 106361520 44395912 71887640 54620120 18172782 40439088 61240620 78641184 83363888 39639940 50335572 267358976 55000008 72216816 45439808 61070252 43670108 45590708 41302908 38179480 84335592 41353440 241323680 253689536 127853696 184268128 89028576 45927544 49404276 78236240 17656342 40530736 112586408 33632068 235111872 164139904 83884400 28724164 27887196 41605044 71416536 27116366 27274832 62190172 94596744 129971688 26495602 241438960 67947936 49541868 39034908 43537120 70643296 56907096 129737504 40373032 34398256 40384492 240227520 126093648 117010528 26553588 44257004 61996568 42253304 63564940 155316464 86592864 197870960 42291220 100847208 79230912 48666824 38536928 126330640 29506098 83877608 50299184 73269224 37989468 126087648 100159096 31101126 50591944 61005256 120618656 113370456 29645186 71690120 107400936 59266236 41695352 54892496 92473784 44631744 186424480 phenylacetate 210990 575657 54378 181222 388091 315362 52675 119955 186606 149542 192113 55276 112136 120740 101452 123191 487064 41872 78038 34657 97345 116175 437129 202052 605048 55046 144924 244328 250542 680185 1000820 481720 87035 202027 269478 171135 636846 435211 246727 152415 690937 141395 699528 84798 223054 100098 1084660 238501 179817 263211 253213 174743 459982 344974 1525820 288082 364750 173008 340875 177601 235192 1206287 192587 569714 761511 421035 62171 359131 243683 240807 32817 282633 215710 433629 164760 151674 847804 605487 555575 24168 427529 712615 146436 369939 134294 688053 365914 723977 32161 339557 340713 65592 673475 215147 478821 563436 195086 288815 787051 126115 538764 244397 607159 1248081 440405 72238 163316 310614 263916 193131 1197943 1028031 166977 136757 195738 548031 263755 551355 729252 1973637 742550 56231 233052 421020 835832 835937 359090 263381 93721 439882 87046 1005175 673622 690891 1068345 624081 82832 313014 81016 489473 208240 276920 304899 309846 116811 703305 174243 160476 337583 359146 1049993 779826 207207 116025 438819 834730 229411 504048 1167859 324873 155973 576012 642422 1677696 416145 380362 422546 261836 604642 576200 414898 226351 364136 48754 300337 1233253 300337 308399 446217 132521 119016 668640 416689 124610 723679 217416 272408 1733806 1577954 273096 623177 phenylacetylglutamate 119472 55311 46192 30151 39984 57119 164980 61484 49669 314098 104229 40476 93937 41589 74997 212351 147062 40949 221224 84566 119671 175688 34259 132381 219120 65926 186206 53242 116202 41101 150743 96403 173380 77170 175454 158386 271251 82426 99195 30209 197299 121121 121183 136885 65943 36929 67234 351686 53733 235837 221710 147597 208554 288526 55561 155887 86580 39933 119609 44514 133008 146339 98300 220207 113523 67788 89754 54302 133666 220849 125239 64440 175684 98177 23898 31414 218256 80168 171113 358000 190013 119243 82097 135544 34529 70308 119342 265460 184530 287291 368225 207956 41935 62876 369415 124078 90105 130103 215859 328887 24326 243479 132698 138110 183727 244792 245920 352162 220743 36919 40908 149914 154496 165411 275330 169244 98397 163581 39969 65558 114981 70124 76268 73370 37514 226610 89127 465325 621280 131149 phenylacetylglutamine 19747712 25162050 3841314 14684474 16418301 23020802 9230418 13754288 2106772 16933714 11971781 22946656 5751371 2726266 11545647 5012046 8846695 4330165 23741892 4098324 6447338 2180647 8419672 21030880 18291364 14454145 33025496 5377868 14779431 25287106 22736740 18420036 41710924 26150748 9634956 9096225 15356787 5959759 57014408 18364422 21175954 10147440 35445252 11207167 34210416 5929561 41390780 9142298 46779152 10927021 17538046 1445493 25061138 25438026 12834602 28296430 20120916 23319772 20581750 31316750 10518486 31138634 13020133 10467916 33809988 19356544 24064884 7471544 35757508 26394280 6104826 17981874 26030358 19584484 6550610 12259937 25070136 54215440 16939208 12841242 46027652 28300226 30852252 2252598 39525484 40511912 17089168 34141256 6975072 33427928 18241966 21827656 3610179 2073782 10560233 36064944 7274402 22374642 8659427 32700564 40319164 7531479 22451242 21760324 5810303 47666932 16195498 33081272 62233520 28833392 7525931 8330580 2339541 19273118 8584893 10011531 22878150 35226072 23502542 16943538 13677802 20078860 13578157 33209178 26140612 79032592 49135232 2217040 11639425 1493637 38240596 26458742 55198956 18226102 22457794 7000382 20387600 5832998 62411712 30077330 54058872 50373572 40317120 8197532 20898550 6051947 52239156 16193326 19756978 10856195 22251266 8232594 27399084 16049302 9827520 30262084 17757438 18781138 55214448 10278513 10671173 32284722 33939736 8649791 27384714 49353552 13937270 14600021 33579492 41227496 61846444 18798006 43763980 17565074 17539928 15393601 48067588 43289240 25398558 30032260 9129868 10544586 43628712 13105098 18917336 22316498 6899882 10982151 18661808 2368020 25775380 12301221 42152560 16873392 17327150 66906948 105923688 22741926 26404162 phenyllactate (PLA) 1816164 1269319 2145228 2432495 2437026 2304834 859677 3112968 1560635 737925 699295 908034 4605148 1393226 2200093 1867634 3533433 2741386 1542771 1896163 985102 599727 708626 1160278 1756902 1345668 1277496 1188474 1348585 856143 1558446 852658 1997672 620944 1029173 1229255 1662037 804305 1202179 382237 579576 1395091 731002 1005726 926608 799455 1709046 1285603 757822 1259593 1597985 588314 1458877 1627776 1474315 1517883 723652 1181249 1377319 980846 1636989 984339 1022184 1245514 1616118 927001 2432575 1079858 875259 1459024 1128942 1689886 1007750 735753 1154840 1070444 788313 1047847 971096 765590 1455400 857468 1624945 1237548 780837 1006288 1105516 456038 1196210 648711 1068678 1349790 973320 1801887 2729364 1734363 1297350 722548 1107791 2294793 1681039 3662379 5442030 4741068 3457359 2420893 5646117 9564240 6602930 1664950 1997744 2454803 7105278 6105732 1477671 3655034 2460405 3714304 2609355 2668460 1898360 1848803 2471627 3608717 4110686 1980692 2349502 5444881 1865936 5863069 2367776 1898604 9068690 1865395 1621378 1640914 4805443 2724461 2604752 1762203 3549754 5567990 6126049 2685297 1305636 1340932 5183449 1586941 1547917 2496890 5440129 1699112 6875993 3257373 2257169 3530295 2334717 2749413 4724057 2185098 1265504 4815925 3719472 5858727 4174935 4573981 1833024 2652828 1111881 2105756 4798156 3110368 2205687 2441048 1929641 2447415 8736008 3052831 1992890 1925788 5988473 1334635 2935869 3434843 1539630 885229 1821336 870719 2602767 2597409 1670885 636422 1912222 1156930 7611703 1152600 1624873 1210836 3253388 pregnenediol disulfate (C21H34O8S2) 2068283 5453808 7545996 17083438 11305192 6034043 7897677 11440794 13202227 1576610 3230068 2433857 5038329 3631130 9600835 5015587 6596728 2318332 1926647 6443803 9873029 2999843 7923805 9133828 6741365 8171431 8225259 3982952 1396898 5306159 7133228 16928100 33787576 3162965 2999773 7187667 1469503 2573292 3373606 2385778 2782217 2881083 2726022 7160814 4691494 10394497 2700286 5187117 7447402 8673246 5720130 7578731 4462544 9250292 4860389 10111161 3878599 5011564 15805481 3140786 2245779 2981573 2172366 5146053 5301946 18396186 4246365 6541350 5484584 7751350 6645735 5907109 3897941 8025111 2310696 7286559 11625929 9329762 7490018 5024867 5307908 4510513 3734298 9540446 3831938 14837912 5013776 6852868 3972855 2386584 8291765 7182486 2016642 4846164 6772982 10728560 21867004 3513390 3405445 9971804 7379118 15229551 27953218 13664040 15325821 18940730 13857504 45527260 12480171 6616494 4412364 5971973 32283696 29450132 4961072 19413854 3250196 12579198 33524786 27182696 37294292 7813952 25098384 46075584 4156983 11372132 29681944 17077088 2007447 28693228 17990534 93495032 83734136 4872155 5348725 7389153 27219678 4220151 12249456 9830462 36228088 5320027 32007278 10400607 16060342 9668944 22053066 3379141 37482048 11597933 79732520 6985636 32884448 6841823 3598840 18087712 4061489 8813991 23447136 8590888 3106398 15210146 7861222 18399632 21538400 56597976 7999603 8665821 6907012 8818137 23179684 3109166 4578251 11344742 3210706 21800310 72030408 37280636 15013732 3646647 15011630 8626022 9387857 45788976 4580935 32178494 10949128 5307217 11902325 7355754 12952712 6563384 4618328 4742519 7111688 8696151 2657712 6585444 3985041 pregnenediol sulfate (C21H34O5S) 714720 2641523 1363321 2480563 829717 1913367 1975458 2065637 5789680 866902 828300 736905 1531502 734466 6064494 535018 1272756 1353346 1044102 2370880 3249383 919004 1181139 1659922 1773998 1566422 1260008 977028 767204 1732016 1435284 2757586 1909499 1197147 842360 1322532 1073842 549890 447077 476887 826273 1035276 936785 999992 1144732 2851760 574516 1107491 961630 1075949 1810303 2037470 1060531 1512537 1172414 2945613 1049818 1355108 3690430 805085 1350627 672927 757011 1014590 2037621 1797269 990000 857751 1066211 1208256 1712416 1785588 1353006 2171294 349370 1773883 2295883 2272098 1919788 789272 2093630 1134174 1351612 1762292 1371832 4636020 1543494 1601753 1784088 1033252 1660831 2353237 924222 1070305 1612787 1360123 4902067 1336575 663303 14322131 4096838 7124363 1760681 10860638 5056754 7527451 21194950 23948590 21944420 649136 1021524 7267028 20274826 13962363 861884 18382712 7254055 12270898 17735976 14972168 24823926 5957642 15363626 19877592 3842320 2045961 17539576 15393171 641271 10280427 7265342 29512514 47195464 12167075 1114029 1453958 3649573 1310478 6873033 6875241 16568385 2230133 27793052 2410348 15004494 7659086 1736828 581778 1895486 2724284 31359014 734619 32390706 1591652 524061 4371773 1501935 1028413 10515888 11798567 1052561 1466163 4234860 13498012 18470184 42209244 2135228 3424353 2706060 6769399 18804272 1214749 978056 8187855 2457880 11610598 36466912 9498597 2883904 382251 15302178 5099842 11167805 15148231 2291460 13906339 9913613 1526689 3944022 1329693 9231234 1570996 945616 699858 1677332 981819 332508 876420 1220662 pregnenetriol disulfate 335775 1992803 1227022 5807220 2748583 2765663 1496840 2643672 3704802 358333 466239 354770 783093 554127 2887407 607138 1726670 320517 332495 1647847 4952578 516879 1173481 2187231 1603453 1430027 1187693 1065837 227578 1788795 1960415 10028585 3570336 779470 889793 1699419 194852 372937 407166 225201 500572 375861 490002 686684 1055946 2057602 564540 556738 1178375 1542365 931809 1581264 661899 2362101 1344796 2578129 532116 679473 3465374 542448 398563 472990 435150 1082600 2049224 2911110 1702648 2306275 959065 1799414 1974327 1380695 931502 1586074 296545 1883399 3195985 3099246 2487231 1483678 1381693 787791 1303080 1911102 925300 4258166 529735 1882664 704232 472635 2299609 1182354 300110 1107674 1645297 2377465 6647344 1062531 945813 1795796 3063099 3196196 7717114 5313403 7362646 3543986 3326438 10024507 3002583 2203026 583689 1303763 14336992 10630932 635518 7000077 1044484 4129540 11186886 11248639 16668391 2885890 7644258 9459873 1047462 2290539 5737487 5662934 405114 11391287 6649272 42664800 21689614 1684344 822970 2261928 3638905 637292 3119671 1999992 9818792 1263451 8597856 1370646 6181678 3337672 2949441 312968 7018840 2515526 19698026 1498726 9617992 1977347 1040178 5712404 836623 1109884 6380049 2423980 528925 2635661 1719669 6308329 9652604 10690251 2435987 4552373 2095041 2413345 7036651 860639 1305845 3402659 658456 6393233 20833800 11105212 5074578 981992 6445730 2202917 6750692 11098411 903249 8551174 1913439 1519298 1617773 1164514 2725364 1375878 1110788 873407 1254960 2027191 440229 949199 1498504 pregnenetriol sulfate 161618 1390965 514738 1377776 533464 1203513 614102 1157549 2631261 237618 186848 154748 362897 207768 2590636 132175 720649 257829 232810 955887 2464885 294717 392096 669250 798903 581779 265015 424854 162461 1136336 664984 3165488 773677 454901 384773 707363 246750 116417 77862 92329 226812 273819 221496 207794 486629 992775 139943 164414 389446 442340 442478 745851 330574 663541 600451 1293265 210771 352974 1424065 224818 322693 161741 211021 428954 987842 1286278 645870 669514 321668 771987 1075733 845791 526505 775875 78092 825628 1332356 1182195 936639 408625 791185 349622 859594 645432 674174 2178514 222734 755298 523073 300196 1026913 667237 173486 462152 697106 618014 2705506 585426 302558 2417948 1620922 1869539 1443784 7058549 4027951 2239130 5378644 8218206 4754741 442638 276038 1542562 9600800 5637329 197887 6966653 1760071 5133462 7220838 7059904 11135894 2206029 4393116 4885781 1335394 812813 3653032 3873920 179004 5683538 2593526 21760966 13215824 4226855 433079 726396 1464444 429779 1702644 1432610 4355265 736100 6340860 663054 5531251 2684167 449744 106979 1183392 908913 9353584 543295 9898544 677461 368931 2396999 465642 280466 3039683 2657282 305712 581444 2179415 5291906 7268325 8720930 1167652 2420702 1185953 2399670 6789889 552721 574016 3179974 589416 2900900 13436053 3702797 1210833 197603 5649346 1065862 6937748 3925317 873350 4410609 1484296 706205 940659 375462 2585207 560827 351595 189954 369358 516472 90113 292722 858476 pregnenolone sulfate 240661 1483807 391168 624244 485875 658601 691708 2713556 382376 221104 180443 150261 3257814 385438 403304 445349 548191 1083878 367289 510089 504935 838455 506640 666963 159291 310000 505100 389183 949729 1153296 283485 171528 709927 353697 356971 156752 428931 270411 223595 263883 315369 1249157 123916 571533 430927 305296 699472 475614 413643 306831 650210 778506 245375 665116 1347574 228515 346517 379969 558201 510723 348213 215388 339875 677424 170001 279518 214093 664929 38156 423008 1243371 913111 1111842 361715 391347 488893 855758 515039 365917 2184200 658415 415457 460810 326167 690279 814121 270359 495162 285609 549927 1090291 491354 183810 5195313 1580768 1597449 287025 6147399 1769016 1074758 11737202 8667192 6692261 195097 952356 1490193 14390471 4201148 217148 11987147 3589520 6619995 2601524 4870957 7669641 4349952 6898634 5961382 1830841 834005 9732343 6515809 144703 2372109 2134051 8134730 20889352 4662845 98954 571863 1052212 1172998 1599413 2603273 6818471 1070038 11129738 998065 5207555 4692069 744526 192632 765941 924735 19695940 91438 25941800 211899 241398 2165771 232001 279547 2680343 3824500 344510 247568 1315570 5093254 4862628 27643220 511125 1027395 1075298 2246093 2814571 172023 4583092 577068 2663304 19165270 3942042 1328910 76646 5344292 1774425 6215901 3875570 392199 3349350 5530358 297283 637728 327964 5202889 542167 179188 435479 511844 374946 propionylglycine 151627 373244 185102 396927 660667 132453 576417 401922 457274 106038 298597 206764 502223 571869 748132 186034 945230 747761 190014 50654 230120 226170 524724 271208 623824 930691 184374 692996 429160 379317 215269 243338 113950 269333 634841 396944 411871 406327 443979 423196 222718 353613 37397 453802 416843 41856 184727 264815 442231 278258 435746 583904 122770 229404 271413 797330 167015 609234 2229952 511231 435201 472450 237650 104207 136441 262826 261994 163923 553022 571737 185949 452677 195086 504552 243153 314920 167449 272189 1530870 379368 530397 353398 408846 315143 1000077 309781 156221 571830 53277 267418 889236 149191 233293 66755 299900 195214 256905 460850 276111 131947 485888 159726 58480 228896 379304 706959 189367 1013026 272394 379800 198186 127221 280339 201064 259478 104871 135908 114947 191432 254277 522484 405046 78171 44975 143903 350563 186374 98682 243686 334903 197306 1035906 264756 302009 240296 742342 116490 190047 284159 86541 40834 163857 237025 213199 72201 167607 871052 209157 86227 534828 812762 62546 298434 687984 583709 449527 154226 374169 289482 126199 426475 413840 122521 174970 1002046 476780 86515 245634 186352 484882 131887 111265 88385 339911 184404 312894 145236 489672 181935 259583 705882 459058 367073 33473 283994 102932 375830 propyl 4-hydroxybenzoate sulfate 30552522 52526 67782 95459 250576 310871 128720 9394165 3843579 417345 1772169 50917 380399 21096834 168868 984486 664334 4238766 13041254 2390039 127592 75336952 53573 18435166 538651 7592691 67137 66899500 472389 796542 17882294 48247764 26228856 38337836 3852139 1721998 2663343 324494 420630 131142 528494 321071 12183705 340600 8128712 1525686 69357 41168204 2581090 1887242 220721 3370389 57092 15784346 24359424 263557 73712352 1829757 22020 26240354 510996 56460720 15160617 9594668 593990 25807494 1664410 pseudouridine 10648105 7659332 8966873 13393462 13411204 10469157 8488719 8202436 6841312 8770803 9689281 11537521 10316687 11524166 10792590 7758615 11586172 7035403 10381862 9496953 10204393 10009555 7496948 12595157 12421183 11706819 15544313 10821357 11546907 9318566 10877797 13450966 12781818 7792339 10606278 11368862 10938120 10434760 12577932 8503474 10482603 10323051 8622679 11508176 8842111 8619525 9633489 10993124 9527923 9432427 10426214 10309927 9346578 9850888 9441024 9424521 9634192 9883818 11120897 12023470 10638150 10371088 11301865 9606168 11383701 6879970 9810718 9739812 11444705 9383623 10138025 9324688 9542379 8210002 7600190 8565251 13411799 11592455 9690838 10328982 9260020 10490263 9936468 10000927 11858740 11135072 11074811 11715882 10986123 8395180 8073174 7614506 9487537 10409609 11657937 9538733 10932413 9104330 10142350 11974031 9617730 10065765 11234022 13724497 9358003 12037659 11456463 9280605 10548925 12210287 12138822 9029008 19844288 8614725 10450783 11524334 10275918 13284441 12907984 11493603 11892019 10741166 12111555 12419091 11544972 15132383 12143770 10017981 11026485 14807766 9533889 12362520 13519758 9142488 10443345 12125715 9013895 10518784 12394498 10063871 11598114 10449445 14142153 12138316 9404654 8589236 11886710 12644660 10524827 10289350 13438389 10124678 10629048 9319512 9966793 10512720 10216947 11413724 12074472 10786714 10981319 10530951 10691860 12260138 12033566 11050701 9308309 11889774 8520753 11365307 11678326 8977265 7874656 8982080 10531334 10283964 12118777 11672408 10305993 12238799 13369697 9425579 11591448 9832624 9278602 9605898 11299534 10493509 11090651 13365416 8623762 11351596 9724691 9875986 11197634 12314315 13746598 10515964 11946700 pyridoxate 757077 838014 1512725 1558442 1053960 427036 1879345 878056 1182210 1358277 1812119 1351058 1797272 1417206 1728789 943561 769184 1223168 1248899 1462910 1051369 2816763 1312838 1263609 1463456 1131624 933933 1392861 1649568 993658 1805627 1728413 1036874 826499 1338173 1013583 898173 1630037 1034500 751594 1195210 1411737 1230939 1266738 1641692 1173541 1263108 1140264 1187956 1469936 1285480 940406 1103314 1293318 1435758 1754784 937243 1221098 1045110 1235083 1517195 616650 742223 1234006 2177614 541790 1212513 1467487 1556132 972765 1349051 820701 852745 1195827 1248463 1085850 1380228 1755342 1435948 1102190 1288751 620093 558500 829432 929541 926231 2144465 796240 2211957 1148310 855990 1194737 1706442 1012380 1703372 1116006 1178459 765850 1503865 637425 1362967 1904696 538030 453690 572866 1452585 419389 607037 615910 874514 589236 273337 1109224 643364 432832 329968 330139 579998 637056 1518347 903384 665009 488927 394128 520320 905405 545351 229462 1499206 675855 915590 819250 1127684 420466 1107358 669785 341627 336795 777907 560200 729746 834628 741316 627205 935270 588741 914868 688423 617107 524096 388413 690351 276612 726613 2666654 1831824 647187 587569 1227556 829132 1049445 541726 609506 407168 611655 393126 682642 490220 1142968 688554 593236 445756 743371 276747 1010703 406457 430745 903263 1100568 411355 1607857 403962 475804 340255 873721 805956 753982 856153 1403900 777768 499403 1018768 1477294 830415 758284 702310 1278844 722949 560034 pyrraline 739772 840951 908734 956919 1065683 476545 377424 286445 282386 116244 199312 32029 159020 55582 34019 972498 803564 447460 537630 693585 33663 92217 77712 1025210 538143 820469 102281 442948 358220 409836 616943 213928 173920 39673 184474 606838 34374 70786 50182 70537 320776 145002 98865 55561 60775 19372 86803 140150 99880 927645 40208 1008013 634517 62031 846044 610377 394316 65949 322230 559220 58358 805706 127342 122471 193721 56275 1614363 1216964 110596 87103 79216 62971 70144 582605 207387 226458 443631 714482 737593 78617 574052 548161 1590965 1093797 98112 92799 40790 64451 182854 591660 624190 64100 25141 55932 23198 356540 280276 246013 58334 20626 130828 194310 26249 545210 143488 36464 221821 149840 131958 69941 124469 682042 21659 311084 330169 116127 221708 38586 265602 23522 202389 39126 32054 25579 224777 593290 243698 325571 114608 387997 39316 127037 236406 759259 83456 48315 31407 164951 66188 518429 271608 46441 134951 91576 33059 26213 341881 71869 173920 583603 93446 108179 42690 501384 263988 497714 280890 307502 145523 S-adenosylhomocysteine (SAH) 65707 42793 65500 76116 83541 43508 51661 76284 55001 28913 54735 32564 42444 78522 45242 79410 28712 35581 54725 33996 36869 52259 56521 81856 49818 30893 58108 75503 25241 75485 73950 49611 43799 32625 46379 34364 45173 56860 35088 62525 74872 65574 77607 128751 54851 18007 45970 25478 52807 26868 29503 35259 34428 55536 39332 32763 54670 44155 61254 29551 54264 28225 28930 21814 21763 25309 46297 52336 35973 20903 34824 28624 26657 29006 21508 67705 46052 30799 42844 77837 67047 44574 62240 49443 74585 20293 68971 61517 41426 21728 46428 32441 59001 56529 60637 63354 60241 57883 40370 29926 60533 44119 40887 56863 28511 21687 35490 28143 56666 59542 35899 26752 75489 55567 90086 45597 52159 32434 36529 22642 27978 56959 57683 65507 54047 47914 62938 38023 59782 95605 112648 52307 38280 31496 57129 25258 53451 34362 40729 S-methylcysteine 1063794 756414 625760 1285103 2058596 789851 3618991 1058985 678719 2211597 1416413 937683 749429 1143762 846971 591864 498519 489996 793285 1172408 437217 687502 990735 849125 845803 883607 715040 706526 5585862 3020308 9552544 2738745 359394 1165142 704792 828059 802732 774339 1595698 585730 681475 533894 533947 601544 1641625 685500 509914 664301 969787 601830 1750304 856328 961673 518709 504268 539540 828780 663943 853785 800490 806827 474875 498413 338787 723787 264775 652727 572782 1037813 579476 606318 580472 662814 666632 948931 708430 691135 3419157 7607968 630253 640779 655513 1953024 650554 681894 627764 676882 416086 541120 4514101 596927 584346 550775 565545 692409 1014684 834429 779492 540489 463114 527839 354853 1863301 1322148 415294 582977 819179 381562 821326 418804 680347 1196288 467124 930813 621087 410846 726276 524412 1088080 961598 371154 1073351 4340619 553962 513984 806300 217323 541717 1039588 321063 3427155 527587 1151964 371541 2041631 2019901 350263 569312 659897 425539 138220 1242426 277424 390011 441167 589263 348078 725596 639854 477150 395450 667658 603248 310750 2849346 592147 598722 524923 319251 2817223 927942 742645 295754 318071 309453 239812 684940 454471 1577475 1878871 1819227 1352971 834143 657111 1609462 724374 401084 552981 1039851 841468 702461 462016 6354485 1649352 487664 377529 453273 324285 235521 617393 312120 523396 9265649 903137 673405 757229 1376285 794606 748912 saccharin 5399625 446806 247289 106494 715940 551929 96099 54026 365491 11957915 1591641 5333485 1385857 2660730 309418 76441 2235552 2444061 6428890 6834692 1443178 5801011 886177 7390651 17260596 1403396 37991792 18233018 4575722 5225894 1839365 4633242 9205257 315483 3360261 1696765 1118718 salicyluric glucuronide 31960 2314863 stearate (18:0) 2085322368 2250876160 1776585600 4417588736 1528573440 2955763456 2196819200 2148083712 1787299584 3557201920 4506648576 3455097600 1963610880 3566137600 7045821440 1368752896 2417102080 2236143104 2506753280 2692377856 3106657280 3145654272 2840320512 4277825280 2640798464 2296663808 2005057408 4336973824 3221108736 2866260992 2405787136 5117472256 2805793536 2653544704 2571294720 3633658880 1769481600 4084712448 3213571584 3964029440 3978276864 2685372928 2173028864 2056885632 2638626560 3097506560 2284108544 4062019840 1316854656 3310282240 2849555712 1705840256 2592872448 2700904960 1505800576 2393435648 1816231424 4335037952 2825873152 2888553728 2573459456 2439261184 2475858432 1656656768 6151811584 2031501696 1781828480 2730616832 6086312448 1820018048 3659360000 3221239552 6447013376 3569510400 2103212032 1376396032 4532221952 3264034048 2743748864 4183561984 3364096512 3747004672 3661661696 2857026048 4086013184 4302876672 3261325056 3578391808 3573452544 1455595392 2055799936 3912718848 4019755776 1667368832 4036825600 1858600832 2208907776 2751408384 2644958208 3569147392 6418133504 4667765248 2405597184 2636635904 2366462976 1935109760 5674081792 3087201024 5590753280 1519463168 2911212544 2193449216 5882091520 2394349824 1987963392 3531543808 5957522944 3402663936 2380832512 5306569728 4177892096 5103610880 3852472576 3640946432 1782712320 2318824192 3561457920 3674548736 1884677632 6544424960 3083888128 5122549760 4779999232 4619536896 2367348736 2494048512 2707885568 2574092544 3111710720 3046707712 3783143424 2379886080 4008895232 2284194048 3754602240 2671092480 2695746048 2828680704 4775911936 3709082368 2763028736 1935664256 3327794944 2872450816 2130042624 1900824448 2196232704 3012168448 3673631744 2914401536 1491842176 2973812736 2524154368 3206477312 3988147712 3766947328 1619015808 3339399424 3619473408 3348667136 5271512576 2683946752 2158542336 3917995520 2565892608 2722985216 3985302272 2256780032 2868189184 1927620736 2922936576 3506417664 3960056064 2780861696 1820058240 3310549504 4185340928 2875660288 2456398848 2634722816 4640019456 5147046912 1876406144 2282721280 1529694848 5428153856 1675352448 2538011904 2132555776 stearidonate (18:4n3) 1136848 2865633 766527 2133343 960073 2077010 2146397 3340212 1714387 4580745 4874570 3504004 620400 2939999 5046212 514047 1340244 1115291 1906251 2891820 2973377 8095446 1847380 3486256 973522 915803 2094871 3448348 1190012 1847589 872392 2682309 6080456 2678785 6939043 2108762 1815046 8002277 1434767 2077499 4390096 2751052 3555352 973890 5405525 8172546 4338252 5309167 1749622 4503567 4141468 3302127 1020893 1967024 622041 977011 2171538 4907183 2702623 4382457 3203643 2333564 1565386 2046528 5202409 2171492 755821 4404580 5570144 955362 3373228 1743560 2843982 2228110 664070 509784 4422666 6213172 1738580 9241451 3527266 3651042 2379351 1035411 3625458 6099586 3192614 5582681 2929826 1138555 2841293 4495880 8786581 1196377 3250522 743902 1104254 7794962 2630853 3250585 13247629 5352461 711605 1388421 1210390 610724 6933313 1226126 1924515 284412 981568 1130813 5611778 576848 2157609 3303728 5549207 3494728 922691 5460104 3694847 5295678 1750232 2322779 393793 251688 6340770 1344493 112425 3350699 1773616 3977493 2222334 9670960 2735257 1413938 4317583 4285798 1319831 2108739 1543178 456104 3220215 1886335 3489164 8633570 481188 1071280 5141764 2628206 551080 560669 2834221 1415198 1185934 434568 662887 2951863 2938726 1877114 726484 1454597 929939 1904800 10284317 2533816 512372 3001917 3790972 2650880 1889875 3675146 152275 1775031 1184543 1973048 3916794 538945 4270297 2361553 3613152 3101322 3362277 998415 182138 4052727 5068482 3825041 2714169 666101 4464027 4003683 1371680 1363795 491266 3784738 572421 981718 876729 sucrose 55066 2186341 785437 914569 644403 273390 75046 412437 181119 46285 152967 101279 418878 396753 62368 1448059 1392965 1663904 913704 131932 1023810 217697 27302 620458 446049 74797 221077 91319 73864 109245 108070 208813 172528 448815 71398 127964 95169 107956 21660 60163 393517 90760 219295 1914932 202231 501487 158271 159227 1761754 292968 131258 343015 139959 221367 327119 135428 257294 855292 105110 247300 389652 3174783 712195 63221 1813045 66549 45450 35157 3646047 1593460 504846 44339 57183 119721 42555 247385 354315 98443 197273 334534 60848 130665 742119 462518 69476 44514 1246369 2552552 857366 2142196 192821 490534 591225 90636 81058 52662112 127580 384064 2114634 723831 780546 1183872 384849 377713 61369 7024747 151254 18400226 2586606 280216 373928 43035 1047550 1099508 1088861 896701 14755187 11498700 1107820 154360 652716 731271 269827 137407 60787 672462 729794 702452 3253223 159750 293111 1798286 257994 3159112 173153 58048 134078 193740 8707105 29545310 2848590 177860 342148 1794445 624906 202355 120343 403895 1195132 44303 602796 6904425 32929704 98574 4447455 2326422 114767 592614 14990999 61629 338297 162964 6526537 87572 2250505 2072735 1934738 339263 317381 119132 212245 3754713 204225 1846352 123617 74195 663319 652584 75735 1612024 1642685 101849 34501 71369 355450 47487 543736 sulfate 128472904 119214856 81199208 117379560 117098688 149522576 90681072 106777896 86620232 109643296 117981888 103933648 122020968 122032592 197785840 89349000 143610112 83384032 154304688 136184416 121700072 95547104 92500224 117305304 123330288 125483048 193627104 138162464 133764096 104571576 131345696 120651296 204524640 105982528 112282688 143363872 64741356 129107048 110645200 104697952 119914768 110827712 122927912 132289568 113381480 109300200 108464696 105658320 136758752 143109184 108670480 114524952 107398312 134863184 127350016 120072536 117079400 134791968 112144528 140950832 115001872 117171080 129809960 120698056 132437416 125677816 132014680 99976752 123321576 128609048 124877760 126828424 132754528 132835040 87947304 120325520 133380672 111398664 105018200 119341176 121885728 156116464 153257520 133769840 132176016 151003232 131349872 114823912 124366232 110067472 125782880 138706032 109501352 118983384 160121472 98014648 131946056 110748600 113757032 124248952 145245440 117152328 150057648 148966176 146701888 143808912 132030576 101423360 97793488 141159456 137432736 119039040 220838816 109982960 150433760 162209232 149546960 214183824 173664112 203774560 189555808 169047216 155974240 143082784 105495624 157155888 167361120 131478936 144212416 195598144 140387216 121424896 185724144 95723144 92533936 168614688 91302408 159605424 171596880 124362280 183262880 118905648 208813344 128680640 146115792 169721584 132658472 128879408 137188000 141345136 132291592 100195392 127006824 138296912 88120576 141627200 140171088 125488296 158060224 148556464 116106312 134874096 124511408 178995312 142351360 151365680 110297112 136640048 127703640 134260912 132633808 130444072 131651784 125412656 132276064 145995088 169154752 133771768 174357040 152239824 165589488 141041024 160225664 153921824 102060240 132725528 148297488 110582384 100124680 142755184 105559048 146521584 143688080 119713320 122704352 120840040 191557456 130950896 122660784 syringol sulfate 65611 154465 296730 294115 53785 99973 145418 129598 159930 114096 19002 115414 67788 76507 80755 99697 47067 70071 36345 30978 116076 27993 165900 56891 65371 48088 83454 67552 28314 71276 42574 81377 25150 22195 103554 138310 61010 53701 134883 54221 78487 50661 50722 23654 80755 84093 159137 48986 69357 57222 86922 729603 136194 111961 116897 92205 58684 114430 26255 33198 280621 88148 53492 425707 387978 24927 159656 42917 29714 127430 161623 55830 46106 346314 59669 39484 39168 283451 153951 34726 248430 431238 377469 226116 115703 290601 94754 57598 51931 20944 175455 95699 31772 56968 384708 27714 482674 33575 318469 111975 32326 64472 471479 36253 145344 203976 264018 327933 77255 25315 16586 417693 tartronate (hydroxymalonate) 68209 418341 249848 128644 190822 168283 192324 585242 434785 399804 403152 292502 332314 104878 176863 471515 433664 162608 131161 346480 705047 170963 575294 334785 76129 370221 284143 227097 1154410 182686 141114 235684 202011 131728 147752 220398 204016 182689 128309 624496 103954 213597 131925 226410 128674 230979 167405 210310 204016 372377 230291 389231 215055 741330 159752 76003 379461 252560 253764 332645 170847 548409 414803 199730 93263 248976 305364 150763 384825 376856 189234 114345 681159 151510 274401 288051 376352 379941 274292 323947 491400 245206 65408 154445 237997 98469 358466 58659 729606 78055 204178 199512 335600 104278 373985 363828 59843 89578 506406 189697 121753 87102 198454 57265 177153 38761 99636 55971 162635 145332 165515 200844 140952 175193 351541 257097 648968 128494 104645 91739 114576 tauro-beta-muricholate 196053 252680 1925995 335222 383665 199946 45280 425129 72031 119109 165715 173426 78850 163828 72051 65506 300734 104936 65292 219435 415252 98516 174766 1088661 50090 854433 1333787 80868 271036 150764 131632 1020516 27916 1149921 50632 1109214 81572 2202686 433095 267640 186327 67519 165298 143612 21471 357844 543880 947151 27595 186840 591135 106235 68728 41861 122778 90380 1254834 68706 307373 1035278 99414 327822 83546 261310 41635 26776 79381 295455 773550 458476 1228945 517709 54121 190437 22231 129413 72280 991994 263591 156069 781413 609166 202090 600830 84684 519872 780403 142119 95414 667225 24956 156482 25641 186468 71373 181819 646741 39551 278191 217339 318040 735770 117471 43197 360933 79465 1107591 56445 229105 191840 693177 95174 1051116 81319 45950 358961 90863 121053 182403 1346996 1113570 1816529 1397878 571239 721208 53888 302222 128066 106639 489264 1634117 959648 810104 999735 1804059 59391 222127 104991 381113 1036758 294778 198197 773055 93603 654786 104017 651476 1625942 130209 945703 22420 137883 441649 473444 36456 181193 233828 146623 100768 55434 416481 108998 6864588 1052349 1373482 2323961 404541 taurochenodeoxycholate 7056242 13850742 64041444 11884067 5773026 3562248 614549 55099884 709018 338172 301083 810008 2027435 1612409 3090224 2803119 3762139 7930254 1399216 8777481 1890836 1531300 1921867 1791513 18940332 15597167 3117728 15323483 1110021 1030223 810098 5307150 7028515 8141544 608557 8577802 3434441 647077 5267487 273453 376783 52898 12573186 1908040 660365 4807462 1430403 9253171 104220 12954156 4899674 2942453 87745 13886386 4555997 865666 1899207 17259556 5746793 582315 4341895 6253225 274035 686636 526801 4325322 1949511 1691769 21441370 2577421 2877569 545913 1543761 19767226 11179617 1031629 1668347 4092403 1140762 2160661 416741 7869857 1094784 8110024 1563538 367479 555963 3999358 11046851 1980992 178184 1249669 33015476 2118150 6019531 326761 1701070 11095850 5215038 35266952 9666920 8198615 5940148 14138756 6862823 47749672 7244108 8215078 7032448 1255613 3710310 22065576 5096856 766652 2510928 1593101 11121024 3002974 2177529 4451434 4614247 2090109 5232515 11646427 14589138 15416469 4053419 2235730 244305 35908048 409850 2448095 2191281 12250246 23843322 8160982 10314659 4341895 6807382 5219600 1191559 20857278 11395072 4752098 10047325 23204158 7618736 2002503 76314800 6751607 44471964 3208073 18704580 15714318 22906134 12555371 25401456 9160383 14017359 16616880 15181303 1256028 16861048 4543428 16399590 224893 2319467 11440040 11950973 2499060 116847744 1981269 10075318 3853775 7029376 12528911 3359531 3448783 4033161 1171568 377071 4981127 10117435 632650 3593002 4660161 7297676 4858426 7375290 450023 3636363 4076467 41649416 3180005 2520530 28727378 5418505 taurochenodeoxycholic acid 3-sulfate 694588 694881 347521 214819 44213 140712 290114 800000 31159 315075 709631 74543 360086 295014 174561 120729 275209 116194 1570219 474908 74002 258128 187252 67315 101098 493948 249133 190633 180842 235599 208556 63927 74842 979083 420698 1212889 551218 477573 192154 280260 245865 84546 2860144 988300 216062 742604 382160 633595 155111 363252 168844 137990 335503 110235 855116 500737 279192 137032 100006 393345 173623 374257 121637 262812 394141 108670 168876 508359 1047070 1817746 291467 76109 194399 723236 953603 154875 118201 350162 136773 21599 459796 822191 258905 668459 447006 400906 332358 268199 378349 309441 1135910 131391 783801 695693 1054044 583732 120761 861458 503573 915728 1049024 325079 459837 387365 575716 350162 656477 189300 1078699 275210 910299 360200 3585891 916441 697008 291090 566628 1241149 1525738 1017145 23335 187833 238769 2667582 329794 2556121 699031 1091333 7482162 124989 800650 301147 3781631 110156 1514774 2550727 345693 457249 2238529 1051640 1121013 2216913 585901 183442 843353 474014 819095 69800 148529 279137 265070 1354187 168055 161236 1193026 944363 1491925 589887 2956711 165337 224711 80280 505785 238187 213958 183135 88742 161564 501130 503892 313155 307867 1667744 78881 2791752 161206 taurocholate 1793175 4273112 53611700 3633908 3189291 1041667 157846 31191476 405254 182779 538210 1432635 239379 251744 488261 1308792 2991847 499395 2714296 658456 366568 444466 519238 6574938 5688828 1436226 7112843 233106 242705 215606 3438698 6463737 3136041 555400 937025 647391 337190 2286514 88685 24148 8123641 1135108 91915 1321547 106627 6244653 5039854 2869625 772124 24885 3302083 1499621 491349 603638 5985122 1983475 260531 1070809 1598532 83946 144090 139692 1242482 556653 409173 8950316 661004 941650 84165 525819 11043604 3971394 258565 475080 1269254 110456 635025 41659 2305108 583437 9090750 487332 46567 137512 1953987 3312297 606348 77160 229556 13735102 678302 8511927 720766 2135627 1289838 20865130 7950874 4655804 1958791 6321064 8059314 23085186 6272241 3947899 4314432 492829 726304 4601563 748674 309180 658891 537221 4052787 1766950 961761 1452553 1764651 1187698 1019494 3194890 12029919 5510458 850875 1333249 220788 12531171 195601 668659 1058047 2096234 2788805 2142161 3383662 2306086 2645426 1608421 611436 10831037 4077850 1702751 14008269 5298567 6038044 1124722 20801468 4324656 17474756 674851 7265429 7638003 12638754 6140893 7374804 3505808 6007692 8394317 3688068 216597 3393829 1160910 8246713 1242248 4021450 3096915 385199 67354304 852242 7971291 1819555 6660459 8820775 1115678 2007794 1822828 309689 1779797 9359162 381123 699615 1530867 4714531 1327298 2621030 121528 1393485 1530867 70346872 1431969 2509582 13222351 1802789 taurocholenate sulfate 1705646 2015376 971275 1290174 599604 1074186 595810 1137774 791424 514125 1724539 277391 520343 963036 2941435 422289 1271165 819522 423089 919874 1039891 429570 1687999 967334 2161897 1071960 854141 1033964 1369060 1047087 1011337 3567569 561175 710610 405239 1446962 310764 1457647 821295 533250 960038 333802 755336 2564263 772593 1217149 3467343 3140213 915377 3037803 692366 809972 698685 396684 2833661 1840727 484402 1764570 1733737 1784520 385086 1085816 805199 173177 553085 311710 1073606 1202336 1560391 4051222 1980595 450110 704600 593852 451663 672839 2098758 1001126 613502 2840622 416774 1804873 1815215 2093785 4330601 1693130 713732 1649758 734947 848409 2760706 4392939 1396236 807760 1225327 637527 1010408 1551296 848220 2841955 2359366 2812584 4036582 3363833 1564937 1476704 2850532 6234268 1294415 2107679 1432597 859144 11630388 2311055 867884 5402515 2622304 5735967 2557033 3469529 4767370 2540457 5125252 3674153 1302294 1934324 4215365 3573079 1046920 3483269 2625117 8438432 5053185 1075666 372608 1920541 3071724 2204692 2188366 932925 5413573 92468 4120695 3675831 3419972 2760412 1237810 3077350 3677343 3016945 10062795 1063186 10110258 223790 888539 2543161 868806 740419 1782159 1653367 820218 2829501 2075105 3787345 5147195 6005724 2493671 1180767 2258506 3304797 3110640 257421 3140214 2915344 1185593 2862276 8358242 4226127 3703592 2377397 2664008 2176259 3895091 2521974 1149991 1633920 2273647 661521 1503572 479789 2426729 1487601 804450 591727 1788362 1524428 764057 3364261 900522 taurodeoxycholic acid 3-sulfate 121598 133202 188807 232650 52003 84981 104846 26927 71112 30508 46656 57934 92497 32175 130696 128878 224812 243534 237945 42098 109798 94795 159102 229561 213546 82396 92874 143823 260116 75971 287437 300478 87512 157401 44464 87294 64618 83472 302914 146959 117422 109453 149799 104587 22581 37474 92247 31520 291723 104042 21979 126201 123809 362730 46853 180053 126184 507577 701464 353595 200424 151981 324052 139482 1032823 264457 386867 132333 263466 156627 81238 497249 88475 156032 107011 42233 266204 287387 74656 1784700 215193 275398 234976 2787280 520642 26517 537313 39021 253318 62196 537676 198306 504390 439608 657247 675917 783510 29268 105418 440721 124528 54651 1077938 477661 62497 1450491 499113 142208 368103 289280 942720 119924 114450 195785 643350 72581 189001 204103 1065272 411906 417244 339596 30996 57598 266396 24010 80125 41443 90807 37653 884126 200923 144119 169171 31248 taurohyocholate 213863 196479 884080 108061 192787 53413 216557 56853 71407 38128 71424 164976 59034 99811 31154 1034795 227818 637289 86740 109869 65819 35922 127254 384116 29590 47563 137002 61135 60149 306637 156585 54816 74203 213121 305435 42670 264344 44248 190742 392312 104151 51191 70766 122024 355387 221479 162933 91055 126532 40350 147767 199001 172425 76774 101547 70088 152495 780331 122231 159619 28262 270582 91163 186507 137141 74462 40577 230546 230027 472998 71892 42677 68070 327348 61194 48831 122953 141745 200959 93157 58661 29378 369612 39159 229245 59965 555471 277771 1876558 152301 352539 622672 468849 194323 225077 559961 233437 542771 414167 287737 81762 112343 29231 850077 44496 93881 87185 111358 399368 386083 45973 108755 204171 44244 40645 84453 143120 33990 439949 94046 88204 319894 taurolithocholate 3-sulfate 2523161 1478103 481989 397404 83407 597567 279245 269222 49534 381283 2998077 118376 109263 1525343 4795410 284905 109156 642398 414076 639869 358340 64760 449923 283931 5209181 1819725 612912 967556 718004 456627 777921 2249508 396405 527042 302717 140603 269768 315771 865154 73420 44221 33427 794316 529662 935501 1065628 2578468 1799839 935501 895484 314676 426405 556195 434099 608969 160266 2104418 1323939 1551362 235089 548610 309827 122855 1714707 288425 986714 1142467 1686995 3539778 991251 845985 662654 177137 304424 819535 1283385 760735 618691 993233 621663 1515349 2251739 1654894 2124923 1355414 27305 654397 142607 1652281 2001417 3646029 193673 284984 368337 209851 1001932 330495 2460805 598362 1179372 1908034 2371947 545169 2212832 4499673 966423 4125769 2395686 1632778 2701123 357302 1312402 1523287 151125 1071836 887997 3730572 955362 2874277 1057248 744373 2668168 2248323 2338476 3201318 7942793 2018680 728015 134833 974147 5141976 5025134 243046 315931 270513 3477978 168738 2762781 426277 3303095 103482 726595 94040 2889125 332613 1379544 2348172 1996655 291918 4463493 336423 4637692 381636 3038131 1862143 522462 365179 3829860 3191044 742366 4665365 2745617 3563803 2472580 5235855 2025566 481705 1263027 2185842 2400300 3520473 730483 1157700 778932 7759925 5247744 2322824 971948 377181 568765 3194304 1658127 203406 326409 399010 997934 1958235 470941 1275656 212763 1491471 66530 3244975 5291779 943650 2296270 1332023 tauroursodeoxycholate 38391 284371 78749 71951 261570 76023 33689 84605 356585 203826 30221 440264 48025 23505 100628 22106 258214 34449 161796 61717 36002 152023 174411 121220 161775 41908 81239 94135 27714 152662 133126 181509 97665 49319 60513 120868 105559 40321 35305 49647 109849 196775 190325 61122 181397 86115 41869 99949 41471 43254 65465 80276 125881 311171 198580 326599 207898 110255 97665 134949 26156 80435 250427 59001 37913 127049 180713 55066 7343631 462402 48926 63087 92977 76627 184847 272953 101932 118033 94580 150735 155982 193356 30909 185673 117154 931635 65074 24470 170361 126146 78128 60273 45307 52792 166320 95793 202175 24353 tetradecadienedioate (C14:2-DC) 127089 309074 170626 229615 179358 956315 441094 472499 371207 297411 125495 334326 2061622 156438 210987 256091 531858 167371 334180 134797 211275 81105 190031 141539 150748 127137 195553 602657 1209510 120865 549917 334019 287950 421306 173703 120208 306001 1499493 522039 121944 140550 147292 117993 223757 135517 28757 210764 1349904 733715 719631 160677 105759 195389 132423 400109 399422 314386 1193100 612485 174811 653969 805878 354730 256107 392950 477484 625408 494169 271754 225762 813433 1964483 440403 306980 248741 648192 561919 167450 267764 101582 398732 285739 173339 2773186 987326 277748 537857 155800 292967 465792 157795 828039 1477194 195372 505207 367336 1316373 440291 136896 705381 597018 217149 218234 193395 139225 311003 332953 960371 97134 501756 607810 1166127 209927 458230 415060 475226 990336 675899 408573 198280 610862 429153 238632 461485 277536 111760 333221 432001 207643 313013 339782 104131 219784 472118 1337194 297672 196297 167837 363282 1495231 277096 16844 808889 447152 883321 784732 139677 306055 241063 390801 346140 356747 630996 91852 405332 629696 589943 229860 52188 228699 1057683 258096 205017 388230 1477773 183168 402908 594425 101004 412792 tetradecadienoate (14:2) 3800975 19906338 4484877 8448147 7418121 23372566 6774107 19612154 5459130 38990012 32214390 12295786 7026238 21290030 26501938 2228659 2340742 12441853 9798633 5776361 22905776 11130761 9436841 22657074 5264619 8780820 15598671 10593064 11352196 20410186 19090556 7189449 14701909 9709979 14583095 11464232 8560793 30633718 19664196 15881651 20089682 7314617 19117982 4908672 13103341 32287758 39388720 23870968 4462067 7886239 17047238 6345426 5606872 8371268 6295658 3223574 8487841 52830212 13396386 39148944 10515393 11173942 4822592 1349032 5624867 9156947 2277463 14630855 25992046 6900438 26725772 16292429 16583153 18134020 926639 2393048 21836182 20214300 13910859 36883996 16770251 46975548 24684756 14307113 19899714 34548204 41677012 15890792 5994984 2989669 15305137 25589960 27076756 3457290 39021784 5428385 3226322 30031448 14289264 18189290 94238424 14405231 11046145 12297353 13991895 7732998 65896240 11600113 16899410 3017357 6936924 3215646 50924576 2863360 19668006 30202108 88992984 36881168 10954466 23261918 28136048 22708818 12555959 16285763 2903699 8573897 38400792 8271028 1574111 51314732 28287616 22080998 14298438 44618968 30752478 15720344 33676940 15635935 18509382 17283160 14413904 5256934 21530606 16920560 15942587 27806754 6829593 5409828 26291414 10526255 9892595 1627410 25521998 6171136 3314813 7292046 5402220 14897934 16916254 10078533 2811758 27000714 2500878 8520980 25398582 7065157 3252154 12514929 23473884 25717794 14596360 3337331 3671974 14951528 12811885 21285530 30072276 8631457 15876043 7019950 28485794 39027868 27072494 15925324 2732998 32619990 58851124 14857241 10977514 1887845 39875052 35433032 6118608 8839848 4395118 25251048 4402073 39907960 7851094 tetradecanedioate (C14-DC) 610942 1004249 770001 1121187 711605 1813017 913504 1416772 993740 800575 1356589 524943 546474 728645 6651460 629883 589514 1383848 951101 977458 1521315 374747 674567 1191144 691137 439511 593264 552265 599433 1060344 546661 787503 583977 1085344 815524 1838941 885565 2564662 719888 1438709 1225292 779309 790023 617708 742270 681016 3141397 1044109 474264 1185044 739539 586710 536634 767877 666991 888628 556144 9298344 1857882 1696180 532996 578274 423179 524476 625602 526005 521777 1000847 1460966 955577 2808594 699673 909293 1242296 487318 583466 3678980 1318379 709469 844851 1644030 3305728 1421696 1485222 1457709 4668248 10761833 1069698 680915 643508 748019 2859624 2088572 1018890 1459553 455655 670068 1242492 973454 430330 32010034 3085829 580250 1236503 834198 1119516 1654619 880166 1974810 383881 482622 574077 7129974 820221 669234 903524 7680064 2575162 911323 2284563 1931139 1172378 765685 718027 491221 569400 864561 1077912 562562 5239737 896580 1619751 1058431 8055014 589845 912024 997827 1284281 799070 3151683 1149787 564004 1799401 937052 1102547 984904 888391 700644 1065865 1170203 392602 608919 1987284 837151 835015 1321682 690737 1729187 4698140 893929 454814 892065 681182 1151037 4601405 1184833 532958 1676550 1793611 3767761 2745464 538181 593324 758709 538706 840793 1214636 548664 1339280 554015 1584518 1007751 2238151 736397 265234 789512 7415598 679424 795788 428269 1002648 8889280 627268 889414 544067 2997921 575075 897041 558847 tetrahydrocortisol sulfate (1) 35189 178613 60822 150726 474932 94888 58538 57065 48661 34535 91278 102396 28353 142981 43727 144396 29930 161234 166133 63063 40974 68814 54305 58122 110133 31145 70980 38958 42975 61840 79873 49872 117124 152426 51990 252481 46871 139860 467407 178019 667203 67835 1003313 289003 179576 480032 544057 445975 54406 57055 2703035 764918 62689 981519 416122 1483514 279757 791633 568856 150154 609191 184953 126364 87466 605923 715736 394304 112847 796090 2140118 241733 36941 166620 125629 137526 679872 668548 843436 133945 571383 271878 549846 48342 405362 140458 453700 3137607 869187 19660 197452 18948 716025 863717 309688 226636 709308 433141 680345 38005 255729 205042 223147 246236 156565 32461 239448 131554 370362 1363188 193020 75484 54436 541126 112386 662723 390201 45837 240927 626928 156565 221249 81461 49872 37976 61547 105187 104096 threonylphenylalanine 103669 42440 45999 50718 64562 62668 44101 120145 141790 150899 86536 91783 101597 141719 76159 38568 146727 82118 42609 45975 112693 91105 66088 41894 228487 60072 177825 49598 65636 45038 94308 78675 22669 54205 76082 118573 26849 44662 41233 111272 156972 61837 66602 58034 50556 69184 62866 232351 103131 94687 32718 21428 42854 25555 63921 102748 114295 75312 91985 113541 82967 24966 44824 94132 77457 110580 62588 66125 60752 88281 118218 98793 94870 50991 48228 114569 45043 51865 194298 142869 213978 83956 77710 97730 103517 29226 35829 58642 75288 31844 51684 64216 75965 58991 111143 62814 237365 18891 22913 95761 64445 56635 27042 66617 244116 316716 31564 103265 24049 67079 146679 76518 45246 54240 104671 63712 124209 50946 53366 47138 493379 85815 234485 24317 89458 149206 79677 125754 95551 50486 50196 83332 80200 26557 45166 130149 53850 60556 34654 236763 112245 44764 50075 106617 35079 47882 31571 53869 thromboxane B2 928144 200756 2305357 625266 820310 2004963 650803 5780476 1577768 1029626 623795 2358891 309071 1633049 505905 730830 4293803 151272 428889 998471 7324673 3218288 8022326 4487798 2809589 1497507 6965255 392140 2007853 1043081 4829431 463362 315965 271306 712464 2336834 457271 2708378 1463745 754484 821890 759673 970215 462956 593376 1313908 372129 1620255 493112 4653815 605035 494341 742849 1350179 1140824 1089816 677907 767958 1422075 2001924 206226 670897 3357534 3030932 4160463 572361 531161 407807 1378852 568432 650507 1776474 1895549 469607 1847238 922456 1028553 155862 962588 6131811 572914 5477029 576711 376557 908423 766119 236710 3783598 1006343 1693991 885338 678066 6193812 1221537 2688130 914982 898832 1774827 90223 288454 2315549 528062 179895 840756 166502 576203 177734 780841 131829 1088737 482035 1614275 468605 247318 248415 94761 878629 1996059 1342838 1964940 353747 648831 3211209 363304 2086413 266309 442724 147666 2819379 142892 977879 341006 1792667 268860 1814315 844107 1203445 672545 256400 699845 607770 280084 383399 125893 511413 824065 2039224 157450 2387570 553116 678990 718636 1648946 3785073 137072 155267 180379 1144647 173718 1343852 413676 315882 899608 784354 493146 734258 3614398 178260 706482 270794 249345 78474 2093206 300252 397290 1885515 507443 1621550 2755976 667996 729302 201979 5156617 575060 594108 635683 1569200 788361 706590 6433806 952680 160329 thymol sulfate 26546 343289 496503 4460122 125504 476822 824148 122351 219282 280225 125371 84398 1720200 192018 45748 61152 499331 1467049 53970 65168 152539 96452 194552 840114 91396 153285 981683 500247 221962 182470 148168 35162 188492 327689 252001 270706 36802 74321 458000 131617 132843 311288 155691 35690 170943 141469 258191 419121 304994 237273 276677 96951 224480 391314 689309 80602 179094 273337 503971 43271 90411 38590 96281 2019685 52562 336352 54800 291478 68771 635535 83298 1114028 97589 599946 130009 181827 43978 99107 318480 265924 181393 458070 47430 118843 79963 439108 384137 167502 278593 181610 30818 60213 224072 91580 382750 104269 321996 369626 73476 45214 240060 480967 134204 130496 568146 345968 87088 181083 thyroxine 283715 180587 297120 419693 335857 144072 308279 491336 129175 519186 277794 312648 236100 388759 457579 225962 310245 277006 341698 160716 269631 295092 280293 388980 221207 348869 363627 311508 331817 442610 221795 224740 256570 304830 333832 307357 377353 187828 264545 309406 220621 337014 393324 427018 413217 282708 347892 276378 402158 267285 220477 349485 354558 356367 270590 319400 330037 240053 388233 393584 120297 193295 291491 310585 197683 231079 269765 317237 290722 320542 396456 220920 291045 284521 203020 366222 340710 382191 337862 248116 410383 265171 365664 403432 376363 451552 267331 262175 268517 346225 362749 259029 329537 457044 272689 395618 359350 400343 409444 389446 373450 370721 350215 206293 275425 389938 260941 372194 239103 241457 229085 435256 284272 305878 413784 405611 369901 201006 196711 305922 210764 367144 309546 226858 376697 256448 274369 289306 437780 373841 248054 358316 336707 242864 258968 349244 330553 313648 305966 356673 263006 224200 290015 282147 398363 269865 313964 464976 354327 273171 279672 238630 201207 276970 243614 188286 242986 183096 226641 319586 227184 240168 206465 263310 193976 216903 243349 308976 380912 204379 309443 234937 355297 268944 303739 365197 308469 368466 329689 371083 401758 319789 275622 252466 298655 492571 220479 320198 239076 305661 484445 385511 427709 230389 391751 279994 331703 258370 tridecenedioate (C13:1-DC) 6356412 13914707 3830196 11211909 5769862 39335216 4536749 17545754 3007642 23309614 11300486 6577039 3312291 8681763 23314738 3742281 1479363 10916805 6333930 3968991 15593030 4472707 4441536 17015650 3963899 4642853 1874396 1557363 17086682 14876330 13952732 10237948 2056232 9811229 3678717 9212042 1258365 19988118 2418906 4896179 8340468 3320003 6125877 3548629 8595653 12068090 36259480 11675072 3988398 5487203 3373024 1086039 6958430 10924796 12025494 3216994 7797339 31888298 14336474 18532784 2716958 2927122 1118963 489376 5691607 2066016 4099552 3773592 14342938 7843048 19035930 10818720 5054723 8317624 404986 1716033 16006973 18677408 11017404 10260180 8712856 7829984 6650045 20678266 13380132 27071796 14142880 3778958 1849950 3298274 5532704 11068026 12059693 5495197 22335516 10418773 2301853 15628657 8083191 5791037 107708456 15671756 10294283 11484998 3775202 12752630 19614794 4944811 29021654 1790276 3379682 867569 15169849 3936197 22872430 3084567 31041322 13010890 6157951 18410116 10175114 7862796 3896038 7488055 4714874 8855200 11395776 7124512 1449344 31765290 9976184 13203023 18036064 29730436 9105020 6772407 6268102 11022278 14624116 10030919 7082541 2350386 10023832 3804537 9154925 8782113 12178308 7391838 12674610 7988178 6381725 1331683 11266412 4552268 7383498 11991387 3447992 6451687 13119096 3056184 758303 3703091 4316254 6333849 10438146 10758432 3046766 4101717 8308696 27027872 13824001 3125605 2681535 5455202 14828597 10843071 12801646 18159980 23682848 3360905 7875694 9739500 8780765 5428697 2068181 8762892 8632496 2872116 2473069 1642508 9383258 35374064 5337299 7375821 332021 8861652 1679009 1180680 4167530 tyramine O-sulfate 50135 81308 440680 108335 204727 3058134 161148 100611 257406 109426 955407 1348492 424717 218117 258165 33875 23447 22890 700643 140710 953368 198787 218429 76343 65979 46867 52129 88267 61049 86408 2053948 279374 204065 126019 55678 250365 228874 32843 58370 184969 26237 70560 129702 268111 153318 274084 26279 190102 77746 68360 61606 42112 51865 29934 233132 89001 94711 98791 279040 22545 79795 313415 68089 54194 32438 132091 81381 112757 38485 26551 228447 110793 29994 436358 83553 307201 25197 23880 106400 73482 31804 44611 275031 935946 330121 73713 175090 60739 34264 681047 153539 85359 283095 66201 156367 147338 34133 79939 536119 123976 25077 177221 60823 39747 61032 21333 282378 271956 90632 85056 35518 125518 2813721 72505 30562240 70439 40837 173920 243358 155504 1959690 213080 1671842 27662 220547 300673 174755 66439 48815 134862 961970 20952 52821 124232 236207 110770 2784937 69957 33163 111896 73765 133106 338241 105957 71679 1673667 140800 806599 168339 146130 396068 224099 696938 189702 264896 61434 144914 66727 111228 28889 46440 25375 156902 23706 21091 553535 121801 146259 86599 312648 113618 448433 undecanedioate (C11-DC) 1685130 19997354 9662488 29001372 14753322 12303196 19353292 13535848 13600060 3432792 11712946 22025564 8687523 3969869 25410352 14293577 8163170 3851418 15804276 23234808 7045096 7458925 6710058 12883225 4738468 5412228 8514094 11297353 4862728 3576040 4643328 28392026 11904045 15265521 1161471 2148012 3795333 14640789 15938144 6542989 10853121 6292553 11912155 7405027 17063936 10459002 26335180 23785662 15378737 5233562 4878077 30418534 654032 1829730 205256 1332907 2180714 2762045 2283697 2096735 2315130 16146473 8966257 7782347 16424946 7756449 1222341 12826586 6506384 8983000 1871398 1408382 5285849 4600928 858369 6736679 8696757 1479607 1606528 9812687 34965 223061 30996 13742 131485 19580 34646 185556 163787 15924311 19097674 1085416 27288384 10215804 1896182 6768196 2465595 2450317 3957635 1260644 456266 3602242 194174 19090 200471 34051 199583 1935832 147686 83100 56057 165600 14952 55088 132241 170448 155443 99555 170529 157936 147525 182511 103603 147690 158834 87638 184761 186100 100931 117698 140422 20094 29409 166608 160348 24631 123447 25127 152780 143396 75769 81585 168580 259246 105507 130708 168810 17927 21715 151990 25738 20747 30261 19937 224716 21175 33721 195224 143076 24988 176844 200309 180192 32109 185182 85114 141755 332252 92471 189345 16291 137962 15540 136805 24811 30090 155474 144499 42877 29968 150784 11773491 178988 354560 150341 139876 26783 118158 108424 102142 urate 104588520 98898760 89502504 119438728 117956824 136614976 133527672 85969304 102282136 104411696 100583472 120398328 119972064 99707088 178962816 89352896 112344784 80482176 91329912 95286576 114824720 108577224 104092704 121190264 149061888 142643536 161320288 91307952 88713024 94304304 148542768 112550728 86847576 96448312 68863744 109300152 78657696 133647424 158060496 94282136 97284296 112986920 82124760 111055872 95540832 56788880 108180544 109043840 105534496 142237376 87881808 88143824 117594128 108050304 121624776 112832816 91092040 131188880 130200424 154932224 124104712 115474512 104147136 137338288 109418896 63739376 88655568 123492288 170388400 113087920 99291624 121945944 115958256 120278072 88641960 107142144 151777664 117418760 121264304 101237816 88293736 107715280 70018944 78974728 113015936 141074736 163007776 129835680 138601760 104311848 112490704 77719424 77225096 121174224 162931824 102219864 111972864 120934872 113652840 121678288 140734288 98946280 109011904 129977328 99607520 123908416 111991752 107817240 126107240 108146112 108378256 92249976 140641760 116627672 116505600 74714432 99595744 111666720 111483752 117846824 84067168 97930200 103532424 80218800 114223872 178940160 139086656 77503536 87948832 110178000 118742016 106288328 114319728 116045400 40034468 107993904 63322296 106278768 139012032 93561656 129609040 83040704 153544512 114615104 111588976 53895516 62985024 120132152 128845848 167792896 155146736 126360976 91185600 59697820 125892120 116594016 82004752 136195296 136671280 102255992 111607056 93143736 79657960 141458864 115102472 99653568 67541440 105152664 128440472 95619976 110112432 110872912 96940680 106267024 119336216 91202832 120530280 113274576 149516304 86001368 132269600 107372184 112219008 81311352 70630624 71429504 112018568 99013000 124893864 125320184 117011872 171557936 130838784 127444144 84354472 112309072 115046792 90764864 119747584 uridine 53292640 37408148 52009500 38339464 49487400 44859676 42673856 50640976 42777412 40417536 47496516 35645888 35436428 43411480 54266540 35601552 38227000 32580642 37667532 30687440 34925992 52698012 45144076 52273580 34387216 40608924 42324912 46659436 39006016 33463134 36232704 49290152 51986484 41844220 35935836 44953108 37214976 43321952 30733846 34431204 49868660 38116008 51451052 35849256 44881796 57686016 57009908 41422376 42181024 53223892 53484088 49446940 41559356 44178980 25901680 41398740 41425972 53752628 43038440 42720832 42337144 40176112 38099268 42662720 40245004 46805596 37144696 39076720 42002304 47827100 48212600 35933056 36987732 39804904 39693864 41657760 42910772 44220752 46107420 40391736 51244716 43487244 42186964 39277492 46256096 45385672 40166520 37651620 53227632 44775940 42191460 35008484 42221136 46547336 43437032 37663380 50265328 41092528 46048480 24977862 38012044 57149284 42400972 27296528 28268118 28377696 30296938 29843422 31469344 39326020 29124814 26718288 36094296 24707488 35302932 21507064 32814964 25496766 22499076 30810798 26804222 40663544 37125700 34532244 22247792 40504748 27726642 39710640 22900686 29275948 30236416 30814938 44338160 19765238 35827488 33717120 32216906 25803978 46618584 27891422 27267072 31623292 36684764 22752934 20813706 37021412 35512172 37447752 33633404 30420658 39487916 44716672 34184992 30006408 28081540 40768772 26266246 41094256 51340568 24050016 46163268 35456224 22686044 22040638 39303568 25518430 37995304 27747100 38973336 29124116 24868310 32980206 36888992 32753182 35669984 23623194 24886508 34062816 37087856 42114552 39706084 31094154 32186624 37628896 42008284 39248736 31872138 35017832 34487140 45392008 35973332 45513280 24840660 28782644 37683684 34024128 39723288 45944068 26246882 valerate (5:0) 446786 1019095 645508 1314316 1274300 895350 1468672 1186161 954672 310604 730776 1005637 993442 1389612 1079325 979782 718990 502780 3126533 1346002 751327 771553 969122 804979 787629 908552 1276950 1141138 790570 458064 550438 2532619 1382124 1676883 1212148 1212208 492202 1016861 586356 623781 1650234 862876 763799 932471 951031 3787468 1327058 1309443 1276777 1104687 1066579 715074 425043 951558 529899 745977 1004536 1391665 967815 836608 1419398 830266 1368913 1829313 2852599 765452 636811 1002626 822577 684585 552213 474848 383182 555269 701958 576915 633157 855124 743773 1031009 880002 900764 466584 1228976 788534 581110 549431 769615 1191173 1191826 669885 1457471 888142 707106 650708 861562 820424 978434 709019 652430 1144859 601937 1691961 1531260 1507929 1315599 886724 1380332 1023413 1156686 1993782 486722 1360090 1127048 1429451 1249881 1481171 1123811 1300373 826956 1530002 1782205 827328 2799740 2679091 878347 1332361 1921575 728307 1532015 1044127 2330307 787182 1160185 1161655 1662377 854298 2034422 1380819 1175113 1434418 1533898 860304 808833 1012320 1208870 938958 688779 1711176 1021217 1290668 1202843 852173 2968418 394499 1332090 1690690 1750750 1698158 783203 1625540 2038198 2223877 1843360 5245244 1027323 1055353 739451 1258269 2329956 1486504 1103005 1821638 1452468 998343 916929 1243007 1240546 1180833 795447 897610 1702178 1087705 1626246 2311058 903751 1749645 1740284 893430 1417982 1405946 1745893 1107437 713223 1849325 1234609 1338306 1306619 valylglycine 201149 367245 168586 152130 271686 396028 366273 350717 409692 821091 920567 186821 477130 303352 193292 107497 123551 74795 693211 584310 266195 468261 474278 569362 815018 552588 2357417 872805 1501280 389729 472266 199932 216758 180625 269761 376853 619709 131786 146767 256449 629744 574520 93727 163306 153257 157498 283065 640287 728648 624479 698248 426530 294763 382307 720989 350598 340433 1053092 957872 921131 558507 657462 473843 734003 477467 485241 1026158 1482883 738115 381455 362572 627541 517210 643789 1031434 911251 598101 633715 784572 438295 351609 435711 895408 1246740 543975 358185 123612 107219 58235 227934 353334 408667 314862 410092 313396 409292 788440 344040 429572 264558 106501 71966 223590 372661 348115 389943 426112 1748451 1698710 131884 597207 214429 541565 1330410 559249 163457 461430 318363 594878 251389 161439 910336 446363 1557435 1665621 250606 208199 578918 611889 760779 36933 443104 598214 281104 133419 467816 357908 204898 355381 852287 290130 344925 124030 972380 355258 405846 76441 357187 510254 762969 720712 473427 vanillactate 222958 126622 147385 193621 346994 229942 140263 202516 153212 161159 162617 180747 223670 224081 492081 98969 240792 106369 154612 127685 200861 163176 124899 187825 156354 263661 430705 142975 154739 186784 148356 146047 338573 160030 181199 243119 145774 144515 253356 103914 162599 148576 117758 168035 102098 99798 190536 180334 122920 236115 290282 138327 128421 98522 129493 127898 104079 270994 170455 227903 199819 161734 96016 168626 235434 91631 145883 205366 147167 226683 228252 134780 169522 152666 136354 202479 234137 191350 156967 147291 172386 132086 201654 163161 195155 154213 415370 107649 107546 83712 133728 165386 142948 198727 176125 229856 177158 112246 94100 357132 298865 285118 245595 234849 157738 117403 176064 188658 387719 137356 175174 165912 463402 136288 124423 227217 140685 279397 271566 286666 260808 173806 126863 196910 125829 245042 445166 264960 169016 474479 197752 212447 847709 264306 167478 187187 146530 137051 440006 320871 268771 204114 374538 198202 120993 108686 132313 205352 163580 425063 293747 124136 153882 111198 188695 165309 135569 183108 327338 237170 168252 217130 109341 324556 393133 203291 132852 329511 118560 244655 599287 142148 194296 161141 191413 179329 292307 222362 161160 158376 206459 129453 231825 172855 129207 164974 426489 144338 120941 243717 196192 254111 199732 144458 196814 228804 219206 107893 142565 vanillylmandelate (VMA) 203921 219960 338931 288933 353412 222245 249168 250096 186723 240079 174829 284222 228323 263133 236842 199521 325098 248924 299121 339315 309021 134300 167402 209983 138580 224142 224543 267316 292028 261610 220661 357572 485746 336507 367598 224127 235895 164995 247319 190559 239647 239183 143764 241516 317018 160081 301243 258401 248042 157597 319820 162193 238434 300574 252371 208818 215988 160088 324634 246781 194997 107498 248721 168080 306355 58157 192906 218482 255482 288767 423308 300935 149946 231031 225989 174977 297026 261589 241617 202045 185805 143800 242734 222368 306095 247705 335223 251296 195676 233308 137082 285791 331402 190642 183477 330824 305577 184036 211768 319063 317671 375143 332585 336031 239914 254369 209736 201815 404305 211183 259381 185074 571754 206621 240767 269407 209504 510594 273904 391700 258964 186196 215211 265340 157554 237611 265894 245120 479270 272348 146039 359100 466843 440542 406755 214461 238372 187873 154171 245087 367648 334033 422944 336438 311559 250877 275369 288671 162832 139181 326187 119893 200279 196415 231702 151218 295836 190761 243902 325266 166497 150828 346855 375529 269914 168411 129694 353339 202578 260686 416066 338237 146846 223247 333572 199994 233516 288918 264271 140770 454095 162035 277615 241657 268948 172317 179609 328174 219976 337475 154548 105374 259334 168607 269767 140711 273521 252791 167126 xanthosine 143504 90225 45055 92131 72697 69538 53947 116252 28807 58703 32946 31828 25369 41480 41442 21736 46926 72680 16525 110250 155918 32033 23895 78439 34972 40498 32375 125255 36774 46099 21359 73608 147227 44364 96748 25558 55360 113828 77891 23857 83212 27895 32727 81857 55489 80398 46411 114249 62288 23334 49649 42654 38614 64148 38997 25958 79309 30117 21742 74237 83297 41036 46467 24296 56768 40896 63546 26744 28602 26493 33223 24619 96048 33522 22661 28877 32072 128132 65545 59777 33611 126971 45724 34817 59002 27857 34950 66636 48959 61398 34720 26413 22694 52821 49752 49156 27028 22599 48128 26691 45847 23825 37222 57706 30848 88788 53158 27609 41327 39966 30991 17885 20982 27448 67786 29896 24265 28696 21910 66849 50440 32727 33283 40756 29659 17117 68956 31773 27315 29136 29626 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name SUPER_PATHWAY PATHWAY_SORTORDER SUB_PATHWAY COMP_ID PLATFORM CHEMICAL_ID Retention Index MASS CAS PUBCHEM CHEMSPIDER KEGG HMDB (2,4 or 2,5)-dimethylphenol sulfate Xenobiotics 4500 Food Component/Plant 62533 LC/MS Neg 100020519 3474 201.0227 1,2,3-benzenetriol sulfate (2) Xenobiotics 5106 Chemical 48762 LC/MS Neg 100006374 1709 204.98123 1,5-anhydroglucitol (1,5-AG) Carbohydrate 1012 Glycolysis, Gluconeogenesis, and Pyruvate Metabolism 20675 LC/MS Neg 100000580 802 163.06119 154-58-5 64960 C07326 HMDB02712 1,7-dimethylurate Xenobiotics 4001 Xanthine Metabolism 34400 LC/MS Neg 100001399 1578.6 195.05236 33868-03-0 91611 82720 C16356 HMDB11103 1-carboxyethylisoleucine Amino Acid 307 Leucine, Isoleucine and Valine Metabolism 62558 LC/MS Neg 100020427 2628 202.10848 1-carboxyethylleucine Amino Acid 270 Leucine, Isoleucine and Valine Metabolism 62559 LC/MS Neg 100020425 2663 202.10848 1-carboxyethylphenylalanine Amino Acid 126 Phenylalanine Metabolism 62566 LC/MS Neg 100020419 2844 236.09283 19276386 1-carboxyethyltyrosine Amino Acid 143 Tyrosine Metabolism 62564 LC/MS Neg 100020421 1846 252.08774 1-carboxyethylvaline Amino Acid 330 Leucine, Isoleucine and Valine Metabolism 62562 LC/MS Neg 100020423 2008 188.09283 1-hydroxy-2-naphthalenecarboxylate Xenobiotics 4936 Drug - Other 38140 LC/MS Neg 100002394 3930 187.04006 86-48-6 6844 6583 C03203 1-linoleoyl-GPG (18:2) Lipid 2325 Lysophospholipid 54885 LC/MS Neg 100009227 5516 507.27284 1-palmitoyl-GPG (16:0) Lipid 2319 Lysophospholipid 45970 LC/MS Neg 100005717 5570 483.27284 3300276 2548639 1-stearoyl-GPG (18:0) Lipid 2321 Lysophospholipid 34437 LC/MS Neg 100001462 5816 511.30414 21403138 10-heptadecenoate (17:1n7) Lipid 1282 Long Chain Fatty Acid 33971 LC/MS Neg 100001278 5555 267.23295 29743-97-3 5312435 4471860 HMDB60038 10-undecenoate (11:1n1) Lipid 1269 Medium Chain Fatty Acid 32497 LC/MS Neg 100001197 5085.8 183.13905 1333-28-4 14891 10771160 C13910 HMDB33724 12,13-DiHOME Lipid 1695 Fatty Acid, Dihydroxy 38395 LC/MS Neg 62 5137 313.23843 263399-35-5 10236635 8412123 C14829 HMDB04705 12-HETE Lipid 1783 Eicosanoid 37536 LC/MS Neg 100002167 5326 319.22786 71030-37-0;73837-14-6 5312983 21509475 HMDB06111 12-HHTrE Lipid 1789 Eicosanoid 57393 LC/MS Neg 1261 5175 279.19657 54397-84-1 5283141 4446265 C20388 HMDB12535 13-HODE + 9-HODE Lipid 1676 Fatty Acid, Monohydroxy 37752 LC/MS Neg 100002196 5275 295.22825 43013 14-HDoHE/17-HDoHE Lipid 1716 Fatty Acid, Monohydroxy 53034 LC/MS Neg 100009278 5296 343.22786 16a-hydroxy DHEA 3-sulfate Lipid 2883 Androgenic Steroids 38168 LC/MS Neg 100002126 4240 383.15338 2'-deoxyuridine Nucleotide 3705 Pyrimidine Metabolism, Uracil containing 1412 LC/MS Neg 536 1586 111.01997 951-78-0 13712 13118 C00526 HMDB00012 2'-O-methyluridine Nucleotide 3693 Pyrimidine Metabolism, Uracil containing 57655 LC/MS Neg 100010896 1831 257.07791 2140-76-3 102212 92343 2,3-dihydroxy-2-methylbutyrate Amino Acid 338 Leucine, Isoleucine and Valine Metabolism 57547 LC/MS Neg 100010869 787 133.05063 14868-24-7 301941 266858 HMDB29576 2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA) Amino Acid 354 Methionine, Cysteine, SAM and Taurine Metabolism 62805 LC/MS Neg 100020893 1156 177.0227 2,6-dihydroxybenzoic acid Xenobiotics 4907 Drug - Topical Agents 63042 LC/MS Neg 100020837 2575 153.01933 303-07-1 9338 8974 HMDB13676 2-aminoadipate Amino Acid 109 Lysine Metabolism 6146 LC/MS Neg 381 639.2 160.06153 542-32-5;1118-90-7 469 456 C00956 HMDB00510 2-aminophenol sulfate Xenobiotics 5006 Chemical 43266 LC/MS Neg 100004322 1677 188.0023 181670 158022 HMDB61116 2-ethylphenylsulfate Xenobiotics 3950 Benzoate Metabolism 36847 LC/MS Neg 100001809 3416 201.0227 2-hydroxy-3-methylvalerate Amino Acid 333 Leucine, Isoleucine and Valine Metabolism 36746 LC/MS Neg 100001541 1800 131.07136 488-15-3 164623 144317 HMDB00317 2-hydroxyacetaminophen sulfate Xenobiotics 4568 Drug - Analgesics, Anesthetics 33173 LC/MS Neg 100001791 1674 246.00778 86290013 34448632 2-hydroxybehenate Lipid 1647 Fatty Acid, Monohydroxy 57663 LC/MS Neg 100015637 6384 355.32177 193484 167899 2-hydroxydecanoate Lipid 1640 Fatty Acid, Monohydroxy 42489 LC/MS Neg 100004089 4840 187.13396 5393-81-7 21488 20195 2-hydroxyfluorene sulfate Xenobiotics 4024 Tobacco Metabolite 62528 LC/MS Neg 100020585 4372 261.0227 2-hydroxynervonate Lipid 1649 Fatty Acid, Monohydroxy 61698 LC/MS Neg 100015638 6345 381.33742 5312783 4472208 2-hydroxyoctanoate Lipid 1639 Fatty Acid, Monohydroxy 22036 LC/MS Neg 100000743 3736.8 159.10266 617-73-2 94180 84994 HMDB02264 2-hydroxypalmitate Lipid 1643 Fatty Acid, Monohydroxy 35675 LC/MS Neg 100001579 5511.2 271.22786 764-67-0 92836 83805 HMDB31057 2-hydroxystearate Lipid 1645 Fatty Acid, Monohydroxy 17945 LC/MS Neg 1239 5695 299.25917 629-22-1 69417 62625 C03045 2-methoxyacetaminophen glucuronide Xenobiotics 4570 Drug - Analgesics, Anesthetics 33161 LC/MS Neg 100001795 1633 356.0987 14367271 52083351 2-methoxyacetaminophen sulfate Xenobiotics 4569 Drug - Analgesics, Anesthetics 47031 LC/MS Neg 100001793 1949 260.02343 86290014 34448633 2-methoxyresorcinol sulfate Xenobiotics 5108 Chemical 48445 LC/MS Neg 100006184 1863 218.99688 1446269-78-8 2-methylcitrate/homocitrate Energy 1240 TCA Cycle 52282 LC/MS Neg 100008929 575 205.03538 2-naphthol sulfate Xenobiotics 5069 Chemical 62520 LC/MS Neg 100020515 3658 223.00705 74428 67020 21-hydroxypregnenolone disulfate Lipid 2812 Pregnenolone Steroids 46115 LC/MS Neg 100001999 3935 245.06711 1164-98-3 134595 118625 3-(3-amino-3-carboxypropyl)uridine Nucleotide 3713 Pyrimidine Metabolism, Uracil containing 62924 LC/MS Neg 100001426 1369 344.10993 52745-94-5 171198 149669 3-(3-hydroxyphenyl)propionate Xenobiotics 3990 Benzoate Metabolism 35635 LC/MS Neg 100001624 1980 165.05571 621-54-5 91 89 C11457 HMDB00375 3-(4-hydroxyphenyl)lactate Amino Acid 154 Tyrosine Metabolism 32197 LC/MS Neg 240 1379 181.05063 6482-98-0 9378 9010 C03672 HMDB00755 3-(methylthio)acetaminophen sulfate Xenobiotics 4575 Drug - Analgesics, Anesthetics 62567 LC/MS Neg 100020827 2265 276.00059 3-(N-acetyl-L-cystein-S-yl) acetaminophen Xenobiotics 4565 Drug - Analgesics, Anesthetics 45721 LC/MS Neg 2048 2094 311.07072 52372-86-8 83967 75765 3-acetylphenol sulfate Xenobiotics 5004 Chemical 48693 LC/MS Neg 100004326 2477 215.00196 16230535 3-carboxy-4-methyl-5-pentyl-2-furanpropionate (3-CMPFP) Lipid 1456 Fatty Acid, Dicarboxylate 61871 LC/MS Neg 100020004 4000 267.12379 194501 168762 3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF) Lipid 1454 Fatty Acid, Dicarboxylate 31787 LC/MS Neg 100001178 2800 239.09249 86879-39-2 123979 110498 HMDB61112 3-hydroxy-2-ethylpropionate Amino Acid 317 Leucine, Isoleucine and Valine Metabolism 32397 LC/MS Neg 100001170 975 117.05571 4374-62-3 188979 164207 HMDB00396 3-hydroxydecanoate Lipid 1655 Fatty Acid, Monohydroxy 22053 LC/MS Neg 100000997 4634.7 187.13396 5561-87-5 26612 24790 HMDB02203 3-hydroxydodecanedioate Lipid 1439 Fatty Acid, Dicarboxylate 62915 LC/MS Neg 100001454 2252 245.13944 34574-69-1 16663321 13628081 HMDB00413 3-hydroxyhexanoate Lipid 1652 Fatty Acid, Monohydroxy 53230 LC/MS Neg 100006367 1725 131.07136 10191-24-9 151492 133518 3-hydroxyhippurate Xenobiotics 3907 Benzoate Metabolism 39600 LC/MS Neg 100002122 1687 194.04588 1637-75-8 450268 396603 HMDB06116 3-hydroxylaurate Lipid 1657 Fatty Acid, Monohydroxy 32457 LC/MS Neg 100001112 5175 215.16526 53941-38-1 94216 85026 HMDB00387 3-hydroxyoctanoate Lipid 1653 Fatty Acid, Monohydroxy 22001 LC/MS Neg 100000773 3446 159.10266 88930-08-9 26613 24791 HMDB01954 3-hydroxyoleate Lipid 1661 Fatty Acid, Monohydroxy 61843 LC/MS Neg 100019966 5508 297.24351 3-hydroxypyridine sulfate Xenobiotics 5109 Chemical 48448 LC/MS Neg 100006098 1595.5 173.98665 1955-23-3 16232314 3-indoxyl sulfate Amino Acid 261 Tryptophan Metabolism 27672 LC/MS Neg 100000467 2222.2 212.0023 2642-37-7 10258 9840 HMDB00682 3-methoxycatechol sulfate (1) Xenobiotics 3967 Benzoate Metabolism 48763 LC/MS Neg 100006375 2163 218.99688 3-methoxytyramine sulfate Amino Acid 174 Tyrosine Metabolism 44618 LC/MS Neg 100004634 1722 246.04416 21233674 3-methyl catechol sulfate (1) Xenobiotics 3937 Benzoate Metabolism 46165 LC/MS Neg 100004112 2790 203.00196 3-methyl-2-oxobutyrate Amino Acid 332 Leucine, Isoleucine and Valine Metabolism 44526 LC/MS Neg 100000936 1465 115.04006 3715-29-5 49 48 C00141 HMDB00019 3-methyl-2-oxovalerate Amino Acid 308 Leucine, Isoleucine and Valine Metabolism 15676 LC/MS Neg 100000036 2064.2 129.05572 1460-34-0;51829-07-3 47 46 C00671 HMDB03736 3-phenylpropionate (hydrocinnamate) Xenobiotics 3992 Benzoate Metabolism 15749 LC/MS Neg 100000010 2860 149.0608 501-52-0 107 10181339 C05629 HMDB00764 3b-hydroxy-5-cholenoic acid Lipid 3022 Secondary Bile Acid Metabolism 43507 LC/MS Neg 100004182 5205 373.27482 5255-17-4 92997 83950 HMDB00308 3beta,7alpha-dihydroxy-5-cholestenoate Lipid 2768 Sterol 36803 LC/MS Neg 100001611 5275 431.31668 115538-84-6 3081084 2338764 C17335 3beta-hydroxy-5-cholestenoate Lipid 2769 Sterol 54805 LC/MS Neg 100006370 5398 415.32177 6561-58-6 165511 C17333 4-acetamidobutanoate Amino Acid 446 Polyamine Metabolism 1558 LC/MS Neg 1113 894 144.06661 3025-96-5 18189 17180 C02946 HMDB03681 4-acetamidophenol Xenobiotics 4564 Drug - Analgesics, Anesthetics 12032 LC/MS Neg 1383 2173.7 150.05605 103-90-2 1983 1906 C06804 HMDB01859 4-acetamidophenylglucuronide Xenobiotics 4567 Drug - Analgesics, Anesthetics 15736 LC/MS Neg 100000043 1400 326.08814 120595-80-4 83944 3239926 HMDB10316 4-acetaminophen sulfate Xenobiotics 4566 Drug - Analgesics, Anesthetics 37475 LC/MS Neg 2049 1792 230.01287 10066-90-7;32113-41-0 83939 75741 C06804 HMDB59911 4-acetylphenol sulfate Xenobiotics 3949 Benzoate Metabolism 44620 LC/MS Neg 100000711 2375 215.00196 4684006 3872009 4-allylphenol sulfate Xenobiotics 4391 Food Component/Plant 37181 LC/MS Neg 100001868 3805 213.0227 4-ethylphenylsulfate Xenobiotics 3953 Benzoate Metabolism 36099 LC/MS Neg 100001756 3580 201.0227 123-07-9 C13637 HMDB62551 4-hydroxycoumarin Xenobiotics 4742 Drug - Cardiovascular 37445 LC/MS Neg 100002049 2470 161.02441 1076-38-6 54682930 10254753 C20414 4-hydroxyhippurate Xenobiotics 3909 Benzoate Metabolism 35527 LC/MS Neg 100001423 1475 194.04588 2482-25-9 151012 133104 HMDB13678 4-hydroxyphenylacetate Amino Acid 138 Phenylalanine Metabolism 541 LC/MS Neg 144 1361 151.04007 156-38-7 127 3881560 C00642 HMDB00020 4-hydroxyphenylacetylglutamine Peptide 985 Acetylated Peptides 55017 LC/MS Neg 100010850 1650 279.09864 4-hydroxyphenylpyruvate Amino Acid 151 Tyrosine Metabolism 1669 LC/MS Neg 1141 1690 179.03498 156-39-8 979 954 C01179 HMDB00707 4-methyl-2-oxopentanoate Amino Acid 272 Leucine, Isoleucine and Valine Metabolism 22116 LC/MS Neg 100000551 2170 129.05571 816-66-0 70 69 C00233 HMDB00695 4-methylcatechol sulfate Xenobiotics 3940 Benzoate Metabolism 46146 LC/MS Neg 100004111 2665 203.00196 4-methylguaiacol sulfate Xenobiotics 3935 Benzoate Metabolism 48418 LC/MS Neg 100006105 2978 217.01761 756760-43-7 4-vinylguaiacol sulfate Xenobiotics 4419 Food Component/Plant 48442 LC/MS Neg 100006126 3354 229.01761 4-vinylphenol sulfate Xenobiotics 3955 Benzoate Metabolism 36098 LC/MS Neg 100001755 3320 199.00705 2628-17-3 6426766 4932200 C05627 HMDB62775 5,6-dihydrothymine Nucleotide 3743 Pyrimidine Metabolism, Thymine containing 1418 LC/MS Neg 158 1637.8 127.0513 696-04-8 93556 84456 C00906 HMDB00079 5,6-dihydrouracil Nucleotide 3701 Pyrimidine Metabolism, Uracil containing 1559 LC/MS Neg 1125 1120 113.03565 504-07-4 649 629 C00429 HMDB00076 5,6-dihydrouridine Nucleotide 3692 Pyrimidine Metabolism, Uracil containing 61833 LC/MS Neg 100001425 1119 245.07791 5/4/5627 94312 85115 5-dodecenoate (12:1n7) Lipid 1271 Medium Chain Fatty Acid 33968 LC/MS Neg 100001232 5224 197.1547 2430-94-6 5312378 4471803 HMDB00529 5-hydroxyhexanoate Lipid 1665 Fatty Acid, Monohydroxy 31938 LC/MS Neg 100001148 1267 131.07136 44843-89-2 170748 149280 HMDB00525 5-hydroxyindole sulfate Amino Acid 259 Tryptophan Metabolism 52914 LC/MS Neg 100009042 1928 212.0023 5-hydroxyindoleacetate Amino Acid 243 Tryptophan Metabolism 437 LC/MS Neg 71 1510.2 190.05096 54-16-0 1826 1760 C05635 HMDB00763 5-methyluridine (ribothymidine) Nucleotide 3694 Pyrimidine Metabolism, Uracil containing 35136 LC/MS Neg 100001446 1778.1 257.07791 1463-10-1 445408 393058 HMDB00884 5-oxoproline Amino Acid 464 Glutathione Metabolism 1494 LC/MS Neg 1021 738.5 128.03531 98-79-3 7405 7127 C01879 HMDB00267 5alpha-pregnan-3beta,20alpha-diol disulfate Lipid 2839 Progestin Steroids 37198 LC/MS Neg 100001988 3962 239.0853 5alpha-pregnan-3beta,20alpha-diol monosulfate (2) Lipid 2833 Progestin Steroids 37200 LC/MS Neg 100002014 5060 399.22106 6-bromotryptophan Amino Acid 265 Tryptophan Metabolism 62503 LC/MS Neg 100020414 3565 280.99311 6-hydroxyindole sulfate Xenobiotics 5119 Chemical 48698 LC/MS Neg 100006260 2498 212.0023 6-oxopiperidine-2-carboxylate Amino Acid 118 Lysine Metabolism 43231 LC/MS Neg 100004499 965 142.05096 34622-39-4 3014237 2282737 HMDB61705 7-alpha-hydroxy-3-oxo-4-cholestenoate (7-Hoca) Lipid 2766 Sterol 36776 LC/MS Neg 100001609 5288.1 429.30103 115538-85-7 3081085 2338765 C17337 HMDB12458 7-hydroxyindole sulfate Amino Acid 260 Tryptophan Metabolism 52915 LC/MS Neg 100009043 1765 212.0023 8-hydroxyoctanoate Lipid 1670 Fatty Acid, Monohydroxy 21239 LC/MS Neg 100000956 2300 159.10266 764-89-6 69820 63018 HMDB61914 9,10-DiHOME Lipid 1696 Fatty Acid, Dihydroxy 38399 LC/MS Neg 179 5180 313.23843 263399-34-4 9966640 8142232 C14828 HMDB04704 acesulfame Xenobiotics 4349 Food Component/Plant 48569 LC/MS Neg 100006203 1581 161.98665 55589-62-3 36573 33607 HMDB33585 acisoga Amino Acid 437 Polyamine Metabolism 43258 LC/MS Neg 100004541 2297 183.1139 106692-36-8 129397 114601 aconitate [cis or trans] Energy 1220 TCA Cycle 46173 LC/MS Neg 100001359 580 173.00916 adrenate (22:4n6) Lipid 1332 Polyunsaturated Fatty Acid (n3 and n6) 32980 LC/MS Neg 100001193 5678 331.26425 2091-25-0 5497181 4445971 C16527 HMDB02226 alpha-hydroxycaproate Lipid 1637 Fatty Acid, Monohydroxy 37073 LC/MS Neg 100001723 1920 131.07136 6064-63-7 99824 90191 HMDB01624 alpha-hydroxyisocaproate Amino Acid 275 Leucine, Isoleucine and Valine Metabolism 22132 LC/MS Neg 100000706 1840 131.07136 10303-64-7 83697 75520 C03264 HMDB00746 amoxicillin Xenobiotics 4645 Drug - Antibiotic 52948 LC/MS Neg 100008962 2365 364.09726 26787-78-0 2171 2086 C06827 HMDB15193 androstenediol (3alpha, 17alpha) monosulfate (3) Lipid 2908 Androgenic Steroids 37209 LC/MS Neg 100002027 5180 369.17411 androstenediol (3beta,17beta) disulfate (1) Lipid 2903 Androgenic Steroids 37202 LC/MS Neg 100001992 3740 224.06182 87120982 C04295 HMDB03818 androstenediol (3beta,17beta) disulfate (2) Lipid 2904 Androgenic Steroids 37203 LC/MS Neg 100001994 4065 224.0624 87120982 C04295 HMDB03818 androsterone sulfate Lipid 2894 Androgenic Steroids 31591 LC/MS Neg 100001073 5022 369.17411 2479-86-9 159663 19988780 HMDB02759 arachidate (20:0) Lipid 1297 Long Chain Fatty Acid 1118 LC/MS Neg 893 6240 311.29555 506-30-9 10467 10035 C06425 HMDB02212 arachidonate (20:4n6) Lipid 1331 Polyunsaturated Fatty Acid (n3 and n6) 1110 LC/MS Neg 229 5535 303.23295 506-32-1 444899 392692 C00219 HMDB01043 azelate (C9-DC) Lipid 1432 Fatty Acid, Dicarboxylate 18362 LC/MS Neg 2029 1276 187.09758 123-99-9 2266 2179 C08261 HMDB00784 benzoate Xenobiotics 3915 Benzoate Metabolism 15778 LC/MS Neg 100000008 1750 121.0295 65-85-0 243 238 C00180 HMDB01870 beta-citrylglutamate Amino Acid 53 Glutamate Metabolism 54923 LC/MS Neg 100003271 530 320.06232 73590-26-8 72715786 19992713 C20775 beta-hydroxyisovalerate Amino Acid 288 Leucine, Isoleucine and Valine Metabolism 12129 LC/MS Neg 1442 1027 117.05572 625-08-1 69362 62571 HMDB00754 C-glycosyltryptophan Amino Acid 221 Tryptophan Metabolism 48782 LC/MS Neg 100006379 1777 365.13542 180509-18-6 10981970 9157171 caprate (10:0) Lipid 1266 Medium Chain Fatty Acid 1642 LC/MS Neg 888 5090.7 171.13905 334-48-5 2969 2863 C01571 HMDB00511 caproate (6:0) Lipid 1262 Medium Chain Fatty Acid 32489 LC/MS Neg 926 2713.7 115.07645 142-62-1 8892 8552 C01585 HMDB00535 caprylate (8:0) Lipid 1264 Medium Chain Fatty Acid 32492 LC/MS Neg 932 4362 143.10775 124-07-2 379 370 C06423 HMDB00482 catechol sulfate Xenobiotics 3933 Benzoate Metabolism 35320 LC/MS Neg 100001605 1906 188.98631 4918-96-1 3083879 2341024 HMDB59724 cholate Lipid 2957 Primary Bile Acid Metabolism 22842 LC/MS Neg 136 5165 407.28029 81-25-4 221493 C00695 HMDB00619 cinnamoylglycine Xenobiotics 4190 Food Component/Plant 38637 LC/MS Neg 100002253 3127 204.06661 16534-24-0 709625 618829 HMDB11621 cis-4-decenoate (10:1n6) Lipid 1267 Medium Chain Fatty Acid 62873 LC/MS Neg 100002796 4890 169.1234 505-90-8 5312351 4471776 corticosterone Lipid 2856 Corticosteroids 5983 LC/MS Neg 272 5040 345.20713 50-22-6 5753 5550 C02140 HMDB01547 cortisol Lipid 2862 Corticosteroids 1712 LC/MS Neg 356 4710 361.20204 50-23-7 5754 C00735 HMDB00063 cortisone Lipid 2864 Corticosteroids 1769 LC/MS Neg 273 4575 359.18639 53-06-5 222786 361685 C00762 HMDB02802 dehydroepiandrosterone sulfate (DHEA-S) Lipid 2882 Androgenic Steroids 32425 LC/MS Neg 100000792 4745 367.15846 651-48-9 12594 12074 C04555 HMDB01032 diclofenac Xenobiotics 4603 Drug - Analgesics, Anesthetics 52931 LC/MS Neg 100008961 4903 294.0094 15307-86-5 C01690 HMDB14724 dihomo-linoleate (20:2n6) Lipid 1335 Polyunsaturated Fatty Acid (n3 and n6) 17805 LC/MS Neg 1231 5730 307.26425 2091-39-6 6439848 4944228 C16525 HMDB05060 dihomo-linolenate (20:3n3 or n6) Lipid 1330 Polyunsaturated Fatty Acid (n3 and n6) 35718 LC/MS Neg 100001739 5596 305.2486 17046-59-2 5280581 4471954 C03242 HMDB02925 docosadienoate (22:2n6) Lipid 1334 Polyunsaturated Fatty Acid (n3 and n6) 32415 LC/MS Neg 100001182 6034 335.29555 7370-49-2 5282807 4445934 C16533 HMDB61714 docosahexaenoate (DHA; 22:6n3) Lipid 1321 Polyunsaturated Fatty Acid (n3 and n6) 44675 LC/MS Neg 100000665 5525 327.23295 6217-54-5 445580 393183 C06429 HMDB02183 docosapentaenoate (n3 DPA; 22:5n3) Lipid 1320 Polyunsaturated Fatty Acid (n3 and n6) 32504 LC/MS Neg 100001181 5571 329.2486 2234-74-4 6441454 C16513 HMDB06528 docosapentaenoate (n6 DPA; 22:5n6) Lipid 1333 Polyunsaturated Fatty Acid (n3 and n6) 37478 LC/MS Neg 100001580 5624.5 329.2486 25182-74-5 6441454 4945614 C16513 HMDB01976 dodecadienoate (12:2) Lipid 1436 Fatty Acid, Dicarboxylate 62276 LC/MS Neg 100020478 5146 195.13905 dodecanedioate (C12-DC) Lipid 1438 Fatty Acid, Dicarboxylate 32388 LC/MS Neg 100001102 2990 229.14453 693-23-2 12736 12213 C02678 HMDB00623 dodecenedioate (C12:1-DC) Lipid 1443 Fatty Acid, Dicarboxylate 61864 LC/MS Neg 100019972 2700 227.12887 dopamine 3-O-sulfate Amino Acid 192 Tyrosine Metabolism 48407 LC/MS Neg 100006361 1556.2 232.02845 122136 108936 C13690 HMDB06275 dopamine 4-sulfate Amino Acid 191 Tyrosine Metabolism 48406 LC/MS Neg 100006360 1511 232.02848 123932 110461 C13691 HMDB04148 eicosanedioate (C20-DC) Lipid 1451 Fatty Acid, Dicarboxylate 39831 LC/MS Neg 100002951 5200.9 341.26973 2424-92-2 75502 68030 eicosapentaenoate (EPA; 20:5n3) Lipid 1319 Polyunsaturated Fatty Acid (n3 and n6) 18467 LC/MS Neg 2050 5450 301.2173 10-2005-9;10417-94-4 446284 393682 C06428 HMDB01999 eicosenedioate (C20:1-DC) Lipid 1452 Fatty Acid, Dicarboxylate 62923 LC/MS Neg 100021105 5095 339.25407 eicosenoate (20:1) Lipid 1300 Long Chain Fatty Acid 33587 LC/MS Neg 100001335 5950 309.2799 5282768 4445895 C16526 HMDB02231 erucate (22:1n9) Lipid 1305 Long Chain Fatty Acid 1552 LC/MS Neg 1087 6355.6 337.3112 112-86-7 5281116 7924 C08316 HMDB02068 eugenol sulfate Xenobiotics 4425 Food Component/Plant 48715 LC/MS Neg 100006171 3782 243.03326 95480-60-7 180632 157181 Fibrinopeptide A (2-15) Peptide 956 Fibrinogen Cleavage Peptide 62809 LC/MS Neg 100020902 2120 653.26621 Fibrinopeptide A (3-15) Peptide 957 Fibrinogen Cleavage Peptide 62808 LC/MS Neg 100020901 2419 595.75274 Fibrinopeptide A (3-16) Peptide 959 Fibrinogen Cleavage Peptide 62811 LC/MS Neg 100020903 2786 673.8033 Fibrinopeptide A (4-15) Peptide 958 Fibrinogen Cleavage Peptide 62810 LC/MS Neg 100020904 2570 552.23673 Fibrinopeptide A (5-16) Peptide 960 Fibrinogen Cleavage Peptide 62148 LC/MS Neg 100020274 2850 601.77795 Fibrinopeptide A (7-16) Peptide 961 Fibrinogen Cleavage Peptide 62149 LC/MS Neg 100020275 3258 508.7453 Fibrinopeptide A (8-16) Peptide 962 Fibrinogen Cleavage Peptide 62812 LC/MS Neg 100020905 3944 903.46939 Fibrinopeptide A, des-ala(1) Peptide 963 Fibrinogen Cleavage Peptide 31548 LC/MS Neg 100001323 2535 731.31677 21403111 Fibrinopeptide B (1-11) Peptide 976 Fibrinogen Cleavage Peptide 62815 LC/MS Neg 100020912 2389 411.48897 Fibrinopeptide B (1-12) Peptide 977 Fibrinogen Cleavage Peptide 62814 LC/MS Neg 100020910 2366 661.25311 Fibrinopeptide B (1-13) Peptide 978 Fibrinogen Cleavage Peptide 62813 LC/MS Neg 100020908 2482 696.77166 gamma-CEHC Cofactors and Vitamins 3822 Tocopherol Metabolism 44876 LC/MS Neg 100002094 3843 263.12888 178167-75-4 133098 117455 HMDB01931 gamma-glutamyltyrosine Peptide 527 Gamma-glutamyl Amino Acid 2734 LC/MS Neg 1102 1240 309.10921 7432-23-7 94340 85142 HMDB11741 gamma-glutamylvaline Peptide 528 Gamma-glutamyl Amino Acid 43829 LC/MS Neg 100001126 1072 245.11429 2746-34-1 7015683 HMDB11172 glu-gly-asn-val Peptide 948 Polypeptide 62917 LC/MS Neg 100021107 1000 416.17868 16618843 glucuronide of C12H22O4 (1) Partially Characterized Molecules 5174 Partially Characterized Molecules 61874 LC/MS Neg 100019984 2590 405.17662 glucuronide of C14H26O4 (1) Partially Characterized Molecules 5179 Partially Characterized Molecules 61876 LC/MS Neg 100019986 3200 433.20793 glycerol Lipid 2447 Glycerolipid Metabolism 15122 LC/MS Neg 1254 758 91.04007 56-81-5 753 733 C00116 HMDB00131 glyco-alpha-muricholate Lipid 2968 Primary Bile Acid Metabolism 62065 LC/MS Neg 100020213 4734 464.30176 glyco-beta-muricholate Lipid 2969 Primary Bile Acid Metabolism 62066 LC/MS Neg 100020214 4762 464.30176 glycochenodeoxycholate Lipid 2961 Primary Bile Acid Metabolism 32346 LC/MS Neg 1628 5236.1 448.30684 16564-43-5 12544 C05466 HMDB00637 glycochenodeoxycholate 3-sulfate Lipid 2974 Primary Bile Acid Metabolism 52974 LC/MS Neg 100006641 4820 263.62819 glycochenodeoxycholate glucuronide (1) Lipid 2972 Primary Bile Acid Metabolism 52983 LC/MS Neg 100009264 4806 311.66583 glycocholate Lipid 2958 Primary Bile Acid Metabolism 18476 LC/MS Neg 342 5163 464.30176 475-31-0;863-57-0 10140 9734 C01921 HMDB00138 glycocholenate sulfate Lipid 3018 Secondary Bile Acid Metabolism 32599 LC/MS Neg 100001989 4750 254.62291 glycodeoxycholate 3-sulfate Lipid 3023 Secondary Bile Acid Metabolism 52975 LC/MS Neg 100006642 4875 263.62819 glycohyocholate Lipid 3009 Secondary Bile Acid Metabolism 42574 LC/MS Neg 100004083 5020 464.30176 glycolithocholate Lipid 2991 Secondary Bile Acid Metabolism 31912 LC/MS Neg 100001064 5357.1 432.31193 474-74-8 115245 103116 C15557 HMDB00698 glycolithocholate sulfate Lipid 2992 Secondary Bile Acid Metabolism 32620 LC/MS Neg 100001657 5011 255.63073 15324-64-8 72222 65188 C11301 HMDB02639 glycoursodeoxycholate Lipid 2999 Secondary Bile Acid Metabolism 39379 LC/MS Neg 100002911 5033 448.30684 64480-66-6 12310288 19973534 HMDB00708 guaiacol sulfate Xenobiotics 3936 Benzoate Metabolism 46111 LC/MS Neg 100004208 2344 203.00196 22473 21078 HMDB60013 heneicosapentaenoate (21:5n3) Lipid 1312 Polyunsaturated Fatty Acid (n3 and n6) 57658 LC/MS Neg 100015797 5514 315.23295 24257-10-1 11998573 10171040 heptanoate (7:0) Lipid 1263 Medium Chain Fatty Acid 1644 LC/MS Neg 925 3670 129.0921 111-14-8 8094 7803 C17714 HMDB00666 hexadecadienoate (16:2n6) Lipid 1314 Polyunsaturated Fatty Acid (n3 and n6) 57652 LC/MS Neg 100009394 5398 251.20165 28290-73-5 13628094 HMDB00477 hexadecanedioate (C16-DC) Lipid 1442 Fatty Acid, Dicarboxylate 35678 LC/MS Neg 100001614 4615 285.20713 505-54-4 10459 10027 C19615 HMDB00672 hexadecenedioate (C16:1-DC) Lipid 1444 Fatty Acid, Dicarboxylate 61862 LC/MS Neg 100019975 4380 283.19148 hexanoylglutamine Lipid 1521 Fatty Acid Metabolism (Acyl Glutamine) 54907 LC/MS Neg 100001733 2780 243.13503 hexanoylglycine Lipid 1533 Fatty Acid Metabolism(Acyl Glycine) 35436 LC/MS Neg 100001527 2900 172.09791 24003-67-6 99463 89859 HMDB00701 hippurate Xenobiotics 3901 Benzoate Metabolism 15753 LC/MS Neg 100000014 2106.9 178.05096 495-69-2 464 451 C01586 HMDB00714 histidine Amino Acid 65 Histidine Metabolism 59 LC/MS Neg 355 755.9 154.0622 5934-29-2 6274 752 C00135 HMDB00177 homovanillate (HVA) Amino Acid 178 Tyrosine Metabolism 1101 LC/MS Neg 117 1649 181.05063 306-08-1 1738 5323114 C05582 HMDB00118 hydroquinone sulfate Xenobiotics 4911 Drug - Topical Agents 35322 LC/MS Neg 100001604 1395 188.98631 123-31-9 161220 141624 C00530 HMDB02434 hydroxy-CMPF Lipid 1455 Fatty Acid, Dicarboxylate 62277 LC/MS Neg 100019794 1516 255.08741 hypoxanthine Nucleotide 3597 Purine Metabolism, (Hypo)Xanthine/Inosine containing 3127 LC/MS Neg 171 1291.2 135.03123 68-94-0 790 768 C00262 HMDB00157 indole-3-carboxylate Amino Acid 256 Tryptophan Metabolism 38116 LC/MS Neg 100002185 1710 160.0404 771-50-6 69867 C19837 HMDB03320 indoleacetate Amino Acid 248 Tryptophan Metabolism 27513 LC/MS Neg 100001034 2200 174.05605 6505-45-9 802 780 C00954 HMDB00197 indolelactate Amino Acid 247 Tryptophan Metabolism 18349 LC/MS Neg 100000463 2286 204.06661 832-97-3 92904 83867 C02043 HMDB00671 indolepropionate Amino Acid 251 Tryptophan Metabolism 32405 LC/MS Neg 100001083 2795 188.0717 830-96-6 3744 3613 HMDB02302 indolepropionylglycine Amino Acid 252 Tryptophan Metabolism 54917 LC/MS Neg 100010863 2926 245.09316 7677842 5990843 inosine Nucleotide 3596 Purine Metabolism, (Hypo)Xanthine/Inosine containing 1123 LC/MS Neg 361 1602.1 267.07349 58-63-9 6021 21241953 C00294 HMDB00195 isobutyrylglycine Amino Acid 336 Leucine, Isoleucine and Valine Metabolism 35437 LC/MS Neg 100001590 1420 144.06661 15926-18-8 10855600 9030891 HMDB00730 isoeugenol sulfate Xenobiotics 4431 Food Component/Plant 48997 LC/MS Neg 100006089 3893 243.03326 157181 isoleucylglycine Peptide 720 Dipeptide 40008 LC/MS Neg 100003169 1992 187.10881 868-28-0 342532 303621 HMDB28907 isoursodeoxycholate Lipid 2998 Secondary Bile Acid Metabolism 57577 LC/MS Neg 100002488 4809 391.28538 78919-26-3 127601 113205 C17662 HMDB00686 isovalerate (i5:0) Amino Acid 279 Leucine, Isoleucine and Valine Metabolism 44656 LC/MS Neg 100000708 1564 101.0608 503-74-2 10430 10001 C08262 HMDB00718 isovalerylglycine Amino Acid 280 Leucine, Isoleucine and Valine Metabolism 35107 LC/MS Neg 100001452 1950 158.08226 16284-60-9 546304 475516 HMDB00678 kynurenate Amino Acid 229 Tryptophan Metabolism 1417 LC/MS Neg 98 2224 188.03531 492-27-3 3845 3712 C01717 HMDB00715 linoleate (18:2n6) Lipid 1326 Polyunsaturated Fatty Acid (n3 and n6) 1105 LC/MS Neg 180 5535 279.23295 60-33-3 5280450 4444105 C01595 HMDB00673 linolenate [alpha or gamma; (18:3n3 or 6)] Lipid 1328 Polyunsaturated Fatty Acid (n3 and n6) 34035 LC/MS Neg 100001337 5450 277.2173 5280934 4444437 C06426 HMDB03073 lithocholate sulfate (1) Lipid 2989 Secondary Bile Acid Metabolism 62526 LC/MS Neg 100020823 4811 227.12 malate Energy 1230 TCA Cycle 1303 LC/MS Neg 409 615.6 133.01425 6915-15-7 525 510 C00149 HMDB00156 margarate (17:0) Lipid 1281 Long Chain Fatty Acid 1121 LC/MS Neg 891 5731 269.2486 506-12-7 10465 10033 HMDB02259 methyl glucopyranoside (alpha + beta) Xenobiotics 4392 Food Component/Plant 46144 LC/MS Neg 100005864 1070 193.0718 methyl-4-hydroxybenzoate sulfate Xenobiotics 3969 Benzoate Metabolism 48429 LC/MS Neg 100006116 2873 230.99688 methylnaphthyl sulfate (1) Xenobiotics 5066 Chemical 61872 LC/MS Neg 100020005 4117 237.0227 methylnaphthyl sulfate (2) Xenobiotics 5067 Chemical 61873 LC/MS Neg 100020006 4163 237.0227 metronidazole Xenobiotics 4662 Drug - Antibiotic 57642 LC/MS Neg 100015878 2339 170.05711 73334-05-1 4173 4029 D00409 HMDB15052 myristate (14:0) Lipid 1273 Long Chain Fatty Acid 1365 LC/MS Neg 519 5440 227.20165 544-63-8 11005 10539 C06424 HMDB00806 myristoleate (14:1n5) Lipid 1274 Long Chain Fatty Acid 32418 LC/MS Neg 100001198 5346.9 225.186 544-64-9 5281119 4444564 C08322 HMDB02000 N-(2-furoyl)glycine Xenobiotics 4285 Food Component/Plant 31536 LC/MS Neg 100001086 1525 168.03023 5657-19-2;5657-19-2 21863 20549 HMDB00439 N-acetyl-2-aminooctanoate Lipid 1504 Fatty Acid, Amino 62059 LC/MS Neg 100020204 3943 200.12921 95555 86248 HMDB59745 N-acetyl-aspartyl-glutamate (NAAG) Amino Acid 52 Glutamate Metabolism 35665 LC/MS Neg 100001612 575.3 303.08339 3106-85-2 5255 5065 C12270 HMDB01067 N-acetyl-beta-alanine Nucleotide 3710 Pyrimidine Metabolism, Uracil containing 37432 LC/MS Neg 100002102 773 130.05096 3025-95-4 76406 68881 C01073 N-acetylaspartate (NAA) Amino Acid 35 Alanine and Aspartate Metabolism 22185 LC/MS Neg 100000787 620.5 174.04079 997-55-7;997-55-7 65065 58576 C01042 HMDB00812 N-acetylcarnosine Amino Acid 79 Histidine Metabolism 43488 LC/MS Neg 100004046 1235 267.10988 56353-15-2 9903482 8079136 HMDB12881 N-acetylisoleucine Amino Acid 306 Leucine, Isoleucine and Valine Metabolism 33967 LC/MS Neg 100001276 2325 172.09791 3077-46-1 2802421 2081100 HMDB61684 N-acetylleucine Amino Acid 269 Leucine, Isoleucine and Valine Metabolism 1587 LC/MS Neg 1082 2400 172.09791 1188-21-2 70912 64075 C02710 HMDB11756 N-acetylmethionine Amino Acid 342 Methionine, Cysteine, SAM and Taurine Metabolism 1589 LC/MS Neg 1083 1787 190.05434 65-82-7 448580 395338 C02712 HMDB11745 N-acetylphenylalanine Amino Acid 125 Phenylalanine Metabolism 33950 LC/MS Neg 100001256 2597 206.08226 2018-61-3 74839 67404 C03519 HMDB00512 N-acetyltaurine Amino Acid 376 Methionine, Cysteine, SAM and Taurine Metabolism 48187 LC/MS Neg 100005466 800 166.01795 159864 140553 N-acetylthreonine Amino Acid 17 Glycine, Serine and Threonine Metabolism 33939 LC/MS Neg 100001274 821.6 160.06153 17093-74-2 152204 3841173 HMDB62557 N-acetyltyrosine Amino Acid 142 Tyrosine Metabolism 32390 LC/MS Neg 100001104 1680 222.07718 537-55-3 68310 61606 HMDB00866 N-acetylvaline Amino Acid 327 Leucine, Isoleucine and Valine Metabolism 1591 LC/MS Neg 1084 1704 158.08226 96-81-1 66789 60154 HMDB11757 N-delta-acetylornithine Amino Acid 403 Urea cycle; Arginine and Proline Metabolism 43249 LC/MS Neg 100004523 858 173.09316 9920500 8096135 N-formylanthranilic acid Amino Acid 231 Tryptophan Metabolism 43549 LC/MS Neg 100004561 2150 164.03531 3342-77-6 101399 91624 C05653 HMDB04089 N-formylmethionine Amino Acid 343 Methionine, Cysteine, SAM and Taurine Metabolism 2829 LC/MS Neg 194 1543.8 176.03869 4289-98-9 439750 388809 C03145 HMDB01015 N-formylphenylalanine Amino Acid 195 Tyrosine Metabolism 48433 LC/MS Neg 100006056 2360 192.06661 13200-85-6 759256 663938 N-linoleoylserine Lipid 1485 Fatty Acid, Amide 61823 LC/MS Neg 100019958 5492 366.26497 N-linoleoyltaurine Lipid 1812 Endocannabinoid 61826 LC/MS Neg 100005814 5505 386.23705 N-oleoylserine Lipid 1826 Endocannabinoid 57664 LC/MS Neg 100015641 5600 368.28063 21466990 N-palmitoylglycine Lipid 1539 Fatty Acid Metabolism(Acyl Glycine) 42092 LC/MS Neg 100003686 5580 312.25441 2441-41-0 151008 133100 HMDB13034 N-palmitoylserine Lipid 1828 Endocannabinoid 57659 LC/MS Neg 100015640 5557 342.26498 58725-46-5;474943-14-1 6453686 4956046 N-stearoylserine Lipid 1827 Endocannabinoid 61822 LC/MS Neg 100019957 5777 370.29628 15545488 N-stearoyltaurine Lipid 1809 Endocannabinoid 39730 LC/MS Neg 100003240 5782 390.26835 63155-80-6 168274 147194 N2,N5-diacetylornithine Amino Acid 405 Urea cycle; Arginine and Proline Metabolism 43591 LC/MS Neg 100004575 1367 215.10373 39825-23-5 10398396 8573834 N4-acetyl-5-hydroxysulfamethoxazole Xenobiotics 4688 Drug - Antibiotic 62107 LC/MS Neg 100020244 1745 310.05031 N4-acetylcytidine Nucleotide 3724 Pyrimidine Metabolism, Cytidine containing 35130 LC/MS Neg 100001413 2040 284.08881 3768-18-1 107461 96702 HMDB05923 N4-acetylsulfamethoxazole Xenobiotics 4689 Drug - Antibiotic 62106 LC/MS Neg 100020243 2489 294.0554 65280 58771 C13061,D01601 HMDB13854 N6-acetyllysine Amino Acid 96 Lysine Metabolism 36752 LC/MS Neg 100001734 1059 187.10881 692-04-6 92832 83801 C02727 HMDB00206 N6-carbamoylthreonyladenosine Nucleotide 3637 Purine Metabolism, Adenine containing 35157 LC/MS Neg 100001415 2164 411.12698 24719-82-2 161466 141829 HMDB41623 N6-succinyladenosine Nucleotide 3647 Purine Metabolism, Adenine containing 48130 LC/MS Neg 100001664 940 382.10043 4542-23-8 165243 HMDB00912 nonadecanoate (19:0) Lipid 1293 Long Chain Fatty Acid 1356 LC/MS Neg 892 6068 297.2799 646-30-0 12591 12071 C16535 HMDB00772 o-cresol sulfate Xenobiotics 3983 Benzoate Metabolism 36845 LC/MS Neg 100001806 2796 187.00705 11615528 9790277 O-sulfo-L-tyrosine Xenobiotics 4987 Chemical 45413 LC/MS Neg 100005384 990 260.02343 514186 448617 octadecadienedioate (C18:2-DC) Lipid 1449 Fatty Acid, Dicarboxylate 61860 LC/MS Neg 100019982 4676 309.20714 octadecanedioate (C18-DC) Lipid 1446 Fatty Acid, Dicarboxylate 36754 LC/MS Neg 100001615 5043 313.23843 871-70-5 70095 63283 HMDB00782 octadecenedioate (C18:1-DC) Lipid 1447 Fatty Acid, Dicarboxylate 61861 LC/MS Neg 100019978 4875 311.22279 oleate/vaccenate (18:1) Lipid 1286 Long Chain Fatty Acid 52285 LC/MS Neg 100008930 5655 281.2486 oleoyl ethanolamide Lipid 1796 Endocannabinoid 38102 LC/MS Neg 1137 6450 324.2908 11-58-0;111-58-0 5283454 4446574 HMDB02088 oxalate (ethanedioate) Cofactors and Vitamins 3811 Ascorbate and Aldarate Metabolism 20694 LC/MS Neg 100000841 603 88.98803 144-62-7 971 946 C00209 HMDB02329 p-cresol glucuronide Amino Acid 193 Tyrosine Metabolism 48841 LC/MS Neg 100006191 2420 283.08232 17680-99-8 154035 135751 HMDB11686 p-cresol sulfate Xenobiotics 3976 Benzoate Metabolism 36103 LC/MS Neg 100001315 2890 187.00705 3233-57-7 4615423 3806480 HMDB11635 palmitate (16:0) Lipid 1278 Long Chain Fatty Acid 1336 LC/MS Neg 424 5618 255.23295 57-10-3 985 960 C00249 HMDB00220 palmitoleate (16:1n7) Lipid 1279 Long Chain Fatty Acid 33447 LC/MS Neg 452 5475 253.2173 373-49-9 445638 393216 C08362 HMDB03229 pantothenate Cofactors and Vitamins 3795 Pantothenate and CoA Metabolism 1508 LC/MS Neg 1024 1498.7 218.10339 137-08-6 6613 6361 C00864 HMDB00210 perfluorooctanoate (PFOA) Xenobiotics 5125 Chemical 62071 LC/MS Neg 100020208 5130 412.96642 9554 9180 HMDB59587 phenol glucuronide Amino Acid 159 Tyrosine Metabolism 52747 LC/MS Neg 100006679 1800 269.06667 17685-05-1 87235 78692 HMDB60014 phenol sulfate Amino Acid 158 Tyrosine Metabolism 32553 LC/MS Neg 100001510 2156 172.9914 937-34-8 74426 67018 C02180 HMDB60015 phenylacetate Amino Acid 134 Phenylalanine Metabolism 57745 LC/MS Neg 100000011 2150 91.05535 103-82-2 999 10181341 C07086 HMDB00209 phenylacetylglutamate Peptide 982 Acetylated Peptides 52925 LC/MS Neg 100009045 1630 264.08774 11579826 9754592 HMDB59772 phenylacetylglutamine Peptide 983 Acetylated Peptides 35126 LC/MS Neg 100001417 2330 263.10373 28047-15-6 92258 270643 C04148 HMDB06344 phenyllactate (PLA) Amino Acid 130 Phenylalanine Metabolism 22130 LC/MS Neg 100000774 2208 165.05571 828-01-3 3848 3715 C05607 HMDB00779 pregnenediol disulfate (C21H34O8S2) Lipid 2819 Pregnenolone Steroids 32562 LC/MS Neg 100001993 3868 238.07747 pregnenediol sulfate (C21H34O5S) Lipid 2818 Pregnenolone Steroids 32619 LC/MS Neg 100002067 5000 397.20541 1247-64-9 13465233 pregnenetriol disulfate Lipid 2821 Pregnenolone Steroids 62921 LC/MS Neg 100021104 3504 246.07493 pregnenetriol sulfate Lipid 2820 Pregnenolone Steroids 62922 LC/MS Neg 100021103 4749 413.20033 pregnenolone sulfate Lipid 2802 Pregnenolone Steroids 38170 LC/MS Neg 100002129 5100 395.18976 1247-64-9 105074 94802 HMDB00774 propionylglycine Lipid 1518 Fatty Acid Metabolism (also BCAA Metabolism) 31932 LC/MS Neg 100001150 960 130.05096 21709-90-0 98681 89122 HMDB00783 propyl 4-hydroxybenzoate sulfate Xenobiotics 3971 Benzoate Metabolism 48460 LC/MS Neg 100006264 3971 259.02818 162338-10-5 48063224 pseudouridine Nucleotide 3691 Pyrimidine Metabolism, Uracil containing 33442 LC/MS Neg 821 1100 243.06226 1445-07-4 15047 21403010 C02067 HMDB00767 pyridoxate Cofactors and Vitamins 3899 Vitamin B6 Metabolism 31555 LC/MS Neg 100001121 2185 182.04588 82-82-6 6723 6467 C00847 HMDB00017 pyrraline Xenobiotics 4420 Food Component/Plant 48428 LC/MS Neg 100001767 2304 253.11938 74509-14-1 122228 19980286 HMDB33143 S-adenosylhomocysteine (SAH) Amino Acid 352 Methionine, Cysteine, SAM and Taurine Metabolism 42382 LC/MS Neg 197 1832.4 383.11431 979-92-0 439155 16788012 C00021 HMDB00939 S-methylcysteine Amino Acid 362 Methionine, Cysteine, SAM and Taurine Metabolism 39592 LC/MS Neg 100002749 880 134.02812 1187-84-4 24417 22826 HMDB02108 saccharin Xenobiotics 4347 Food Component/Plant 21151 LC/MS Neg 100000870 2000 181.99173 81-07-2 5143 4959 D01085 HMDB29723 salicyluric glucuronide Xenobiotics 4591 Drug - Analgesics, Anesthetics 33384 LC/MS Neg 100001332 1463 370.07797 21403117 stearate (18:0) Lipid 1284 Long Chain Fatty Acid 1358 LC/MS Neg 439 5872 283.26425 57-11-4 5281 5091 C01530 HMDB00827 stearidonate (18:4n3) Lipid 1318 Polyunsaturated Fatty Acid (n3 and n6) 33969 LC/MS Neg 100001229 5395 275.20165 111174-40-4 5312508 4471933 C16300 HMDB06547 sucrose Carbohydrate 1110 Disaccharides and Oligosaccharides 1519 LC/MS Neg 935 865 341.10894 57-50-1 5988 5768 C00089 HMDB00258 sulfate Xenobiotics 4984 Chemical 46960 LC/MS Neg 100002528 616 96.9601 14808-79-8 1118 1086 C00059 HMDB01448 syringol sulfate Xenobiotics 4440 Food Component/Plant 48454 LC/MS Neg 100006256 2395 233.01253 52904-67-3 tartronate (hydroxymalonate) Xenobiotics 4503 Food Component/Plant 20693 LC/MS Neg 100000840 610 118.99859 80-69-3 45 44 C02287 HMDB35227 tauro-beta-muricholate Lipid 2966 Primary Bile Acid Metabolism 33983 LC/MS Neg 100001250 4774 514.28439 25696-60-0 168408 147312 HMDB00932 taurochenodeoxycholate Lipid 2962 Primary Bile Acid Metabolism 18494 LC/MS Neg 1629 5250 498.28948 6009-98-9 387316 343282 C05465 HMDB00951 taurochenodeoxycholic acid 3-sulfate Lipid 3024 Secondary Bile Acid Metabolism 62890 LC/MS Neg 100021093 4809 288.61951 24850141 HMDB02486 taurocholate Lipid 2959 Primary Bile Acid Metabolism 18497 LC/MS Neg 1648 5150 514.28439 145-42-6 6675 C05122 HMDB00036 taurocholenate sulfate Lipid 3019 Secondary Bile Acid Metabolism 32807 LC/MS Neg 100001990 4750 279.61422 taurodeoxycholic acid 3-sulfate Lipid 2983 Secondary Bile Acid Metabolism 62889 LC/MS Neg 100006644 4850 288.61951 taurohyocholate Lipid 3010 Secondary Bile Acid Metabolism 42603 LC/MS Neg 100004084 5000 514.28439 taurolithocholate 3-sulfate Lipid 2994 Secondary Bile Acid Metabolism 36850 LC/MS Neg 100001658 5027 280.62205 64936-83-0 440071 389078 C03642 HMDB02580 tauroursodeoxycholate Lipid 3001 Secondary Bile Acid Metabolism 39378 LC/MS Neg 100002912 5025 498.28948 14605-22-2 9848818 24539842 HMDB00874 tetradecadienedioate (C14:2-DC) Lipid 1448 Fatty Acid, Dicarboxylate 62918 LC/MS Neg 100021100 3148 253.14453 tetradecadienoate (14:2) Lipid 1313 Polyunsaturated Fatty Acid (n3 and n6) 62850 LC/MS Neg 100020343 5292 223.17035 39039-37-7 5312409 4471834 HMDB00560 tetradecanedioate (C14-DC) Lipid 1441 Fatty Acid, Dicarboxylate 35669 LC/MS Neg 100001613 3985 257.17583 821-38-5 13185 12630 HMDB00872 tetrahydrocortisol sulfate (1) Lipid 2873 Corticosteroids 62793 LC/MS Neg 100020848 4276 445.19016 threonylphenylalanine Peptide 850 Dipeptide 31530 LC/MS Neg 100001125 2322 265.11938 16875-27-7 4099799 3313819 HMDB29068 thromboxane B2 Lipid 1724 Eicosanoid 17807 LC/MS Neg 1308 4526 369.22826 54397-85-2 5283137 4446261 C05963 HMDB03252 thymol sulfate Xenobiotics 4379 Food Component/Plant 36095 LC/MS Neg 100001757 4410 229.054 89-83-8 10709958 C09908 HMDB01878 thyroxine Amino Acid 210 Tyrosine Metabolism 2761 LC/MS Neg 1094 4808 775.67944 51-48-9 5819 5614 C01829 HMDB01918 tridecenedioate (C13:1-DC) Lipid 1440 Fatty Acid, Dicarboxylate 62919 LC/MS Neg 100002199 3051 241.14453 tyramine O-sulfate Amino Acid 194 Tyrosine Metabolism 48408 LC/MS Neg 100006092 1565 216.0336 30223-92-8 153005 134849 HMDB06409 undecanedioate (C11-DC) Lipid 1435 Fatty Acid, Dicarboxylate 42395 LC/MS Neg 100001617 2440 215.12888 1852-04-6 15816 15037 HMDB00888 urate Nucleotide 3606 Purine Metabolism, (Hypo)Xanthine/Inosine containing 1604 LC/MS Neg 1134 757.1 167.02106 69-93-2;120K5305 1175 C00366 HMDB00289 uridine Nucleotide 3689 Pyrimidine Metabolism, Uracil containing 606 LC/MS Neg 535 1457.6 243.06226 58-96-8 6029 5807 C00299 HMDB00296 valerate (5:0) Lipid 1261 Short Chain Fatty Acid 33443 LC/MS Neg 1136 1718 101.0608 109-52-4 7991 7701 C00803 HMDB00892 valylglycine Peptide 893 Dipeptide 40475 LC/MS Neg 100003641 1506 173.09316 686-43-1 136487 120256 HMDB29127 vanillactate Amino Acid 169 Tyrosine Metabolism 54910 LC/MS Neg 100006129 1625 211.06119 2475-56-1 160637 141152 HMDB00913 vanillylmandelate (VMA) Amino Acid 170 Tyrosine Metabolism 1567 LC/MS Neg 1111 941 197.04555 55-10-7 1245 1207 C05584 HMDB00291 xanthosine Nucleotide 3600 Purine Metabolism, (Hypo)Xanthine/Inosine containing 15136 LC/MS Neg 100000299 1075 283.0684 146-80-5 64959 58484 C01762 HMDB00299 METABOLITES_END #END