#METABOLOMICS WORKBENCH MohamedMohsen_20210107_114515 DATATRACK_ID:2386 STUDY_ID:ST001720 ANALYSIS_ID:AN002803 PROJECT_ID:PR001053 VERSION 1 CREATED_ON March 15, 2021, 11:43 am #PROJECT PR:PROJECT_TITLE Non-Invasive Plasma Glycomic and Metabolic Biomarkers of Post-treatment Control PR:PROJECT_TITLE of HIV (update) PR:PROJECT_SUMMARY Non-invasive biomarkers that predict HIV remission after antiretroviral therapy PR:PROJECT_SUMMARY (ART) interruption are urgently needed. Such biomarkers can improve the safety PR:PROJECT_SUMMARY of analytic treatment interruption (ATI) and provide mechanistic insights into PR:PROJECT_SUMMARY the pathways involved in post-ART HIV control. We identified plasma glycomic and PR:PROJECT_SUMMARY metabolic signatures of time-to-viral-rebound and probability-of-viral-rebound PR:PROJECT_SUMMARY using samples from two independent cohorts. These samples include a large number PR:PROJECT_SUMMARY of post-treatment controllers, a rare population demonstrating sustained PR:PROJECT_SUMMARY virologic suppression after ART-cessation. The signatures remained significant PR:PROJECT_SUMMARY after adjusting for key demographic and clinical confounders. We also confirmed PR:PROJECT_SUMMARY a mechanistic link between biomarkers and HIV latency reactivation and myeloid PR:PROJECT_SUMMARY inflammation in vitro. Finally, machine learning algorithms selected sets of PR:PROJECT_SUMMARY biomarkers that predict time-to-viral-rebound with 74-76% capacity and PR:PROJECT_SUMMARY probability-of-viral-rebound with 97.5% capacity. In summary, we fill a major PR:PROJECT_SUMMARY gap in HIV cure research by identifying non-invasive biomarkers, with potential PR:PROJECT_SUMMARY functional significance, that predict duration and probability of viral PR:PROJECT_SUMMARY remission after treatment interruption. PR:INSTITUTE The Wistar Institute PR:LAST_NAME Abdel-Mohsen PR:FIRST_NAME Mohamed PR:ADDRESS 3601 Spruce St, Philadelphia, PA 19104 PR:EMAIL mmohsen@wistar.org PR:PHONE 215-898-6008 #STUDY ST:STUDY_TITLE Metabolomics Analysis of ACTG Cohort -Update (part-II) ST:STUDY_TYPE Metabolomics Analysis ST:STUDY_SUMMARY Global metabolomics analysis of ACTG cohort ST:INSTITUTE The Wistar Institute ST:LAST_NAME Abdel-Mohsen ST:FIRST_NAME Mohamed ST:ADDRESS 3601 Spruce St, Philadelphia, PA 19104 ST:EMAIL mmohsen@wistar.org ST:PHONE 215-898-6008 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS 44763 1 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=453; Days to >50 Copies=40; Days to >1000 Copies=47; Days to two consecutive >1000 Copies=47; Duration of ART (from first ART to ATI) (years)=9.5852; Pre-ATI CD4 cells/mm3=789; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=39; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_01.raw SUBJECT_SAMPLE_FACTORS 51079 4 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=1506; Days to >50 Copies=14; Days to >1000 Copies=21; Days to two consecutive >1000 Copies=21; Duration of ART (from first ART to ATI) (years)=6.2669; Pre-ATI CD4 cells/mm3=695; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_04.raw SUBJECT_SAMPLE_FACTORS 51270 6 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=658; Days to >50 Copies=35; Days to >1000 Copies=35; Days to two consecutive >1000 Copies=35; Duration of ART (from first ART to ATI) (years)=5.5195; Pre-ATI CD4 cells/mm3=1048; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=38; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_06.raw SUBJECT_SAMPLE_FACTORS 72941 9 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=129; Days to >50 Copies=9; Days to >1000 Copies=45; Days to two consecutive >1000 Copies=45; Duration of ART (from first ART to ATI) (years)=3.7837; Pre-ATI CD4 cells/mm3=736; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_09.raw SUBJECT_SAMPLE_FACTORS 83222 10 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=341; Days to >50 Copies=34; Days to >1000 Copies=34; Days to two consecutive >1000 Copies=34; Duration of ART (from first ART to ATI) (years)=3.2389; Pre-ATI CD4 cells/mm3=1012; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=48; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_10.raw SUBJECT_SAMPLE_FACTORS 83223 13 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=391; Days to >50 Copies=27; Days to >1000 Copies=55; Days to two consecutive >1000 Copies=55; Duration of ART (from first ART to ATI) (years)=6.9213; Pre-ATI CD4 cells/mm3=1488; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=58; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_13.raw SUBJECT_SAMPLE_FACTORS 111865 16 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=88; Days to >50 Copies=11; Days to >1000 Copies=18; Days to two consecutive >1000 Copies=18; Duration of ART (from first ART to ATI) (years)=10.694; Pre-ATI CD4 cells/mm3=778; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=52; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_16.raw SUBJECT_SAMPLE_FACTORS 121494 17 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=663; Days to >50 Copies=52; Days to >1000 Copies=334; Days to two consecutive >1000 Copies=334; Duration of ART (from first ART to ATI) (years)=3.5373; Pre-ATI CD4 cells/mm3=800; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=56; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_17.raw SUBJECT_SAMPLE_FACTORS 212915 20 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=672; Days to >50 Copies=27; Days to >1000 Copies=27; Days to two consecutive >1000 Copies=27; Duration of ART (from first ART to ATI) (years)=0.6899; Pre-ATI CD4 cells/mm3=561; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=35; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_20.raw SUBJECT_SAMPLE_FACTORS 251644 23 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=771; Days to >50 Copies=23; Days to >1000 Copies=37; Days to two consecutive >1000 Copies=37; Duration of ART (from first ART to ATI) (years)=5.5578; Pre-ATI CD4 cells/mm3=691; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=38; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_23.raw SUBJECT_SAMPLE_FACTORS 272381 28 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Followed for how many days after tretament interuption=164; Days to >50 Copies=32; Days to >1000 Copies=32; Days to two consecutive >1000 Copies=32; Duration of ART (from first ART to ATI) (years)=5.6619; Pre-ATI CD4 cells/mm3=572; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=49; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_28.raw SUBJECT_SAMPLE_FACTORS 281372 30 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Followed for how many days after tretament interuption=89; Days to >50 Copies=20; Days to >1000 Copies=20; Days to two consecutive >1000 Copies=20; Duration of ART (from first ART to ATI) (years)=6.0424; Pre-ATI CD4 cells/mm3=781; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=50; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_30.raw SUBJECT_SAMPLE_FACTORS 291118 32 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Black Followed for how many days after tretament interuption=658; Days to >50 Copies=14; Days to >1000 Copies=62; Days to two consecutive >1000 Copies=313; Duration of ART (from first ART to ATI) (years)=6.6639; Pre-ATI CD4 cells/mm3=685; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=45; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_32.raw SUBJECT_SAMPLE_FACTORS 291214 34 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=678; Days to >50 Copies=60; Days to >1000 Copies=60; Days to two consecutive >1000 Copies=60; Duration of ART (from first ART to ATI) (years)=2.1027; Pre-ATI CD4 cells/mm3=1050; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=37; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_34.raw SUBJECT_SAMPLE_FACTORS 580398 37 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=77; Days to >50 Copies=22; Days to >1000 Copies=22; Days to two consecutive >1000 Copies=22; Duration of ART (from first ART to ATI) (years)=4.5421; Pre-ATI CD4 cells/mm3=1685; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=45; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_37.raw SUBJECT_SAMPLE_FACTORS 630725 40 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=91; Days to >50 Copies=14; Days to >1000 Copies=21; Days to two consecutive >1000 Copies=21; Duration of ART (from first ART to ATI) (years)=4.1643; Pre-ATI CD4 cells/mm3=1043; Source ACTG study=A5024; Age at start of analytical treatment interuption (ATI) in years=31; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_40.raw SUBJECT_SAMPLE_FACTORS 83111 42 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=91; Days to >50 Copies=14; Days to >1000 Copies=14; Days to two consecutive >1000 Copies=14; Duration of ART (from first ART to ATI) (years)=7.0719; Pre-ATI CD4 cells/mm3=1520; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=49; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_42.raw SUBJECT_SAMPLE_FACTORS 291180 43 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=433; Days to >50 Copies=27; Days to >1000 Copies=27; Days to two consecutive >1000 Copies=27; Duration of ART (from first ART to ATI) (years)=5.7112; Pre-ATI CD4 cells/mm3=1132; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=49; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_43.raw SUBJECT_SAMPLE_FACTORS 111709 45 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=49; Days to >50 Copies=26; Days to >1000 Copies=26; Days to two consecutive >1000 Copies=26; Duration of ART (from first ART to ATI) (years)=7.2471; Pre-ATI CD4 cells/mm3=913; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=51; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_45.raw SUBJECT_SAMPLE_FACTORS 231262 47 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=469; Days to >50 Copies=50; Days to >1000 Copies=56; Days to two consecutive >1000 Copies=56; Duration of ART (from first ART to ATI) (years)=8.8323; Pre-ATI CD4 cells/mm3=553; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=44; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_47.raw SUBJECT_SAMPLE_FACTORS 262534 50 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Followed for how many days after tretament interuption=83; Days to >50 Copies=20; Days to >1000 Copies=28; Days to two consecutive >1000 Copies=28; Duration of ART (from first ART to ATI) (years)=5.7194; Pre-ATI CD4 cells/mm3=1319; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=40; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_50.raw SUBJECT_SAMPLE_FACTORS 321603 53 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=176; Days to >50 Copies=8; Days to >1000 Copies=8; Days to two consecutive >1000 Copies=8; Duration of ART (from first ART to ATI) (years)=3.2717; Pre-ATI CD4 cells/mm3=445; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=45; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_53.raw SUBJECT_SAMPLE_FACTORS 44633 56 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=27; Days to >50 Copies=7; Days to >1000 Copies=14; Days to two consecutive >1000 Copies=14; Duration of ART (from first ART to ATI) (years)=1.1499; Pre-ATI CD4 cells/mm3=621; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=24; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_56.raw SUBJECT_SAMPLE_FACTORS 281239 58 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=469; Days to >50 Copies=15; Days to >1000 Copies=15; Days to two consecutive >1000 Copies=15; Duration of ART (from first ART to ATI) (years)=1.1718; Pre-ATI CD4 cells/mm3=814; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=26; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_58.raw SUBJECT_SAMPLE_FACTORS 43815 63 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=383; Days to >50 Copies=82; Days to >1000 Copies=111; Days to two consecutive >1000 Copies=111; Duration of ART (from first ART to ATI) (years)=1.0815; Pre-ATI CD4 cells/mm3=501; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=37; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_63.raw SUBJECT_SAMPLE_FACTORS 291176 66 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=314; Days to >50 Copies=6; Days to >1000 Copies=13; Days to two consecutive >1000 Copies=13; Duration of ART (from first ART to ATI) (years)=0.9993; Pre-ATI CD4 cells/mm3=1017; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_66.raw SUBJECT_SAMPLE_FACTORS 43649 69 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=202; Days to >50 Copies=11; Days to >1000 Copies=18; Days to two consecutive >1000 Copies=111; Duration of ART (from first ART to ATI) (years)=1.1663; Pre-ATI CD4 cells/mm3=905; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=22; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_69.raw SUBJECT_SAMPLE_FACTORS 44622 71 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=314; Days to >50 Copies=12; Days to >1000 Copies=27; Days to two consecutive >1000 Copies=131; Duration of ART (from first ART to ATI) (years)=1.0267; Pre-ATI CD4 cells/mm3=989; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=30; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_71.raw SUBJECT_SAMPLE_FACTORS 111735 74 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=41; Days to >50 Copies=7; Days to >1000 Copies=7; Days to two consecutive >1000 Copies=7; Duration of ART (from first ART to ATI) (years)=3.1376; Pre-ATI CD4 cells/mm3=872; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=45; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_74.raw SUBJECT_SAMPLE_FACTORS 281047 76 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=64; Days to >50 Copies=21; Days to >1000 Copies=29; Days to two consecutive >1000 Copies=29; Duration of ART (from first ART to ATI) (years)=1.0513; Pre-ATI CD4 cells/mm3=799; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=40; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_76.raw SUBJECT_SAMPLE_FACTORS 281262 78 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=511; Days to >50 Copies=14; Days to >1000 Copies=42; Days to two consecutive >1000 Copies=42; Duration of ART (from first ART to ATI) (years)=0.9966; Pre-ATI CD4 cells/mm3=5904; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=25; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_78.raw SUBJECT_SAMPLE_FACTORS 14574 81 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=308; Days to >50 Copies=56; Days to >1000 Copies=70; Days to two consecutive >1000 Copies=70; Duration of ART (from first ART to ATI) (years)=2.8884; Pre-ATI CD4 cells/mm3=845; Source ACTG study=A5187; Age at start of analytical treatment interuption (ATI) in years=40; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_81.raw SUBJECT_SAMPLE_FACTORS 14869 84 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=307; Days to >50 Copies=13; Days to >1000 Copies=13; Days to two consecutive >1000 Copies=13; Duration of ART (from first ART to ATI) (years)=1.6728; Pre-ATI CD4 cells/mm3=789; Source ACTG study=A5187; Age at start of analytical treatment interuption (ATI) in years=37; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_84.raw SUBJECT_SAMPLE_FACTORS 911002 88 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=300; Days to >50 Copies=13; Days to >1000 Copies=27; Days to two consecutive >1000 Copies=27; Duration of ART (from first ART to ATI) (years)=3.2334; Pre-ATI CD4 cells/mm3=784; Source ACTG study=A5187; Age at start of analytical treatment interuption (ATI) in years=37; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_88.raw SUBJECT_SAMPLE_FACTORS 44741 91 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=463; Days to >50 Copies=69; Days to >1000 Copies=-; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=4.8131; Pre-ATI CD4 cells/mm3=882; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=51; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_91.raw SUBJECT_SAMPLE_FACTORS 72962 94 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=342; Days to >50 Copies=28; Days to >1000 Copies=41; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=5.9603; Pre-ATI CD4 cells/mm3=988; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=47; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_94.raw SUBJECT_SAMPLE_FACTORS 83281 99 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=684; Days to >50 Copies=27; Days to >1000 Copies=55; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=5.41; Pre-ATI CD4 cells/mm3=1380; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=37; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_99.raw SUBJECT_SAMPLE_FACTORS 111836 102 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=420; Days to >50 Copies=48; Days to >1000 Copies=111; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=14.1574; Pre-ATI CD4 cells/mm3=885; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=51; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_102.raw SUBJECT_SAMPLE_FACTORS 220951 108 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Followed for how many days after tretament interuption=667; Days to >50 Copies=92; Days to >1000 Copies=-; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=10.1739; Pre-ATI CD4 cells/mm3=1142; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=50; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_108.raw SUBJECT_SAMPLE_FACTORS 281154 111 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:White Followed for how many days after tretament interuption=455; Days to >50 Copies=9; Days to >1000 Copies=414; Days to two consecutive >1000 Copies=414; Duration of ART (from first ART to ATI) (years)=4.1916; Pre-ATI CD4 cells/mm3=897; Source ACTG study=A5024; Age at start of analytical treatment interuption (ATI) in years=43; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_111.raw SUBJECT_SAMPLE_FACTORS 291206 114 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=670; Days to >50 Copies=86; Days to >1000 Copies=670; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=3.4114; Pre-ATI CD4 cells/mm3=688; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=33; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_114.raw SUBJECT_SAMPLE_FACTORS 321568 119 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Followed for how many days after tretament interuption=763; Days to >50 Copies=6; Days to >1000 Copies=210; Days to two consecutive >1000 Copies=342; Duration of ART (from first ART to ATI) (years)=4.9665; Pre-ATI CD4 cells/mm3=748; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_119.raw SUBJECT_SAMPLE_FACTORS 373734 125 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=669; Days to >50 Copies=669; Days to >1000 Copies=-; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=7.1157; Pre-ATI CD4 cells/mm3=445; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_125.raw SUBJECT_SAMPLE_FACTORS 461607 128 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=331; Days to >50 Copies=35; Days to >1000 Copies=49; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=3.373; Pre-ATI CD4 cells/mm3=760; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=35; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_128.raw SUBJECT_SAMPLE_FACTORS 580615 130 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=778; Days to >50 Copies=43; Days to >1000 Copies=49; Days to two consecutive >1000 Copies=49; Duration of ART (from first ART to ATI) (years)=5.5715; Pre-ATI CD4 cells/mm3=940; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=42; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_130.raw SUBJECT_SAMPLE_FACTORS 620671 132 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=787; Days to >50 Copies=727; Days to >1000 Copies=727; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=12.9856; Pre-ATI CD4 cells/mm3=416; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_132.raw SUBJECT_SAMPLE_FACTORS 621211 136 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=568; Days to >50 Copies=47; Days to >1000 Copies=447; Days to two consecutive >1000 Copies=447; Duration of ART (from first ART to ATI) (years)=3.0527; Pre-ATI CD4 cells/mm3=855; Source ACTG study=A5024; Age at start of analytical treatment interuption (ATI) in years=37; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_136.raw SUBJECT_SAMPLE_FACTORS 621422 140 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Followed for how many days after tretament interuption=772; Days to >50 Copies=-; Days to >1000 Copies=261; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=6.3518; Pre-ATI CD4 cells/mm3=886; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_140.raw SUBJECT_SAMPLE_FACTORS 13629 143 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=301; Days to >50 Copies=42; Days to >1000 Copies=42; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=4.7009; Pre-ATI CD4 cells/mm3=396; Source ACTG study=A5187; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_143.raw SUBJECT_SAMPLE_FACTORS 13751 146 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=782; Days to >50 Copies=41; Days to >1000 Copies=56; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=0.9938; Pre-ATI CD4 cells/mm3=731; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=39; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_146.raw SUBJECT_SAMPLE_FACTORS 43632 149 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=172; Days to >50 Copies=13; Days to >1000 Copies=-; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=1.8617; Pre-ATI CD4 cells/mm3=825; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=36; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_149.raw SUBJECT_SAMPLE_FACTORS 72542 150 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=791; Days to >50 Copies=92; Days to >1000 Copies=92; Days to two consecutive >1000 Copies=253; Duration of ART (from first ART to ATI) (years)=0.9966; Pre-ATI CD4 cells/mm3=1076; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=30; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_150.raw SUBJECT_SAMPLE_FACTORS 82905 154 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=744; Days to >50 Copies=183; Days to >1000 Copies=266; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=1.0349; Pre-ATI CD4 cells/mm3=850; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=36; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_154.raw SUBJECT_SAMPLE_FACTORS 111669 156 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Followed for how many days after tretament interuption=794; Days to >50 Copies=13; Days to >1000 Copies=-; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=1.0185; Pre-ATI CD4 cells/mm3=509; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=22; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_156.raw SUBJECT_SAMPLE_FACTORS 621213 159 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=759; Days to >50 Copies=167; Days to >1000 Copies=-; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=1.0048; Pre-ATI CD4 cells/mm3=891; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=47; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_159.raw SUBJECT_SAMPLE_FACTORS 72975 162 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=294; Days to >50 Copies=45; Days to >1000 Copies=45; Days to two consecutive >1000 Copies=45; Duration of ART (from first ART to ATI) (years)=4.4216; Pre-ATI CD4 cells/mm3=1264; Source ACTG study=A5187; Age at start of analytical treatment interuption (ATI) in years=34; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_162.raw SUBJECT_SAMPLE_FACTORS 272376 164 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Followed for how many days after tretament interuption=670; Days to >50 Copies=30; Days to >1000 Copies=54; Days to two consecutive >1000 Copies=54; Duration of ART (from first ART to ATI) (years)=5.744; Pre-ATI CD4 cells/mm3=1246; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=45; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_164.raw SUBJECT_SAMPLE_FACTORS 263478 167 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=81; Days to >50 Copies=18; Days to >1000 Copies=18; Days to two consecutive >1000 Copies=18; Duration of ART (from first ART to ATI) (years)=4.5558; Pre-ATI CD4 cells/mm3=1181; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=61; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_167.raw SUBJECT_SAMPLE_FACTORS 43640 168 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=698; Days to >50 Copies=12; Days to >1000 Copies=12; Days to two consecutive >1000 Copies=12; Duration of ART (from first ART to ATI) (years)=1.2183; Pre-ATI CD4 cells/mm3=1713; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=33; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_168.raw SUBJECT_SAMPLE_FACTORS 321675 171 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=48; Days to >50 Copies=6; Days to >1000 Copies=6; Days to two consecutive >1000 Copies=6; Duration of ART (from first ART to ATI) (years)=1.0021; Pre-ATI CD4 cells/mm3=759; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=20; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_171.raw SUBJECT_SAMPLE_FACTORS 520705 173 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=572; Days to >50 Copies=25; Days to >1000 Copies=25; Days to two consecutive >1000 Copies=25; Duration of ART (from first ART to ATI) (years)=1.5332; Pre-ATI CD4 cells/mm3=653; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=50; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_173.raw SUBJECT_SAMPLE_FACTORS 182676 175 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=225; Days to >50 Copies=15; Days to >1000 Copies=22; Days to two consecutive >1000 Copies=22; Duration of ART (from first ART to ATI) (years)=1.7413; Pre-ATI CD4 cells/mm3=846; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=41; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_175.raw SUBJECT_SAMPLE_FACTORS 520731 178 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=86; Days to >50 Copies=7; Days to >1000 Copies=56; Days to two consecutive >1000 Copies=56; Duration of ART (from first ART to ATI) (years)=1.1718; Pre-ATI CD4 cells/mm3=1435; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=44; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_178.raw SUBJECT_SAMPLE_FACTORS 610802 180 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=790; Days to >50 Copies=27; Days to >1000 Copies=41; Days to two consecutive >1000 Copies=41; Duration of ART (from first ART to ATI) (years)=1.3005; Pre-ATI CD4 cells/mm3=852; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=46; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_180.raw SUBJECT_SAMPLE_FACTORS 83221 182 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=671; Days to >50 Copies=165; Days to >1000 Copies=277; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=4.3751; Pre-ATI CD4 cells/mm3=987; Source ACTG study=A5170; Age at start of analytical treatment interuption (ATI) in years=45; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_182.raw SUBJECT_SAMPLE_FACTORS 213258 183 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=764; Days to >50 Copies=31; Days to >1000 Copies=38; Days to two consecutive >1000 Copies=38; Duration of ART (from first ART to ATI) (years)=3.7481; Pre-ATI CD4 cells/mm3=904; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=33; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_183.raw SUBJECT_SAMPLE_FACTORS 321589 185 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Followed for how many days after tretament interuption=797; Days to >50 Copies=49; Days to >1000 Copies=55; Days to two consecutive >1000 Copies=55; Duration of ART (from first ART to ATI) (years)=6.7159; Pre-ATI CD4 cells/mm3=903; Source ACTG study=A5068; Age at start of analytical treatment interuption (ATI) in years=42; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_185.raw SUBJECT_SAMPLE_FACTORS 281028 189 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=902; Days to >50 Copies=68; Days to >1000 Copies=497; Days to two consecutive >1000 Copies=-; Duration of ART (from first ART to ATI) (years)=1.0021; Pre-ATI CD4 cells/mm3=1219; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=29; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_189.raw SUBJECT_SAMPLE_FACTORS 281060 192 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=788; Days to >50 Copies=20; Days to >1000 Copies=27; Days to two consecutive >1000 Copies=341; Duration of ART (from first ART to ATI) (years)=1.0924; Pre-ATI CD4 cells/mm3=687; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=19; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_192.raw SUBJECT_SAMPLE_FACTORS 610737 196 Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=454; Days to >50 Copies=13; Days to >1000 Copies=331; Days to two consecutive >1000 Copies=331; Duration of ART (from first ART to ATI) (years)=0.9993; Pre-ATI CD4 cells/mm3=1056; Source ACTG study=A371; Age at start of analytical treatment interuption (ATI) in years=44; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_196.raw SUBJECT_SAMPLE_FACTORS 60885 200 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=474; Days to >50 Copies=13; Days to >1000 Copies=20; Days to two consecutive >1000 Copies=20; Duration of ART (from first ART to ATI) (years)=13.859; Pre-ATI CD4 cells/mm3=685; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=43; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_200.raw SUBJECT_SAMPLE_FACTORS 541433 203 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=84; Days to >50 Copies=14; Days to >1000 Copies=22; Days to two consecutive >1000 Copies=22; Duration of ART (from first ART to ATI) (years)=2.9678; Pre-ATI CD4 cells/mm3=850; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=43; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_203.raw SUBJECT_SAMPLE_FACTORS 541237 205 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Followed for how many days after tretament interuption=329; Days to >50 Copies=7; Days to >1000 Copies=14; Days to two consecutive >1000 Copies=14; Duration of ART (from first ART to ATI) (years)=3.3977; Pre-ATI CD4 cells/mm3=1010; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=43; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_205.raw SUBJECT_SAMPLE_FACTORS 272669 208 Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Followed for how many days after tretament interuption=62; Days to >50 Copies=20; Days to >1000 Copies=20; Days to two consecutive >1000 Copies=20; Duration of ART (from first ART to ATI) (years)=11.2827; Pre-ATI CD4 cells/mm3=800; Source ACTG study=A5197; Age at start of analytical treatment interuption (ATI) in years=52; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_208.raw SUBJECT_SAMPLE_FACTORS NA QC1-2 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-2.raw SUBJECT_SAMPLE_FACTORS NA QC1-3 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-3.raw SUBJECT_SAMPLE_FACTORS NA QC1-4 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-4.raw SUBJECT_SAMPLE_FACTORS NA QC1-5 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-5.raw SUBJECT_SAMPLE_FACTORS NA QC1-6 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-6.raw SUBJECT_SAMPLE_FACTORS NA QC1-7 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-7.raw SUBJECT_SAMPLE_FACTORS NA QC1-8 Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Followed for how many days after tretament interuption=NA; Days to >50 Copies=NA; Days to >1000 Copies=NA; Days to two consecutive >1000 Copies=NA; Duration of ART (from first ART to ATI) (years)=NA; Pre-ATI CD4 cells/mm3=NA; Source ACTG study=NA; Age at start of analytical treatment interuption (ATI) in years=NA; Sex=Sex; RAW_FILE_NAME=Abdel-Mohsen_QC1-FullMS-8.raw #COLLECTION CO:COLLECTION_SUMMARY Analyses were performed from banked plasma samples of two different cohorts that CO:COLLECTION_SUMMARY underwent analytical treatment interruption (ATI): (1) Philadelphia Cohort and CO:COLLECTION_SUMMARY (2) ACTG cohort. In the Philadelphia cohort, HIV+ individuals on suppressive ART CO:COLLECTION_SUMMARY underwent an open-ended ATI without concurrent immunomodulatory agents. The ACTG CO:COLLECTION_SUMMARY cohort combined 74 HIV-infected ART-suppressed participants who underwent ATI CO:COLLECTION_SUMMARY from six ACTG ATI studies (ACTG 371,28 A5024,29 A5068,30 A5170,31 A5187,32 and CO:COLLECTION_SUMMARY A519733). 27 of these 74 individuals exhibited a PTC phenotype post-ATI, i.e. CO:COLLECTION_SUMMARY these individuals remained off ART for ≥24 weeks post-treatment interruption, CO:COLLECTION_SUMMARY sustained virologic control for at least 24 weeks, maintained viral load (VL) CO:COLLECTION_SUMMARY ≤400 copies for at least 2/3 of time points, had plasma drug level testing CO:COLLECTION_SUMMARY performed, and had no evidence of spontaneous control pre-ART. The remaining 47 CO:COLLECTION_SUMMARY cohort members were non-controllers (NCs) who exhibited virologic rebound before CO:COLLECTION_SUMMARY meeting PTC criteria. These two groups were matched for gender, age, % treated CO:COLLECTION_SUMMARY at the early stage of HIV infection, ART duration, pre-ATI CD4 count, and CO:COLLECTION_SUMMARY ethnicity. All analyses were performed on samples collected immediately before CO:COLLECTION_SUMMARY ATI in both cohorts. CO:SAMPLE_TYPE Blood (plasma) #TREATMENT TR:TREATMENT_SUMMARY No treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Briefly, polar metabolites were extracted from 50 µl plasma samples with 500 SP:SAMPLEPREP_SUMMARY µl ice-cold 80% methanol, and deproteinated supernatants were stored at -80 °C SP:SAMPLEPREP_SUMMARY prior to analysis. A quality control (QC) sample was generated by pooling equal SP:SAMPLEPREP_SUMMARY volumes of all samples after extraction. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Hydrophilic interaction liquid chromatography (HILIC) was performed at 0.2 CH:CHROMATOGRAPHY_SUMMARY ml/min on a ZIC-pHILIC column (2.1 mm × 150 mm, EMD Millipore) at 45 °C. CH:CHROMATOGRAPHY_SUMMARY Solvent A was 20 mM ammonium carbonate, 0.1% ammonium hydroxide, pH 9.2, and CH:CHROMATOGRAPHY_SUMMARY solvent B was acetonitrile. The gradient was 85% B for 2 min, 85% B to 20% B CH:CHROMATOGRAPHY_SUMMARY over 15 min, 20% B to 85% B over 0.1 min, and 85% B for 8.9 min. The autosampler CH:CHROMATOGRAPHY_SUMMARY was held at 4 °C. For each analysis, 4 µl of sample was injected. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME SeQuant ZIC- pHILIC (150 x 2.1mm, 5um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF-X Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The following parameters were used for the MS analysis: sheath gas flow rate, MS:MS_COMMENTS 40; auxiliary gas flow rate, 10; sweep gas flow rate, 1; auxiliary gas heater MS:MS_COMMENTS temperature, 350 °C; spray voltage, 3.5 kV for positive mode and 3.2 kV for MS:MS_COMMENTS negative mode; capillary temperature, 325 °C; and funnel RF level, 40. All MS:MS_COMMENTS samples were analyzed by full MS with polarity switching. The QC sample was MS:MS_COMMENTS analyzed at the start of the sample sequence and after every 8-14 samples. The MS:MS_COMMENTS QC sample was also analyzed by data-dependent MS/MS with separate runs for MS:MS_COMMENTS positive and negative ion modes. Full MS scans were acquired at 120,000 MS:MS_COMMENTS resolution with a scan range of 65-975 m/z. Data-dependent MS/MS scans were MS:MS_COMMENTS acquired for the top 10 highest intensity ions at 15,000 resolution with an MS:MS_COMMENTS isolation width of 1.0 m/z and stepped normalized collision energy of 20-40-60. MS:MS_COMMENTS Data analysis was performed using Compound Discoverer 3.1 (ThermoFisher MS:MS_COMMENTS Scientific) with separate analyses for positive and negative polarities. MS:MS_COMMENTS Retention time alignment used the adaptative curve model with 0.3 min maximum MS:MS_COMMENTS shift, 5 ppm mass tolerance, and 3 S/N threshold. Peak detection required less MS:MS_COMMENTS than 5 ppm mass error for extracted ion chromatograms with a 50,000 minimum peak MS:MS_COMMENTS intensity. [M+H]+1 and [M-H]-1 were set as base ions with consideration for MS:MS_COMMENTS other adducts. Peaks were required to have a width at half height less than 0.5 MS:MS_COMMENTS min and a minimum of 5 scans. Components that had only a monoisotopic peak and MS:MS_COMMENTS no further isotopes were not considered. The maximum element count for isotope MS:MS_COMMENTS pattern modeling was C90H190N10Na2O15P3S5. Compounds were grouped across samples MS:MS_COMMENTS with 5 ppm mass error and 0.3 min retention time shift. Peaks not detected MS:MS_COMMENTS initially in a given sample were determined using the fill gaps algorithm with 5 MS:MS_COMMENTS ppm mass error and 1.5 S/N threshold with real peak detection. The gap function MS:MS_COMMENTS uses a priority system to determine missing values: 1) matching detected ions MS:MS_COMMENTS based on expected m/z and retention time regardless of adduct assignment, 2) MS:MS_COMMENTS re-detecting peaks at lower thresholds, 3) simulating peaks based on expected MS:MS_COMMENTS m/z, and 4) imputing spectrum noise based on detection limit values. Compound MS:MS_COMMENTS quantifications were corrected for instrument drift by QC areas using the cubic MS:MS_COMMENTS spline regression model. Each compound was required to be detected in at least MS:MS_COMMENTS 40% of QC runs with an RSD less than 50%. Metabolites were identified by MS:MS_COMMENTS accurate mass (5 ppm mass error) and retention time (0.5 min shift) using a MS:MS_COMMENTS database generated from pure standards or by accurate mass and MS2 spectra using MS:MS_COMMENTS the mzCloud spectral database (mzCloud.org), specifically the ‘Endogenous MS:MS_COMMENTS Metabolites’ and ‘Steroids/Vitamins/Hormones’ compound classes, and MS:MS_COMMENTS selecting the best matches with HighChem HighRes identity search match factors MS:MS_COMMENTS of 50 or greater. Results were manually processed to remove entries with MS:MS_COMMENTS apparent peak mis-integrations and correct commonly misannotated metabolites. MS:MS_COMMENTS Positive and negative data sets of identified compounds were merged, and the MS:MS_COMMENTS preferred polarity was selected for compounds identified in both polarities. MS:MS_COMMENTS Compound quantifications were normalized per volume plasma injected, which was MS:MS_COMMENTS equivalent for all samples. Values from the ACTG study were further normalized MS:MS_COMMENTS to the summed area of identified metabolites in each sample. For compounds MS:MS_COMMENTS identified multiple times at different retention times, a single entry was MS:MS_COMMENTS selected with priority given to standards database matches followed by greater MS:MS_COMMENTS mzCloud match factors and peak areas. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Area MS_METABOLITE_DATA_START Samples 1 4 6 9 10 13 16 17 20 23 28 30 32 34 37 40 42 43 45 47 50 53 56 58 63 66 69 71 74 76 78 81 84 88 91 94 99 102 108 111 114 119 125 128 130 132 136 140 143 146 149 150 154 156 159 162 164 167 168 171 173 175 178 180 182 183 185 189 192 196 200 203 205 208 QC1-2 QC1-3 QC1-4 QC1-5 QC1-6 QC1-7 QC1-8 Factors Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:F | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:F | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:Black Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):2 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:Hispanic Non controllers (NC=1) or post-treatment controller (PTC=2):1 | Gender:M | Race/ethnicity:White Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA Non controllers (NC=1) or post-treatment controller (PTC=2):NA | Gender:NA | Race/ethnicity:NA (1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0Â?,â·]dodecan]-5'-en-4'-one 78508544.82 125143289.3 71109074.24 109243647.4 54117148.2 70968714.28 54797505.35 70143361.46 120759427.3 106327257.5 101255461.8 197981011.6 98378566.49 69567533.87 41357317.6 87562573.13 43701131.03 64507562.75 101269415.3 54283569.24 96442098.38 121921497.3 50970450.09 128816236.5 41408518.41 73722301.87 55738345.13 65794310.11 75604255.84 99509881.91 147222930.7 39193846.16 72647645.42 90944922.98 18785918.89 81157674.84 59258957.91 63408482.97 121444187.4 118278710.8 119641958.9 83442544.79 104709406.1 132972432.7 105439613.7 72265221.25 97823162.36 148019996 143640857.4 75643733.63 126121884.8 76317062.36 51363564.8 56663796.57 38520582.51 38884241.88 76546653.83 50718451.06 43771503.69 54761293.63 39220676.18 53630852.96 74870654.14 92369153.27 49529321.25 91473502.06 52846589.65 47913313.44 43379743.97 22113553.18 34317525.49 162919720 17239749.34 120294703.2 56507679.19 51212081.74 55859820.44 56731357.11 49779716.28 54695136.61 55597827.77 (2R)-2,3-Dihydroxypropanoic acid 13775555.1 28760203.78 1090288.407 16238937.02 1094669.346 1007302.144 46429662.5 187213.0094 1491253.359 48283412.9 1879710.739 57118665.14 51107752.05 998293.0057 27050213.96 29214502.36 18282049.84 4700005.289 22806255.42 32079369.69 74963573.57 91283631.47 1129707.463 4946301.838 499191.2619 1227034.471 387972.1372 4249199.551 1212860.189 114018428.3 17556307.81 738256.556 1692966.862 37089197.81 35537666.57 55026007.23 612035.6455 53141219.61 77192031.7 107605585.5 468833.9233 107583584.4 826656.2245 68279087.6 84949763.12 29402985.73 2878212.281 14731469.19 39304844.64 3210342.627 655260.1295 23457051.46 1884591.365 993191.574 488896.6173 29076234.21 472157.716 85757208.05 732917.2732 1005642.954 1143238.152 1123123.558 542879.7259 130228219.4 489387.1384 12746717.66 4896016.477 377588.047 4300929.078 1134946.116 30691380.3 20936150.54 11393670.8 42632149.06 30740496.47 25540121.12 25769112.47 28586671.12 29561205.12 27448322.14 28047519.14 1,5-Anhydro-D-glucitol 359660540.2 356456243.4 211038136.1 558548230.9 397985445.4 181334046.5 189315495.1 82872030.9 225409221.4 440272307.4 253578673 453544055.4 273455753 354587955.3 60723730.77 355035682.1 143758062.1 196827028.5 225252069.4 210671596.3 363387215.8 289353991.3 172916121.1 196662551.9 175400802.7 146474498.5 209557841.2 127523173.9 178704501.5 172185926 325233553.5 85164875.11 421679802.8 176724219.8 120604293.9 204310287.2 373662731.1 401660781.1 281467446 331470865.1 274143231.8 250466755.6 80269901.53 217606104.9 188949313 326838492.9 490689901.6 324712339.1 340768910.8 143643561.3 188351521.6 277629417.5 144715142.7 130041422.3 165928312.6 229092130.5 127650533.9 329676627.4 202374532.9 230472991.8 196095487.7 147486920.1 173875415.5 92711600.95 184370108.8 383032948.1 215647564.9 169773687.8 218966930.5 184911821.1 239978720.2 700171194.4 322419704.7 80810983.86 233501897.6 246777342.5 233130418.7 233453477.8 240225346.2 231376860.1 239645985.5 1,7-Dimethyluric acid 7918636.104 685801.568 16638460.33 12200833.73 12770489.82 15319303.12 17916924.49 8576899.187 76786158.99 3973330.747 1699806.891 3487642.787 2279224.712 19626975.6 7061793.687 1620816.268 14459486.41 7252265.893 2010245.601 16678569.35 22360959.39 14424106.82 3860813.598 2005775.369 13839544.67 1673342.639 1454020.54 7315854.861 8420189.894 25778772.26 9622661.256 10296570.53 18712754.42 51888844.83 3525796.473 7740700.611 9434790.915 7716542.798 8167910.86 4437634.832 19065689.41 491213.6756 4332157.216 5498551.741 22616021.82 2400587.239 1828607.322 5967968.875 7251149.923 1332099.394 10762483.6 11257205.96 10409082.82 1282902.815 1513971.422 4674546.697 7926446.244 6156622.939 399119.1829 2138323.919 13720308.43 3215401.794 9997747.45 3355152.624 6778225.465 11743046.06 27801170.72 11508884.02 17719433.93 8484173.634 3736765.938 10374918.32 829298.4677 32971048.05 9098412.176 8340235.604 8040084.122 8021615.434 9385459.421 8891556.664 8239543.207 13,14-Dihydro-15-keto Prostaglandin A2 2690475.427 4530943.937 3533057.421 12892827.88 4752251.263 612277.1932 11971042.08 249745.7723 385506.0618 630528.3543 393123.8059 204988.9933 1145154.204 12766986.06 194931.1546 229861.1071 461150.9345 547670.7685 235457.6197 2318226.203 2884799.145 7954964.475 421001.2919 5243603.444 5172986.19 981615.719 148739.1845 366407.7635 480596.5523 18282641.7 562465.2039 3631960.187 29821081.35 10490256.88 714429.2989 2801350.615 257323.0308 400882.8876 2168126.779 1475263.309 2582006.174 286648.9512 5445954.328 207459.6508 439412.1362 3525532.704 503078.5946 261813.3838 9591962.966 383542.7121 213593.7212 726126.8437 904586.5091 642841.2132 607186.6479 541275.1975 363245.1102 6100559.91 259621.8547 389603.2186 5114303.185 363694.5106 841434.7836 3491871.318 1863118.553 778845.633 5179686.017 6798082.11 3281867.926 5468362.302 525656.7073 3027572.343 315612.8141 14542255.35 2544737.911 2576190.909 2417455.588 2809769.534 2733660.233 2526644.603 2431482.69 16-Hydroxyhexadecanoic acid 438892820.6 435668888.6 674722638.9 70309965.58 552891887.5 428452337.8 167071493.6 1490512805 1000488240 321416044.3 546819597.7 288756602.6 205805523.7 673951412.4 367556521.8 739098564 613373243 198871647.6 227486081.9 765140761.5 394251651.5 156600770.3 150407253.6 65153418.48 42655319.97 111485534.2 121573549.8 359906246.3 156235303.6 156317391.6 195528271.8 362435385.9 190577936.9 325621107.5 394552774.1 323721378.2 700769302 104601318.3 365578644.1 817107573.5 589214398 593166630.1 375717701.8 260679594.3 226834813.8 423183675.5 178574576.1 730958244.9 170423336.7 465057410.5 111512264.9 688283447.9 63122066.51 313101331.5 92902657 159101133.7 127628059.1 192536525.4 88882325.68 41117113.06 78038689.04 522843500.8 802941160.8 121905203.7 271818211.9 554633598.9 57848583.27 454784428.7 205347804.3 157536944.8 78562610.62 272165586.6 388355188.4 153565373.2 320295957.7 330157984.1 315185000.9 344436907.9 327853459.9 320183082 320599339.7 1-Methylnicotinamide 6126066.812 21263504.51 22571225.33 12289687.73 6272264.212 124020088 3446562.682 8180727.199 20362239.74 27446380.05 99327934.61 10957914.91 82699854.4 3017040.058 9179362.577 61509974.55 12366482.33 940372.0601 8437078.604 10573229.18 4448770.524 11591568.1 3203524.864 4995245.27 3480267.52 8582805.983 3533108.996 5450479.956 1318006.91 5699517.995 43673373.78 16752968.61 4337483.338 10365819.89 21523682.66 4692381.09 6409603.108 23416133.27 4137659.049 12612093.92 27414004.54 19800025.5 6267797.952 2766640.239 6636306.325 18056267.66 8156814.608 10773832.51 8918710.623 10823715.87 3554076.125 4249276.828 9624549.76 2500503.255 7373136.815 4889136.41 67470548.27 11502822.13 11327014.93 2688427.473 39920273.08 7790305.759 488259590.8 350513971.2 38400016.4 14601987.74 156050097.4 11535199.62 7096173.642 11545744.42 29111381.94 14491606 6099677.209 80622603.74 25959858.29 25195236.5 27931698.44 27104004.78 26992845.87 29484888.47 22955091.87 1-Nitrosopiperidine (NPIP) 107972469.4 98186574.82 118644215.8 101980939 137245466.8 86874549.12 119751559.1 92627575.33 64550177.26 129720022.2 89985567.66 114721179.7 123557649.2 98617348.06 91620953.45 76886856.04 127015108.5 157311010.5 103465780.4 128976015.7 99711517.16 124947775 76189466.36 63635301.36 82942754.18 38832266.24 63874946.15 90092408.01 82642988.46 85637283.9 168021310 130603033.4 125243536.2 88378544.08 95838742.17 98324069.91 118344890.9 106568056 128718059.6 138066854.3 128249009.4 95152737.7 109008985.6 100348992.7 105782931.6 146813382.8 114650779.4 108687886.7 92840663.23 58890357.57 91793183.66 92656074.15 90589468.15 69767013.58 85435566.75 154162670.2 95378137.55 67357396.49 69509420.19 73885283.65 61635276.73 65683414.64 54189835.49 130153311.2 126656217.9 140008196.5 94835365.44 108837951.5 93552059.46 121739739.9 88694360.6 79281654.18 74422923.51 101247155.7 92524450.18 81205550.69 106636297.3 100665930.4 96390329.24 91663844.09 89588799.59 2,2-Dimethylsuccinic acid 527338.9512 801509.7086 379517.7605 323255.6745 346082.5372 437312.7759 995374.68 484559.3907 373741.9312 426428.0265 442250.9366 1163222.075 1407375.933 1270931.983 848523.4944 469829.1891 472180.7026 1028243.511 1030289.257 400897.691 717872.4854 1751838.822 6434627.66 8949078.21 4772557.174 4341191.048 2895091.03 6707831.37 1378813.762 459766.413 486361.1198 918048.1149 863270.8577 1445228.965 1261015.405 708591.9187 525156.3575 930550.1237 694398.7741 823002.3355 421044.5397 644907.9953 489370.5344 712901.3817 1799669.905 912398.5164 428711.0114 2044881.195 2043779.31 3900280.927 2284491.045 1207856.233 6595645.07 2374937.106 1587556.407 1136098.543 375225.3496 1213788.528 10794033.2 4483466.059 5587616.073 6988048.525 6141768.712 538812.2781 814344.9516 2276785.345 2464877.886 1387005.941 2084637.362 1764182.012 1763016.725 1159628.768 1798644.065 1273985.464 1106881.694 2000406.823 1138383.329 1851445.563 3022239.433 1780173.143 868294.1221 2,4-Dihydroxybenzoic acid 7062372.929 4858016.117 8448420.723 13302331.17 25917857.15 13260181.83 11499164.76 8582440.92 2289659.086 6207424.22 4669230.021 4762451.143 27577340.75 11523592.21 1356390.439 4463105.095 28895510.06 3133982.257 4906093.252 4319668.561 4637006.397 3789186.753 4566847.887 6557204.185 14493911.56 3103044.65 6206418.118 4667283.522 3064822.69 5354287.72 11174282.33 3803341.752 11184060.85 7342812.771 15547549.87 10987297.5 18063274.29 10359975.3 5672848.91 5285249.152 17706228.75 12318171.15 11881874.71 3955901.121 7050320.601 6647468.452 3640355.267 3578312.094 2514303.491 5099047.508 3255993.757 11788476.75 8156464.765 4299181.562 10147747.6 4075894.843 13652898.21 2557358.584 4677527.873 4382026.479 12551457.01 2639938.602 3367636.931 15142927.37 9792807.711 11941642 13538523.76 28522483.14 15197039.6 13497059.58 9313852.061 1870142.136 1329868.204 34627367.05 9237692.92 6917391.335 8701810.873 8876697.497 8726816.538 8757355.701 7957520.699 2-Furoylglycine 4641317.589 228622.4901 2064768.603 40141378.35 981831.8739 301519.8191 16460199.86 223534.4172 220526.0294 177988.7163 169810.5527 223270.6259 850150.1492 18543261.85 370464.0083 245480.594 293785.043 243720.0351 277400.4321 149860.4695 8109745.351 17766129.42 1254541.937 82305809.28 4961878.191 670606.091 647266.2382 320648.4475 148197.0996 3012295.723 1011308.672 9397658.916 3595346.541 120519358.9 615248.8461 1852023.591 202018.8894 681526.5975 463634.6084 346914.5465 1170848.692 599645.6723 192786.1157 1276016.441 1366607.285 324933.3047 365009.9998 134748.1811 2549698.64 408712.2322 1299462.441 225010.6006 530053.0706 533154.2111 1190336.637 462852.0316 3144097.398 24470810.73 553539.0272 6360833.001 1286036.12 198237.1903 338563.4581 2660768.57 1102566.154 204698.5092 6881443.595 3090993.359 431674.8689 24804000.6 233487.3535 6792249.408 394266.4893 28661345.5 5337335.285 4941681.812 5162351.505 5203219.633 5374274.882 4889173.125 5270052.703 2-Hydroxy-3-methylbutyric acid 77496376.22 86169341.74 115568847.9 88530872.78 96229704.55 66968874.64 81326344.4 262904789.3 88040643.33 94974980.93 53390894.57 158605068.8 102120091.6 182731933.6 169172547.9 165228281.7 140902215.5 229338870.4 336448501.2 5806346.749 84114227.06 469320424.4 49123746.75 43417404.25 31099579.51 84133611.32 62674251.55 70126761.75 46884923.74 113232797.2 66368090.28 127686234.6 52386507.86 90460210.57 110498848.2 65216725.15 115668985.9 39458856.69 67260944.52 75786428.6 82425327.09 1550831299 79187195.53 80837153.6 50485742.98 72970258.78 137791362.6 132624414.7 125651041.6 86984846.49 65911835.76 649824886.7 60687877.91 165603421.7 176950115.3 59814101.31 36423276.41 28566116.98 57187598.87 123146383.1 61874674.69 220856799.3 47815893.05 151230275.9 78924468.59 108024062.2 96161130.06 77517222.86 129832883.2 102663316 69786729.65 130700737.3 181965427.4 106862833.3 120437058.3 162067956.6 131821932.5 127398109.7 132675989.3 136680648.7 135874963 2-Hydroxy-3-methylbutyric acid_2 14066308.89 19081841.04 18723920.83 26334321.33 46927422.28 14538486.23 26609454.41 61949605.54 21699766.25 28720068.65 16509161.37 23744955.79 23143126.49 41031573.52 86720577.48 35904811.32 25058456.33 26228688.75 64112326.34 12277372.48 12828940.88 172146468 13508590.98 13537330.92 6147266.213 10237689.77 14611979.55 14653012.75 9523357.693 25636609.75 12630727.26 22042510.34 15968044.98 31758400.48 17985453.33 20811177.18 30670404.86 13919270.33 11180124.02 15522110.04 23347441.29 302856407.1 12274625.3 17142490.3 11139201.2 19151968.94 28909791.91 30085001.08 25568995.7 39851944.55 16685421.51 124217565.1 14026447.1 27542032.67 37489541.74 14922557.93 17972196.62 17114626.39 14598701.2 38324389.28 31305763.69 46368785.27 13966524.49 32971351.16 24918728.9 34887885.64 24687719.54 17783750.3 23884882.73 27059744.12 16249510.37 34563143.11 32457467.89 33748375.92 22474077.44 36577259.78 27982279.65 26609616.49 26739553.77 25711972.04 29834896.98 2-Hydroxycinnamic acid 2065132010 2182573244 1457322823 2899416525 1836890888 1610440749 2147206817 1835548001 1952536104 2097645239 1280397489 2366466366 2595146061 1947246748 1918230240 1259462859 2123393061 2454512033 3127634740 1407999432 1803522050 1796253274 1550017194 1553986118 1400534294 764860774.4 1416854149 1486091358 980870332.5 1917945863 2050666711 2435414150 2024402909 1985741264 963734025.6 1879796896 1370323376 2416815225 2031409451 2415514747 1397505611 1357319870 1177592438 2416807459 2576947269 1439046472 2034237796 2182895305 1597076795 1385186869 1357038817 1580186306 1101066625 1608364162 1471325310 1294652299 1927774705 1370076451 1016097198 1109251562 1649211614 1285746018 949516085 2651824919 2145326299 2301551253 2030138733 1418587266 1443929351 1477108664 1958113570 1721527699 2014204211 2123562094 1680814914 1670088881 1789295176 1647072467 1467138898 1743125135 1728900163 3-Furoic acid 67162669.21 69655772.67 56426000.15 51848969.05 38103338.97 52030944.87 66177090.32 53672665.66 43407815.12 87184510.98 78754282.18 80634351.88 94484590.64 54390654.05 80719923.21 102490946.1 70308629.47 73683721.9 95577090.59 63212605.83 88311880.03 94799070.23 2208869336 2412898828 2357606261 2331317733 2497004668 2149302028 2047631891 95529688.16 72958374.21 50476825.57 71126956.42 81958976.3 65321340.87 59567719.06 36031428.81 65910341.57 78838903.52 96844988.98 53787105.62 75238074.8 52540650.75 80171129.6 66930147.54 80632368.16 67283488.09 84544910.49 53777339.4 2653909666 2179920391 78649322.98 2538486194 2210787302 42750308.5 98276441.91 37300591.86 40277666.7 2224940808 2290212739 1844108210 2110816495 2216256328 70836703.75 34505114.66 54276520.19 57879143.19 26088082.93 47876845.3 70291102.35 76709422.49 68015554.3 64614349.24 80042794.4 944331074.3 906601873.3 1063471951 977823117.4 913531284.3 1003465924 926803205.6 3-Hydroxyanthranilic acid 4520701.322 8387252.891 6431075.371 7495533.593 3413188.481 59404367.69 20636978.45 2373728.312 8802373.504 10090467.38 51664320.37 7310594.36 25131962.59 4030450.416 5118213.701 17784732.06 14699581.97 3372349.793 5692040.406 5747245.624 6040784.595 3697032.559 2836629.965 3381151.411 4081921.289 8013313.846 6150715.276 3974610.081 3737345.028 8507956.137 16178670.1 7513401.724 6017634.769 10107286.77 36651443.11 3680686.315 7559224.189 15498167.34 4600655.048 8306947.889 10599749.52 5825744.328 7723883.563 4361066.9 14524079.44 4986540.392 6560524.97 9373080.31 9952908.285 3925974.123 3738969.423 3529573.722 1881169.838 5525140.479 4420577.743 5494276.212 130491018.3 10187564.16 4494008.498 3201978.564 6663363.478 4673955.181 180481664.4 23614462.35 8229683.348 6669437.58 107854960.8 8989054.369 4531015.78 6490985.754 9857351.392 7762659.941 6643302.529 15839504.39 12061091.98 13252951.79 12615668.73 12304384.33 10527807.29 10905999.14 14189339.06 3-Hydroxybutyric acid 220787476.1 106357244.9 125367766.4 91299471.8 551943623.4 211128586.5 111505508.1 118532017.6 607643539.7 113574106.1 348938409.1 250337557.4 57399166.61 355470117.7 827227246.1 348643763.5 156465617.4 310236196.4 246205657.2 2237213329 90073129.94 94319244.22 55514514.87 49130677.39 56240489.48 29862989.16 81317054.19 100248083.9 53637359.93 64603560.39 120725870 144183168.6 141649090.9 95145568.74 256216434.5 133896114.2 106684995.9 91757002.96 130920376.5 118757314.2 103780334.8 2974927177 183116675.8 120739608.7 152380307.5 430925832.3 115828354.2 563028662.3 52200432.81 156919690.5 46010421.73 332195248.2 35385989.75 313769551.6 50668995.53 89786017.33 80609806.32 44045769.72 26953846 28954163.97 64013517.24 543562585.9 497321338.7 162792589.9 167583762 406744820.4 84802506.91 62543207.24 110398582.7 95883490.93 57200085.53 168752128.5 101340275.2 90205911.15 212473057.4 221380057.8 198357009.9 232567427.3 203700606.3 222559383.6 208508971.4 3-Indoxyl sulphate 257338235.3 45617311.77 198471508.1 142015507.9 220804497.2 162250642.1 341023511.4 109955571.4 158203521.2 223060409.2 109017757.7 113049502.4 202953608 66875195.97 89379181.27 545267842.5 608876270.5 527960243.8 134053109.4 99766711.73 220154810.8 147802852.5 413829376 89728779.72 362985941 146877012.9 129539240.4 418920756.2 100676556.1 374478079.8 100321282.6 391893476.3 613224741.9 462312330.6 453237637.8 320885925.4 162366875.1 197506080.6 392528117 175113138.3 96745093.2 6255881.638 353499200 70530653.78 164688266.2 420837052.9 135453132.5 121799011.3 394933071.8 93731631.11 286193363.5 120249826.9 175904955.3 201510031.7 281183530 104268916.8 523003271.8 280163245.3 165286039.9 244429976.1 354967616.1 176471233.9 253719643 189029441.6 293645284 144065232.2 446095755.9 335469247.1 174134220.3 463120973.2 521906918.7 256208264.9 254144843.4 428526812.4 241940082.5 219310668.5 238255055.4 253831023.5 226195298.1 230896168.4 236616786.1 3-Methoxyphenylacetic acid 1724116.628 3503632.997 19815695.62 491461.2697 22684311.29 1002816.522 1865604.766 644032.7794 3071276.436 6443621.835 483347.8293 402675.9796 1302800.727 11003925.81 406717.0201 1116056.895 642963.2566 503775.3233 392880.6905 273767.2734 4241768.867 3926400.805 2817265.092 4647636.174 9116467.107 980169.2283 1524175.466 3263274.172 1277586.195 459038.6887 555383.4301 434892.3071 23643492.87 1352337.458 440595.7176 3170015.097 3397928.642 1656515.059 4214221.107 2100754.766 6795296.776 621060.8631 594076.5537 776904.2932 903670.6775 9712200.326 1279417.494 581187.4707 445780.235 1663956.475 1630895.907 637793.5859 3377449.913 1675893.752 1348823.249 446855.0072 2541256.719 1941033.939 1946410.966 3447422.25 1847508.68 1713233.81 1659048.422 26338181.23 3990235.033 2042102.64 11548825.5 5687044.624 832562.4572 1735855.65 2577776.302 1806452.489 3530144.883 26236139.6 2626788.894 2778803.503 3598435.202 3637895.684 3340349.939 2222755.244 3142641.234 3-Methylcrotonylglycine 20272421.17 25288536.37 20771333.51 24533012.11 16375413.9 16524078.43 30901494.69 21337457.22 22436813.56 20143438.44 27217219.52 24092449.19 29986078.04 18863236.91 22857215.35 27051692.26 39900495.07 24853646.71 21264949.76 15523763.87 25788434.3 34196207.67 197409272.3 23560938.81 20210567.31 17818925.87 42294326.39 32539499.26 18477900.42 28097904.71 24545246.21 17583703.34 19416562.29 31127110.54 27681316.56 25542818.94 23564092.16 23896585.05 27427320.36 30729944.34 22954282.46 24361022.91 22499806.14 20435696.46 25791069.37 29089718.05 28566418.43 21575252.07 15607748.53 23326075.64 29272028.88 22261857.43 25722764.24 22222321.11 19656511.6 34603205.8 167919915 26202607.24 20003381.34 26723714.07 16513417.27 23314594.54 23193989.44 22699249.02 40395459.39 22329967 23307638.64 13851147.89 74521264.76 15591116.07 29103328.03 29838843.81 47267694.14 30768850.96 25972197.52 24857727.83 24073249.27 26937153.01 28069569.31 24967620.2 24403113.3 3-Methylhistidine 150166810.5 549141470.7 1008727338 1128593700 454082189.9 111217666.8 1469468657 60917091.65 1084485342 1712144072 8105727.899 740899480.2 764732785.1 931908221.9 488870594 940293758.9 697155269.2 836808095.1 467560175.6 20892403.7 595569396.4 485874104.6 19735007.74 137387054.3 1065696663 1192094377 966570677.9 2016518823 156873469.5 756382144.1 543509240.9 4741358684 1285661448 2054370952 2209360889 448155968.7 568760376.1 263217100.5 133595431.5 124334078.4 113898936 19177836.69 1781109476 912359144.6 1003513157 1064415337 880661305.9 288107465.6 685399201.8 318448057 313000677.1 196640266.8 1294163910 981914268 359401265.9 139926428.8 1032834206 179984918.1 1049367584 301929132.1 18704097.74 1210190380 22765139.54 2367378290 288025955.2 230206574.1 318650833.9 921690821.7 1542970180 1824545299 42314305.24 733613025.5 235870499.4 930116679.4 910993513.5 789351090.1 865817062.9 764463576.5 842719551.2 846109565.9 876894618.1 3-methylphenylacetic acid 6314736.321 7156100.341 7857179.008 7484264.555 10312745.79 1751391.225 2620984.582 1806089.632 1973196.631 25724799.95 2169099.938 2740381.258 3349449.808 5595175.36 2859706.813 3854861.659 3276929.98 1692638.604 17325971.44 2888320.361 1640576.305 14276198.95 3109307.096 2981012.123 1688691.177 4686295.792 3291195.485 9912640.355 5028405.84 9624724.234 11119757.42 7685248.642 17987954.04 7439289.983 3603093.639 16688295.28 7481117.561 6309088.561 3391701.41 2730428.168 3241087.132 9079267.984 17737528.6 1458714.871 2063255.155 1911280.927 1324256.703 1727204.188 10608851.04 4548069.383 3096443.353 3953856.089 5781880.165 4550797.974 3371894.961 10787832.3 4881180.248 11269970.24 6211648.088 2091426.627 1982338.637 3265368.908 3184788.538 4205077.747 6244688.918 7389098.416 3773586.541 47105339.25 7222642.992 12969165.58 1688154.151 2920088.638 3117621.637 2268960.38 6016663.128 5979080.488 5466739.544 6196567.256 6133298.073 6439823.078 5446314.785 3-Phosphoglyceric acid 6109361.948 1322977.488 346708.4858 3467013.565 310121.0072 351906.0643 1664143.947 456598.3535 391806.1463 5151744.137 421588.6836 5222232.169 6257862.414 400540.3243 3744769.079 6640426.694 4667891.942 5340143.548 3709345.031 4987740.009 5748523.394 6013040.977 747803.4229 586966.1534 710736.7297 391321.7607 688967.6109 1088491.687 668593.9081 3506033.308 11434328.84 1820043.461 4052749.389 5805870.372 8851644.157 9129715.07 293280.5056 2657197.308 5597481.03 5770482.25 329928.7748 5210484.163 324641.4035 5158290.234 4704937.139 1727163.433 308432.7024 3607367.357 4513094.031 414754.6037 597431.1474 4298980.662 590666.3466 470566.4667 288870.4532 1925301.797 257041.3659 3904363.591 1441564.979 607468.7884 437281.4989 679547.363 441767.3721 1826118.837 270080.2397 1344261.611 4283484.051 190302.2864 285613.6016 411421.7147 2230248.459 5914459.742 795807.534 5210176.919 2150563.082 1642577.41 2880648.22 2619389.038 2465869.745 2525179.931 2052036.044 3-Pyridinol 3922817.128 825489.2747 9956642.354 13392831.11 2417805.023 1137037.751 5169950.864 400185.9246 647774.0746 983671.173 2632223.348 697026.485 6596750.276 5790545.848 823435.7057 574225.4066 414594.4576 846457.1292 2503784.872 1483784.596 2006671.747 3395076.342 757815.8025 35054179.32 1010829.657 432721.1226 879753.7724 367394.5968 1619348.056 3465483.896 727843.5449 2226574.831 6929508.339 40078217.56 1580070.703 498330.3281 1262260.515 1214670.76 4598497.496 2017529.67 34843549.26 2904267.758 4500181.27 508113.1332 545907.0404 2382929.588 468913.9061 540554.3421 1703702.305 456457.4893 874457.7569 450147.4277 2399913.641 2057255.874 1629330.46 499371.3807 476804.3006 1424026.769 1140832.466 403573.694 1531879.94 993163.3226 1766590.352 941635.1643 3372500.614 1775953.614 12795269.88 3447251.276 5495129.402 1572681.037 448895.0329 523335.7305 471051.4183 5980707.897 3052944.797 2142724.786 1879665.241 2491540.737 1682737.64 2201669.849 2997276.732 4-Hydroxybenzaldehyde 124664293.9 115337322.9 96528447.63 188975672.9 120110710.3 95037073.52 134225790.8 93878735.57 100907535.7 113608500.5 81561170.29 126804827.1 147175290.5 114731181.7 93158194.54 77502158.53 134063988.7 151586024.9 211244063.4 67524785.36 93897963.97 90027454.45 76168594.78 85627802.78 85229673.98 45340752.77 78888714.92 67209513.81 54890302.16 81508071.1 119482971.5 163328651.5 120751228.1 115102537.1 53681915.48 95352879.13 87733825.89 143163676.9 84208865.03 131112582.7 75351316.63 63287591.35 71496090.02 129238606.2 152642129.9 72531558.88 113684652.6 126183967.5 74889676.48 75803255.67 76837938.98 75764392.7 61983574.12 84333785.07 74111706.92 71964884.55 121287461.7 72898748.33 56157727.16 65984204.75 85244192.11 58777451.17 57016761.23 170467871.1 118408023.1 123299914.5 112338527.5 81397283.44 90526147.29 81862631.52 103952745.7 80944227.54 101811346.5 114665467.6 100124312.2 95422391.44 100354802.5 92998248.41 107883852.7 92582911.29 98896051.25 4-Hydroxybutyric acid (GHB) 3633337.988 6175853.505 6325541.509 5052858.828 6753248.903 5182674.619 3393261.866 4802588.325 8392570.431 4811879.51 4184620.328 5373167.448 3775092.696 8745013.676 13189520.82 6438276.948 5662727.054 11354066.04 3875106.419 6419919.786 4608297.497 4230678.311 4429418.355 2169082.011 2370779.557 3636540 2609401.563 3386842.33 4895451.498 5174602.211 3555336.296 6028448.937 5386390.531 3173247.046 3755502.03 5502685.35 3783956.89 3398201.084 2272376.229 4904088.235 5308459.431 8549411.165 3027908.024 5433764.18 6238280.432 9879779.716 4435475.363 8004872.269 7741281.12 6860047.687 2932905.01 16981997.76 2919859.095 3208042.445 3927486.533 4628573.157 4251328.31 2315337.802 3089356.302 2691249.916 3279647.431 14767927.61 4285699.587 12067690.79 5462758.646 6432266.134 3722342.144 3058093.088 8316467.72 10259740.58 3833352.984 7763213.688 5573989.96 6742030.129 4578355.283 5158248.877 5120863.399 5752292.448 4041872.365 4973125.923 4978898.577 4-Hydroxyindole 27455022.32 3968186.043 20735869.25 10823166.76 19896148.44 14626541.84 42235219.27 8988305.924 15630672.8 16760577.35 9789314.424 10770679.11 16149910.63 6943410.893 8529668.536 53468417.17 65996348.75 60180622.37 10606660.6 8578299.389 22762567.33 11481474.12 49215133.92 6408144.123 32881675.01 11302591.05 12231750.45 44802378.33 8678931.928 32723912.85 10582439.24 38627050.75 82332022.3 54853896.78 39355181.57 29549424.58 14055974.09 13209680.47 45461472.64 16722991.98 8783354.122 1215823.694 36010845.16 5682125.464 13957309.38 43667166.97 13548844.98 11266527.05 28338303.16 7761077.608 22884140.32 9618446.613 15359430.51 18345221.35 29588486.06 7394201.273 54087582.72 20081184.33 14687769.29 22969599.8 39067241 18616541.93 19226367.98 14649975.85 35611532.86 14861318.49 51504921.26 37708019.04 17887602.87 45439194.17 78867288.52 28350575.56 21728111.55 49161694.23 23013745.67 21245409.83 23365254.45 24007007.3 20859209.15 21443277.3 23529467.63 4-Hydroxyproline 246652795.2 143343801.9 307002180.3 693993582 326027356.6 235531482.9 803397107.2 166828780.2 417251663.3 321548117.3 244222365.1 301747637.7 627399747.5 415331714 554154068.5 1373580042 719949736.4 837914608.2 892337722.8 289274142.3 680614182.1 449654490.5 537925188.4 496028576.6 598930337.6 362553910 646774122.9 867351673.4 287696804.3 782471643.6 1088553689 329267830.3 226650075.5 823965525.6 1847293183 412050683.6 411790077.6 1261902006 1425639177 337584725.1 310804083.7 1483173745 515848127.2 366822666.1 317393143.6 658754788.6 260268326.2 619425809.9 190745808.8 655961444.9 560404965 642627398.1 431121501.2 1041786012 1486749885 465905826.7 361390597.3 298064902.5 898020203.5 712601878.7 586998822.2 446828299.5 494262787.9 574709028.7 455828276.1 359891016 1374503672 514452191.9 476972456.5 535148494.5 246366710.5 1476471276 562601725 305274383.3 706576290.5 581609491 609205283.9 650068079.4 596469110 669882381.4 652310884.8 4-Methylphenol 28576667.2 25968788.91 1647676.219 35891619.57 19827450.57 5997706.999 11957401.85 5331714.555 37027307.21 23825242.25 15141824.61 22131056.99 11494379.34 11469078.8 34653637.09 43801915.59 88028734.92 24202581.51 25253118.04 8144558.811 8086722.664 31452295.97 6365106.101 5173989.351 26258635.69 32855049.39 27436339.93 18328637.81 433477.8151 68204448.02 9895589.426 33091751 38985662.53 7558284.74 161470972 24239695.93 20316496.14 20934606.38 91399139.76 1817784.35 11080530.08 1472255.881 150928426.1 18666000.56 8904909.252 1689327.109 33048234.67 6880681.012 32469451.52 17084033.68 25975013.41 37701291 6391815.015 17323685.33 40069427.29 31577853.1 42883600.14 58502987.24 23149931.38 28157036.49 674843.1183 7583576.353 27209245.2 21664338.15 12479866.59 69951188.54 85834342.34 5630158.804 45780300.68 35296713.36 2565878.438 22210144.84 12365156.64 53672352.68 30862534.06 30767415.58 18464106.08 31098101.25 19878678.99 33211017.21 28329592.73 4-Pyridoxic acid 2471070.687 3385381.729 2635280.703 1992197.023 835869.4681 6723879.232 6252966.057 710739.4951 5537711.466 1881537.06 894980.146 2322064.604 2897650.83 2635774.233 1104413.411 829862.1436 3025831.129 912720.5904 834870.7601 6727983.018 2032573.006 734076.2609 439604.6465 1492840.656 2051016.936 2001098.378 1584395.325 1678611.759 1173188.107 5068928.099 9173291.173 3341786.222 3351054.3 6922858.139 63604999.13 9757821.627 4878152.488 22350596.46 729834.7699 1801994.744 3947137.057 534112.8247 4786910.423 4008005.386 46871396.47 689324.4759 2133071.982 949343.8454 9968607.321 4111390.683 1298325.644 1133940.059 1419703.884 532712.7355 2235439.993 4350848.717 2189614981 1264284.42 948871.3077 983836.6927 2792753.868 589772.8731 3823724.402 514576775.9 3608595.23 2038248.33 1611652.312 8836595.37 2100392.356 1212189.519 8737432.182 5829235.554 3513604.552 47203626.72 46415789.54 34568234.39 34700640.84 46041935.46 40636161.62 40921334 40186696.51 5,5-Dimethylhydantoin 10679645.43 14904615.82 26234528.72 22178605.31 26736133.49 35189388.94 20421399.91 34973294.2 24679797.16 19672153.61 31562552.39 14627511.4 22431422.21 28533334.14 12546472.52 13775607.63 15040449.97 17372776.14 21959308.42 19676426.01 23993475.14 37560007.89 58226085.25 52874198.74 31179974.36 30628891.39 37791234.22 34498476.98 41969823.62 36064878.36 21011199.08 14541658.73 26433931.73 21823254.1 34513557.3 18018564.43 36536390.04 17300991.01 16633510.67 20868692.57 27024193.88 14536682.41 45972143.86 31871730.87 17496738.04 23105209.03 42493271.59 17700430.52 16424677.04 35158865.25 38253237.37 26424060.89 83996858.55 57384901.42 48951279.05 32198123.49 48365103.99 23502142.3 65427106.14 76471014.62 66244147.72 35105637.6 50315692 15572947.37 67432446.5 36230452.03 57401039.97 41374592.42 68778196.21 53290473.1 20738370.61 16969160.91 20317143.68 28432808.45 22425609.78 24221130.29 19893152.88 21717805.78 18467603.64 24968529.98 22901286.44 5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one 1086969.411 1084346.253 1195710.636 1273522.756 96683720.46 1026782.177 1157619.805 1077910.518 1121524.366 1294695.104 1088121.085 1132451.031 1167722.309 1451083.75 1165968.75 1260734.33 1178402.952 1470646.783 5889519.093 1091594.198 1238336.569 1529009.281 1242499.068 1180533.917 964432.6099 759834.8071 899111.0367 932207.6868 930384.8249 1344569.522 1218935.727 1344434.399 1815909.685 1366480.573 176227260.3 1551237.346 1000656.371 1091340.665 13195891.7 1231429.756 1169742.434 979760.026 1139078.276 1571689.01 1530451.923 1336583.046 1381646.975 1332424.723 994382.8789 1008916.851 1291447.816 1140297.985 880637.5787 824259.4491 1682329.33 1289347.362 1404305.06 1295242.553 1234974.124 1047556.967 1306785.09 972434.0643 1097189.302 1634021.291 1219551.882 1336746.465 1299540.718 1082098.454 1349179.255 1268883.598 1488470.372 1402052.222 1381533.864 1504761.739 1870854.972 1781861.94 1812513.245 1928992.945 1990028.653 1553070.372 1952235.698 5-Hydroxyindole-3-acetic acid 95844544.92 138378770.2 96505743.51 153830528.1 76394895.44 118399527.4 107693363.2 77883250.92 97586418.54 122056992.8 78254598.69 116495879.3 224416233 122805941.3 92791785.14 132274931.1 165980358.2 106150509.3 82968894.79 115665772.7 122851713.2 71451622.85 75452049.63 50826032.52 59896024.81 56200098.38 50656014.27 44237833.42 69344493.34 129655548.7 163297105.2 114604961.4 92406143.75 135948447.9 160594566 133266740 85946262.85 88166297.55 62719047.91 118865683.8 128139578.7 44180836.64 105111831.9 132685194.6 77768166.57 176607633.7 153920054.5 167063876.5 206486890 67665072.3 70689551.37 138270811.3 68078560.5 50480713.77 74950328.75 118680812.8 223266695.4 137458334.5 53414011.63 74562420.65 69404162.72 48785167.74 145292905.9 75828312.75 118084541.2 76359826.43 51186149.98 83161946.24 136926245 81824443.72 153631217.7 138120440.4 100902694.2 148714334.1 99822267.64 93591860.16 101145901.8 99763509.6 98291842.04 96603449.41 98094193.03 6-Methylquinoline 53522021.01 69444387.46 62378805.06 67001133.73 49262335.2 47928610.84 49102225.52 49921399.2 46585314.37 66544585.95 48523742.58 60760847.59 67592064.03 53207330.44 55174393.05 52105349.9 66405151.29 62447455.05 40555870.77 49688742.18 41994854.09 50430814.81 27656901.61 32865305.99 40928913.15 27866007.2 29049042.15 43343009.25 33174512.07 66490658.06 69297874.11 62379888.55 44980597.32 62360411.87 32163120.19 49383234.39 48368246.95 53270447.09 54309958.61 62748479.01 56535129.88 37234005.61 57551449.97 58169897.78 60980614.64 59250014.6 54754738.89 52120552.08 43204460.81 25989554.53 33126804.39 58422114.88 33115077.2 30962461.45 50183685.47 65021725.4 45775075.4 31271179.91 36208070.8 28685113.43 27091947.61 31539780.51 23843365.84 85255297.98 64537653.49 51542556.26 38834580.71 44184770.29 65336959.44 53427573.96 58003081.53 55869433.16 65479930.87 57854020.77 46281451.47 43399188.31 44625964.49 46010035.82 48624794.82 48730469.83 41141818.63 7-Methylguanine 25249004.33 19635634.55 25356006.82 17840098.58 23900210.38 21221484.82 21593906.3 22092557.52 13937285.45 20854504.78 22065682.9 17943359.38 47107543.94 15997176.82 18952204.28 27539850.48 25190808.92 15804209.48 18017440.77 15667286.67 19301541.24 22906507.34 15213947.29 12336212.61 9986144.093 8878323.58 13959224.87 13942997.45 12214425.51 17666712.28 16867672.62 15976025.91 17864409.39 16714318.55 30833292.68 21965853 20575556.29 20354339.45 21397977.36 24430876.88 24497032.13 27962284.07 14388908.27 29962625.39 12428589.76 19749941.26 14000187.75 22726373.34 14225630.1 11454252.6 15611056.61 16752120.91 22107710.42 11265631.04 14773777.28 29092669.48 15628232.15 15552040.7 16848592.84 15569512.4 21676811.6 14724582.75 22631508.22 19893436.8 17243224.53 17103512.93 30826379.04 15630043.3 15781471.82 18110160.23 19053789.55 16317626.04 4509832.999 33349287.88 17040973.16 15687994.56 16276479.49 19128337.64 14913609.06 16159554.54 17048741.46 7-Methylxanthine 11158869.39 660115.3473 17223820.95 15045615.84 13659782.97 36478916.48 19533435.22 3326551.112 18056188.21 5091403.684 7775599.411 7321316.592 12820999.54 35600859.99 4827491.159 405577.9807 15079199.2 22636343.26 3183070.83 21261424.93 17630208.94 32761693.29 2635733.707 523409.5381 13970222.29 325898.5735 2988111.449 12897567.77 8379333.386 30142700.22 26164149.18 8582787.777 29409122.38 69535987.1 8661650.207 7972860.701 6815454.595 18409453.86 6298892.91 11755513.94 21922577.48 461145.9949 6025156.036 8935771.723 11175348.1 7528480.906 4242798.805 2271025.554 4195891.413 319549.5485 11296741.85 18993052.11 26469474.85 213172.8134 1134247.452 22753790.31 7988888.861 15140133.67 218942.8111 5787621.529 9136046.685 3464256.013 9901891.927 1914579.33 12076815.28 18413167.17 44798156.68 15583684.82 20496131.54 6163094.05 38888621.31 3678849.819 2982901.778 19329219.38 11748010.68 12188652.38 11453798.58 11026678.08 11434115.83 11849464.32 11875458.83 8,11,14-Eicosatrienoic acid 26475187.07 35022876.08 42657674.56 17438072.49 42374612.29 47495376.58 28168938.47 50552485.46 41016198.62 38455933.31 35980728.29 39405464.04 12702570.07 29197925.2 31906975.46 52725152.76 41294311.91 26494671.8 24735070.96 22691625.01 36359538.85 17631929.24 15295782.59 20340907.06 8710352.964 20256260.22 10618979.29 14916799.3 20409293.75 30038259.07 12768407.18 31461327.75 11631174.61 59643707.63 24239112.11 52804985.67 45760056.38 15443227.62 23868535.86 43075139.88 35092587.03 37315994.08 37118686.74 27926878.19 20340613.14 32662568.34 23923177.23 27898557.37 18569368.33 40648584.62 8262222.176 42815381.26 5351000.635 17653843.67 19308386.6 20640791.02 19251452.61 11146187.02 11284709.09 5110859.107 8228187.817 37896776.53 35137131.22 13617328.52 17803750.03 26639826.76 8196835.442 31748948.68 23315796.91 13130980.76 10045649.72 28367930.97 28533634.03 39494450.86 26837483.97 21436463 27620696.4 20182788.71 26936665.56 24191476.51 25081687.32 8-Hydroxyquinoline 104585861.5 130606402.9 125542666.2 134298756.2 95408040.29 89471290.3 95849031.01 87988831.46 90493009.71 130416572 95804321.25 119622877.6 128401399.7 92620287.73 98973788.58 101279073.5 117614380.6 113986638.9 55058769.49 90750567.08 86035252.26 90332610.11 64670261.47 61931724.12 70879196.01 54049873.13 53991309.59 79961723.36 62656355.74 133678183.9 135666419.5 117494662.5 84387183.9 111009705.7 83180550.85 94777641.27 107152519 102162398.6 104641015.4 112991697.1 114970112.6 71023298.34 107886299.4 115338201.9 109757073.6 91927831.79 103749327.6 99906041.36 89040832.17 50395890.36 66408031.4 111289325.2 65672638.46 59342868.85 93834612.52 125598300.6 89500101.32 75125306.86 63836233.28 56631970.81 47547235.8 57690643.59 37509211.01 156753662.2 114500931.6 98421377.1 72324900.27 84978589.1 125449082.4 98372430.19 103083750.4 109025619 118003295.9 104986130.7 92581065.05 87931149.01 86175440.29 86815667.17 94821346.41 92652094.22 86030696.74 9-Methyluric acid 22208699.91 2922772.543 99921407.02 25916672.93 36039472.18 35020453.76 90316971.14 6268643.325 58978866.53 8308421.442 14857005.52 7807140.923 25927206.84 58328436.45 11253696.6 3252251.135 72718235.54 71771374.97 4659480.489 52934846.22 62769712.18 89441591.79 5682792.1 1704491.46 30054621.44 1636455.014 2698443.573 14073586.21 16962127.43 56451891.55 22589033.35 32953228.75 121176534.3 200561859.3 23388408.72 20249898.01 24871135.61 21203275.73 19078110.57 21613787.43 89534927.36 2846657.686 12648565.03 12744283.4 27606640.65 20064475.67 4772791.217 13495750.69 14711261.74 1489667.186 29513933.07 20556823 25643653.68 1633881.373 4601077.479 40303803.31 42647730.97 24545328.08 1558653.857 5969572.641 26827813.24 11154587.57 19533840.63 9565113.711 50869584.42 34433318.83 232969434.9 40011652.38 29024486.74 14287047.65 66080163.59 11305781.93 1307915.7 75437802.38 27557369.98 25002092.39 27426354.41 24581559.73 23658376.01 27433111.72 26974957.47 9-Oxo-10(E),12(E)-octadecadienoic acid 126273259.2 33825695.67 13290370.83 20214073.12 9622838.645 14995699.51 45093561.79 13929148.18 14824917.69 49382645.93 7136487.886 72600450.38 47972050.7 12235371.17 66589819.53 133539156.5 48140137.89 56871570.63 91576906.85 32086692.13 32759123.3 61457453.86 7322368.94 9205111.81 12167940.5 9247431.905 14459660.23 15067106 20723256.84 102605008.5 28969392.47 50735565.72 29794181.18 10571830.4 61773898 30533605.61 12651709.42 59186719.69 180648589.5 82918118.57 8851133.022 28662939.15 7465717.94 90490047.21 66896575.28 38417529.97 9874483.937 57044312.2 69723939.41 7900816.751 5970611.811 56992701.8 16124118.27 14997418.79 4670450.337 22270925.71 7657633.294 28917554.19 16214351.22 22099850.19 7681666.4 10736619.25 9133465.347 47695438.8 6903922.267 91294486.27 38932678.9 14071199.3 12063865.54 14663667.65 53084418.27 8907414.809 20529506.97 92526578.44 26332680.06 23753463.59 24581749.64 29533177.04 27523150.11 26766634.25 23057285.04 Acetophenone 8200283.836 8130050.357 4995514.651 9595008.121 7790072.746 5378405.815 7805992.19 5304183.975 6567182.651 7298747.932 5774016.871 8426177.863 9123686.804 6426139.73 5515526.316 4796838.082 7990333.249 8761423.313 13811314.85 5161397.417 6437405.745 6140429.23 5426490.645 3250343.319 6960496.29 3230130.892 6121131.479 6329137.258 4595387.326 5231985.851 7713376.118 10445865.19 8286094.685 4423271.486 2896205.212 5242084.332 5400118.522 10329604.64 6969775.037 7275474.227 5713819.99 4441082.313 4602487.221 8834824.615 9798093.552 4891480.649 8618036.418 7236525.221 5503227.805 6009892.755 5545745.266 4856492.543 4404056.279 6032192.279 4319350.911 1949228.051 7597963.632 5312808.283 4415623.767 4857377.2 5894815.335 3866754.035 3262600.126 11509969.63 7542272.571 7965673.453 7010659.031 5488007.018 7009295.255 5474171.435 4392403.423 5094335.011 5992440.29 8046330.729 6081474.364 6119999.509 4480217.82 5301641.463 4753811.719 6425790.841 5795371.065 Acrylic acid 84096302.64 127975481.4 81516281.01 108674466 89135770.74 125704623.7 133708857.6 187378564 82607921.82 92063594.53 111977927.8 102747857.8 159594347.5 101631301.6 181487626.4 137457929.8 83423317.11 183809138.9 231643621.8 99020476.23 112492144.1 104999726.8 309525290.3 451661400 256714321.8 427362688 411426670.6 468247621.9 313399367.9 170600600.3 138461091.2 35084658.23 81263840.02 127728125.3 255225111.1 135705538.6 52653874.07 188633408.3 147780564.2 137645803.5 104177752.9 103668070.4 74317766.3 178410231.2 194736142.9 113965550.7 121396333 133242691.3 43227166.07 475843815 332480151.4 121613464.6 316864938.1 483607219.4 98541965.16 112537637.1 143599059.5 161189801.1 558559718.7 310608739.3 462079934.2 575197982.3 691436880 136807346.6 86533188.33 154420720.3 191410595.1 32533172.22 125838664.7 47314712.8 130717404.1 178578240.5 174643790.6 172538458.2 182033830.8 208151534.7 192654405.8 212477406.3 149691122.7 230245068.4 178296114.9 Adenosine 803668.2884 554207.6919 1789118.818 709972.2254 540557.9051 2549687.427 651664.0173 17202312.56 7520913.477 689238.7802 1759117.812 942343.0293 1093167.406 4562912.153 614490.3536 845385.4957 584423.4928 1708357.104 517090.3126 477874.1529 517545.6905 628663.0573 11729475.57 6698818.411 1200191.411 2255371.794 584617.1611 1116582.141 2613319.871 786824.0507 576507.8336 607173.9395 417657.742 685366.7819 1345981.169 702320.2732 3703153.095 1076283.501 663434.2805 559343.0854 4323471.064 583828.1779 528630.7809 611193.4982 612232.7345 536068.8235 1157590.938 760730.1643 597049.2847 2679323.445 683428.1109 643326.8314 601009.5497 551090.1585 1216135.936 572291.244 5738039.105 437002.4722 7133679.94 3308446.109 495034.5032 2439244.316 714671.7046 569211.3796 930797.953 614180.8758 551647.0467 5309271.781 520644.4907 21226347.8 719915.0297 516709.7321 968637.3529 583630.2609 1913940.124 1699863.512 2300964.898 2059517.172 1976668.175 2055471.682 1799868.664 Adenosine monophosphate 9109495.259 6127186.244 974304.4576 1322395.539 999546.7346 997736.9851 3069878.376 1019101.51 1046975.083 11687912.81 1023660.352 23154022.3 4678448.806 1058646.751 4186879.567 15832091.55 1560077.418 5121579.317 2848303.221 1835251.169 3556235.61 1381036.526 768654.8837 864393.4628 1016732.854 985146.942 786150.5961 807118.2643 753714.9097 14795073.98 18682153.53 21444914.58 21181314.88 29039013.81 26468816.43 7131737.549 1053416.424 2423976.368 70963108.15 1828855.329 1150968.198 1234909.246 981781.6607 4497122.255 4157667.164 7540573.746 1006888.265 19824936.46 20947263.17 670173.566 1049787.514 8230225.558 944031.7142 863016.4531 1241460.353 9552193.326 1142703.2 5605963.845 929610.1672 869531.622 879395.0316 1047040.919 804249.5448 1379791.095 1231609.478 3368686.63 12120275.86 962665.142 1145788.291 1000735.661 5817028.014 33351385.25 3469601.324 9273989.663 8562299.021 5371295.41 6693927.208 7122344.694 7319360.285 7090356.01 7274357.847 Adenosine triphosphate 2351697.983 3124947.726 370259.3101 3302820.512 292193.9154 293202.3401 2170513.026 293394.5465 313516.1967 3222969.571 310788.7427 8850534.746 2227769.055 251529.1765 927697.7082 4636349.72 595085.5275 739178.0453 614122.3216 570246.6511 1771582.78 682594.4522 254301.2471 265996.3399 194444.1628 186004.0476 263494.5261 234832.0796 192116.789 7402306.047 4185063.906 1457619.337 448960.5034 3976405.02 4225023.736 4051161.601 283674.4773 1172480.509 2244858.788 1571908.461 238647.394 543030.8418 225215.6004 771810.8004 545914.2216 1623242.959 189396.1026 2189184.578 1358133.981 168714.7698 169933.5843 953120.3934 156630.6338 159737.7424 123673.8155 735985.055 155172.9685 666209.3727 179174.4845 172635.9792 156353.3695 151790.675 147022.5178 148314.561 138532.9533 1313854.694 434619.0835 93316.04935 133716.4349 148793.4271 2913900.623 9373744.991 704945.1688 1061314.925 1117216.097 785333.2302 1200494.607 1529304.441 1270755.284 1017410.428 1079545.782 ADP 2737601.918 3209150.051 394590.8831 1084561.342 399762.5506 381310.322 981093.4318 385523.9922 408559.3274 13371592.05 387557.2283 17396568.09 2660588.437 403634.9722 929626.7784 10918721.8 943514.1974 1559123.644 745964.0687 598717.4179 2841455.662 857318.8314 334637.0406 356600.0396 289703.4335 282138.8496 351194.2614 327864.4626 367804.6104 13726117.16 8782102.196 5522932.026 3058744.186 14527183.63 15557348.61 1578496.35 369006.425 779642.5041 14695756.06 1650580.505 389405.5184 666610.5406 401597.7571 1907309.826 1369329.183 3590485.927 318758.2928 7762006.026 1996911.948 277111.0825 333039.941 3369203.566 331812.4287 301459.9381 272601.5779 3628677.105 323419.5373 2002937.766 334525.7681 304892.4014 284359.2533 257219.5073 260388.7133 880873.478 310475.8603 1130250.304 2537002.512 233762.4621 257220.7341 286300.1346 2535983.784 8784119.286 1251031.768 4164307.473 2940879.892 2370779.968 3401300.055 2107607.847 3499852.134 3002327.926 2512471.246 Adrenic acid 6516355.41 12954380.29 12121202.82 5209175.754 20893794.81 20690084.49 11109426.16 29660245.32 38418151.97 12136227.74 11535864.59 6580250.228 5133995.575 14236051.09 13375795.57 30043721.99 22650496.17 6568231.836 14180523.52 16363153.06 10843821.39 4197211.182 3517701.246 5691865.687 2752921.926 4464164.811 4586730.547 4903861.015 4517247.295 9715609.526 4646731.806 7759485.552 3793661.279 14503096.2 13589629.23 6491359.517 18006663.03 5184897.819 9708124.675 14773101.45 13813734.15 23934626.36 12881710.3 4512305.711 4695096.912 12233095.91 5638591.172 14769768.75 2623390.67 22589589.24 3309582.586 20891612.97 1319328.9 9028503.83 2637016.114 8284965.084 2400520.946 3528733.543 4971433.232 1704082.068 2897377.27 18580852.01 13635129.86 2575824.207 5597470.859 13676631.96 2192551.742 8986161.69 5631399.038 3949849.044 3444889.841 12134234.95 8423831.451 6381368.473 6517361.624 11251399.18 6794288.353 8646009.981 9847722.594 9954480.491 6337981.353 Allantoin 2270954.587 1414360.397 3112592.281 2203708.94 10666886.07 1186879.662 2401416.079 2198572.399 1339976.757 1375257.187 1144125.314 948552.8883 2362035.684 3325833.175 845991.0474 1242420.374 1546018.369 2296327.895 1795614.164 1085097.677 1598610.174 1405832.47 1866760.374 152693.6715 533255.9824 173514.0539 1121444.862 401375.3855 329692.3886 1161281.121 2666783.612 2634596.471 5397106.571 1197942.696 2087585.698 1810663.299 3672239.707 1525423.085 1738017.109 1780457.017 2083460.352 1584585.728 1832520.589 3437700.688 6538809.199 1867371.955 3826578.687 1149600.108 1637501.136 915182.4885 1012130.236 1970186.01 514072.9735 497663.9968 2539593.244 1207496.179 8321163.412 1224782.228 544561.6389 551669.7768 1006091.643 245226.4418 277307.5679 3665385.542 2670161.417 1578977.985 2288980.535 8107535.662 2024639.923 1826144.485 1831172.522 904504.5535 915411.3229 3020959.096 2308253.318 2238402.009 2295588.177 2215022.479 2393954.937 2181106.726 2298393.204 Alpha-Linolenic acid 73489887.9 75143251.01 94877801.6 109743791.3 50885288.94 67104147.69 97222504.3 55680653.87 96484554.73 144475916.9 26009063.83 115802025.1 93272531.51 81046513.06 183236797.3 210668767 81282950.17 50085705.42 105092589.4 74000192.74 73693172.89 125537398.9 39867416.46 50598993.75 80389267.39 46769989.62 79624052.95 72508629.45 100388141.8 112502802.4 73391827.9 71490477.37 66590460.21 47321675.03 130338406.5 113488668.1 42010698.58 107027824.5 207801209.7 58909049.43 53656561.69 32363478.21 47531667.03 110214666.3 121338900.9 160061827.8 68963658.05 137778237.8 68752621.19 37950118.77 42627308.54 98608268.86 69167126.09 102399767.9 30600130.36 184018464.9 44339156.26 81740748.96 92975271.77 118468043.7 40445814.41 66466804.91 42754558.22 9442578.051 42383236.62 162889605.4 30228066.16 71803552.22 74056545.46 64161241.66 56388294.89 17760467.85 103416423.7 44215371.13 67509399.45 71861811.87 68217757.38 67057366.28 67126965.66 69837521.38 68739608.49 Aminoadipic acid 4878352.754 4775696.312 21596829.22 5443078.077 10750853.67 8917476.127 2564609.336 9466401.575 12438168.82 3470757.884 5168847.537 2908335.439 3179854.334 21570368.96 3539464.973 3506053.469 7244540.904 12926467.45 3023271.256 4191226.886 2458967.231 2868404.788 8323667.227 8351017.606 9655021.289 11907731.64 10554297.36 26318465.13 17236324.3 4824393.967 5721108.555 17193233.73 5540372.823 11765877.15 4052743.741 3895529.83 5689899.815 3017989.722 3165907.848 4962527.896 21762191.23 2691912.701 12085020.19 4864405.767 3990900.793 5579643.806 17993471.2 3626928.432 3489008.066 14916062.23 8817236.427 8661828.541 7461393.555 9309260.327 22345876.65 4849078.076 22241249.27 4035763.288 11573749.32 9128190.228 11211583.13 20775648.59 10409093.96 3250736.955 13015455.31 5476892.959 6484575.827 8518112.487 11719896.57 12476504.78 7379768.909 5731638.15 7450430.893 6230020.711 4219659.946 5364870.291 4019304.471 6819864.638 3363919.725 3488787.098 5642351.474 Arachidic Acid 15405071.6 18773256.15 9851649.461 10995178.31 12837507.57 7649526.496 14077254.6 9483551.805 16233259.37 14475555.35 24170371.49 17352612.63 10615627.95 12337950.4 10598631.09 18471888.16 13708186.63 16833926.08 18066166.8 11275218.39 9157782.058 17545961.56 9110093.391 14541887.03 8726145.884 8665580.193 9408234.498 6846886.179 8743887.454 17007078.46 12756161.59 10497139.05 14214564.19 25880744.54 15452367.61 15650220.88 7579038.223 12825892.74 17457532.16 11517125.91 12707181 15916345.64 16771047.76 16151871.02 13691087.02 14205487.78 18726407.03 20003791.01 14190026.08 19224572.88 12133379.41 18507762.41 11161288.09 11568842.66 9624925.254 16499568.61 14871468.79 6983889.726 13786746.2 10608609.57 11382611.55 12157645.39 14576871.97 8483041.735 10023450.11 19664513.05 9155594.317 5483476.527 12460509.92 11002113.77 12471968 16237335.87 14410920.32 12631254.76 18751362.67 16711896.35 21456925.2 19686364.84 15312943.49 17854835.24 19778181.33 Arachidonic acid 86544876.34 115304711 143609518.6 85464706.33 110786229 171268742.4 101675526 138928046.2 166656463.5 118871789.7 77430233.13 138646182.2 52030482.62 120325252.3 125530677.2 250312772 183196636.2 128346947.8 96146539.9 96731224.38 118949102.8 83755812.23 73072557.87 93830343.45 56150159.46 83212104.02 77068222.28 70348110.28 82813397.12 155663295.4 110663536.1 96584315.6 51220272.33 190940449 112296013.8 90944684.5 167823680.7 62254895.77 120517220 176891160.8 109838485.8 176176071.9 117726864.1 67206784.27 80576401.43 112342215 93347398.82 196481087.8 58362886.1 185538422.2 44206235.33 182195418.2 28456970.49 77065713.65 101097630.8 88333296.2 55474077.55 63349736.64 95181072.5 42938255.81 49465282.26 183722077.9 99855718.63 82379532.43 82423676.6 109125969.9 72045412.26 90297417.29 108528310.2 49868563.65 53682846.33 140696895.8 127973940.6 85447841.3 97265006.47 100236297.4 108957011.8 107045401.9 96383137.59 100787053.6 100344875.4 Argininosuccinic acid 284437.1716 322029.8082 228374.674 1217887.327 673779.6698 812443.4222 976532.3528 736654.4255 1085956.183 358891.914 1596784.929 366025.1532 562808.3858 1165264.755 288002.66 349897.8111 387620.9677 705792.5235 280290.5648 240451.7278 595268.3131 308269.7461 1502643.787 1245243.54 1943083.504 1642146.249 1597237.4 1460313.305 1652867.92 895083.6054 590965.1172 659879.0783 253651.3719 257268.3469 720823.5976 1517360.225 1076971.526 501579.6545 622327.6868 348933.5041 616833.583 308873.7419 1244297.764 264993.7501 317240.9487 847151.2232 1219262.283 772270.4506 396456.1487 548665.4472 1586679.09 252173.1076 975830.5485 2695826.703 2228044.098 274322.6522 3509998.024 181868.5712 1739016.616 9763106.558 1351445.416 1205788.563 1491746.065 1025631.98 1658517.806 798214.5126 354824.6032 1204092.059 1672422.992 1285270.929 2236815.855 831990.3616 395203.8943 498728.8724 1174948.285 245317.9888 493586.5131 1132711.778 1224346.956 1323721.568 1087308.462 Ascorbic acid 1266665.957 1438671.508 2832912.678 1764346.111 779228.2921 2227353.765 2013621.673 3873208.034 683428.5197 1876347.345 995564.3138 2245918.296 1544762.769 5170512.378 2036900.778 1977850.384 1381558.298 1561892.255 1804525.792 1270209.238 1484435.25 1776264.639 54288367.52 57195840.94 18827300.74 34912163.52 56732936.28 48331987.81 49315479.16 8255777.87 1660777.47 1322262.688 1292200.126 1776171.511 1153614.022 13266013.18 4059371.782 1788269.252 1675294.623 2694821.769 766182.0935 1334394.834 610912.2099 2307013.521 1410633.3 7365375.647 14826115.21 2611965.662 1279084.948 60143558.24 12851118.61 35564092.12 57082869.6 34770181.1 15211518.35 5503325.171 1329891.262 1367994.217 46149874.29 102755364 27813066.29 40808953.61 38698292.82 2435547.619 661579.3499 1595078.609 1950005.83 2634251.932 1199869.868 1287751.815 1342588.279 2258524.978 2069196.639 1920656.97 6912858.415 8343955.261 8968544.639 8250485.263 6303730.23 11323940.52 5491431.263 Benzoic acid 3984591.93 4907946.74 3088768.927 4538701.221 3124653.65 3040102.06 997680.5711 3508067.384 3727700.941 3642119.491 3617880.274 3530397.835 4559381.9 799995.5235 3856758.163 4309879.234 407732.6899 4068440.562 586290.4251 2754392.783 318331.1093 3378089.46 2298146.699 2182459.703 2717597.472 1814940.279 2449667.579 1877030.237 1477408.889 2696689.863 535352.1663 1954377.659 2668182.184 1534311.101 401063.2649 3764877.391 3807478.089 4143389.492 506829.0113 4279260.41 875201.2799 12460361.84 2805558.61 3289742.388 229849.2737 1051940.977 2613234.898 582912.7434 551527.0338 2765674.924 2279261.067 884022.0685 397720.7427 1716695.282 983481.3802 252797.6416 859972.6553 296644.204 528104.6357 2231539.273 1820580.638 2097435.519 337132.6422 1793327.841 264323.7176 1021296.102 2300518.209 1495861.525 2325645.379 444148.3507 2565248.705 2672625.864 2239579.395 2149471.924 715217.4183 955653.7091 1052697.783 885156.8821 896317.3919 798225.4677 896795.0969 Betaine 7277453742 9452182853 7611938311 9011207928 12505541871 5563991245 6739250765 2972795926 7733853977 8239105145 6416975915 8952656692 7808442276 7269864178 7949978923 5756250305 4098772033 4646328907 15426214406 11703412218 7631151096 13805994507 5770532783 5323707416 4972949652 4797644163 5195297568 6291403355 5148938299 6164742680 9612443271 3447966710 6318472365 6291051715 12539696090 7157303687 6866292778 9232371605 9218530287 10358136402 10699710721 17414528123 11096549193 7836467564 7684290662 9412077489 10814482774 6755364983 6215146929 5792365469 6040398765 5789962198 8105368853 6220651276 4074755830 5230312147 7610638013 6312862417 6659611005 4973089776 5579569728 3630512338 3431047981 6170878719 13557466426 6336518814 7312955014 5964956998 7326669793 7275000572 12468233065 6588091252 6633928202 5594180642 7310231782 7148685681 6728172290 7410267442 7201570816 7114980980 7127421503 Bilirubin 86109310.19 180287038.6 116938178.8 85210153.52 99202217.44 107690516.8 62622458.35 62242966.63 147238644.9 76248597.85 103362144.4 98934619.28 54683118.66 47021952.97 58063532.59 262468014 163411019.8 15836414.69 100861817.5 104042493.5 82351522.69 104310101.9 55153270.39 24073687.76 18729130.89 20923758.36 32967386.68 79252954.74 78189932.3 88968451.31 49585004.21 18579722.72 8172024.379 176362836.3 123545484.3 178154805 76779234.94 100286798.7 60718719.44 109846196.2 148596121.6 91806582.2 110473747.8 334172211 41921387.95 123237426.3 58374859.51 53876845 96202010.47 61894683.53 40796209.33 36534926.69 69821694.56 55090275.46 19704457.63 242588705.5 69835904.83 60529203.16 25071020.02 96691197.28 51070791.2 55111829.65 77263286.08 23586335.68 99499361.03 38915319.83 51146586.68 60643435.04 140099553.3 77555825.07 496347738.5 95988379.48 101217593.6 306317449.7 63538785.36 68943324.23 81929832.81 72667282.39 67375235.93 67052150.83 69062881.47 Caffeine 250748283 7359370.809 9057691.374 83399126.79 278430531.6 12593498.88 19483596.55 128109631.2 16242535.2 7903778.904 1779330.663 5338014.661 4646864.746 595965666.4 17980203.56 3527213.542 73239808.9 5354578.822 64272585.28 67066173.14 96760460.94 55981186.59 72443504.57 42666088.96 170282340.4 11133433.31 36860330.72 138119014.7 26771333.73 175667887.4 23135096.3 19860637.41 76878991.77 29264230.76 5526433.272 175403497.7 9048266.801 165638864.9 28429622.44 4382976.687 65605793.73 4725126.412 8201957.339 8681519.446 547505400.7 4940373.416 6151791.805 15356588.03 155152960.3 7479222.668 149381697.5 63411214.32 172377621.5 4327879.037 5594440.41 11080704.69 9241328.989 25596020.74 3002405.83 4604693.843 50019705.45 6224282.95 116111330.7 203765645.4 7077612.918 5008749.5 5307675.502 68486017.16 95844572.26 18682218 3423571.732 308758661 1546627.929 594261103.3 63205187.81 152336957.4 16080780.35 8216750.689 83880967 107626269.9 6079663.754 Capric acid 85626290.67 24242023.31 30253786.46 3275539.594 23299587.3 202385770.7 13894534.2 44883300.59 27274796 21558339.1 31750033.42 16066329.05 14229661.28 155710545.9 11856266.44 48177992.44 28865967 72694838.23 29824108.69 36268349.06 30823604.15 33457636.73 24977101.82 26975576.01 3892285.562 7916491.822 32064000.19 4281546.361 5726814.153 9139987.88 11795386.94 68908654.61 206840075.5 88736692.87 12022738.1 29569408 19971619.34 14713510.1 29123453.28 23069376.67 16476209.31 36007775.62 15064377.58 75502050.06 28754719.85 23655261.43 26308961.94 30927125.93 37979285.05 21544408.56 34915702.21 60399241.07 7237036.934 12762224.4 18948530.73 87664114.56 88939988.55 13050980.87 17312379.14 5704927.002 4601454.15 13264975.16 25064729.75 22929912.13 9827814.021 53952535.36 4308092.771 49495918.28 26209543.15 32122562.52 23222449.52 6650214.674 7294777.261 53665521.28 37823394.17 40385434.83 41288573.48 44550204.88 25427251.03 43772447.37 40339677.12 Choline 1484121531 1151610014 1227231766 1193886619 1668764513 987031117.3 1400036606 1605725213 1102281274 1309543396 1007799726 1036181952 1197952628 1044584403 1372257051 801115256.2 1204751681 738040070 906647567 756477453.4 952716200.8 1048570344 596973000.2 533405635 637566975.5 413256185.7 447980239.4 603519241.8 658836585.6 964007838.9 1245236797 894889507.6 846015167.3 934755572.3 1375180484 830211247.6 1131080635 1318643425 941696770.6 1285784279 1277288592 949281902.3 974180205 800349935.6 1030902380 1037137461 1119713122 1317167308 995456926.5 779374984.7 859398608.1 993218473.3 945435050.3 542416907.3 1141579004 975889199.7 957250877.8 939096971.2 875423103.7 790762714.7 714644980.3 596952345.1 790680541.2 680368002.1 1867428251 754795747.2 817307257.6 1407023393 970171146.3 1192375578 1099174669 742465226.6 1000504984 1009475031 991670492.5 1001097103 995826278.3 987640602.8 981632690.5 965508576.4 1012358916 cis-Aconitic acid 133281705.1 103690780.2 53517142.41 94696474.33 43350925.44 48230522.29 135464376.2 49248821.96 29450116.52 168762458 58534067.39 127699221.9 140819053.9 46556115.18 128828064.1 139890916 113608227.1 133375030.7 153103224.7 70842211.83 104987186.8 63553455.68 531209406.7 563554017.9 333497983.8 369225652.7 369458270.5 537575227.5 617672737.6 116369909.3 118860606.7 87778273.13 131522625.5 148658048.5 120853362 133822523.5 41830002.43 136578788.4 119730045.3 146703309.9 37911894.01 145225350.4 34134710.07 137458102.3 106814264.1 117533465.5 50112967.38 139388365.9 88037096.06 1410096749 539001752.1 130575541 695929837.9 355140739.3 30706505.3 164892404.5 51110707.01 62123920.25 1009429406 803912163.6 495740795.6 805174377.7 718350818.2 153561592.7 26615755.26 77536351.36 88464024.01 22695903.58 32579880.44 64900572.75 124760846.5 142957735.6 88386684.99 153975977.6 344271375.6 301492005.1 284344943.5 340677511.3 336959047.1 352191808.9 291288294 Citraconic Acid 12527978.91 5547657.999 12593767.45 17516591.31 11786540.7 7494227.723 12968638.27 8021150.451 5748880.99 5265950.16 8557432.53 5550851.981 10794100.12 23197793.55 7591265.162 8090536.51 5366180.469 7375978.324 5342534.472 7890281.694 10777424.69 19834567.19 5968730.698 40084492.15 26815624.61 7365712.13 5967484.484 11933561.15 8746228.535 9486962.905 5604311.405 5933427.321 18763138.87 47886870.31 9335389.838 5142394.771 5122499.001 6013675.145 9968231.432 5883307.194 14514598.52 13445568.33 7635146.215 6773343.425 7980779.605 10506712.18 8685617.105 5364176.649 7395307.883 7078408.055 28691431.99 16782125.63 9095310.94 13028455.82 6783205.838 5056864.79 14400975.42 16316094.36 11566128.47 16296437.21 20001928.94 11365749.98 12875078.57 6692307.211 12424062.8 7051350.386 24913398.8 7273121.313 9236969.978 10310737.75 2859811.435 6419048.618 10875904.11 20490989.9 11448405.11 12230025.54 8352222.294 13056842.09 8529024.811 11275574.5 11937857.31 Citral 4092480.751 5641347.562 3695131.834 5704642.766 2933013.136 5269265.581 6063281.6 3688470.641 6048008.172 11187173.12 3309582.291 5954040.809 7209837.816 10318608.64 10071916.19 18137653.86 4293821.606 5192668.253 8829919.339 5710071.815 5467083.458 11026373.9 3806646.335 3880676.344 4160112.92 4585389.442 2396060.934 4371139.547 9864104.438 2982539.816 2899913.576 4744287.019 4159058.832 1912354.155 4893100.147 5876462.559 3471042.046 6825700.892 5995609.179 4756794.593 4292697.892 2807089.166 3713569.287 7153715.548 5372065.139 12048907.69 6647252.533 5352509.821 3596630.579 3569161.227 2465929.515 6018587.535 3252875.611 5838129.549 2240571.123 11482657.58 3222771.058 7200344.978 5281284.906 8343393.178 2252190.377 4226775.514 4711789.248 1619950.424 2147311.598 5653714.036 2597906.762 2118945.464 2596698.573 4034590.484 4311268.589 1897240.418 5878435.595 2646646.045 7073049.608 5259926.98 5016105.064 5370337.161 5321729.494 6569643.178 6147467.755 Citric acid 1156345913 1205804169 940769843.1 843385306.3 628338568 873525603.1 1121088992 912493359.7 718831189.5 1540928790 1320420875 1365633879 1607657505 914455961.4 1326072514 1694405901 1216833866 1227402968 1588804239 994628749.7 1468249399 1393274511 39109071011 41303127090 30833829318 41916260944 39626913184 32806043276 38285007713 1517077342 1208876448 807963250.8 1242226996 1387990111 1174367181 977627741.6 619008473.1 1080089948 1398162993 1631206502 851101794.3 1346652449 826281522.1 1376872561 1076949626 1293843809 1078666031 1365869312 866253404 37531193448 32005839660 1283683599 39020230019 36406735802 536320160.1 1512320865 533816568.3 687737548.2 32462527438 38558776265 33586983072 35877553617 35604476821 1203446638 541416555 974774899.3 971906312.4 441860446 735635014.8 1138733612 1192058469 1151630509 1078359375 1325656596 14683238791 13502678102 15486421101 16062608804 16270631269 14446067407 13890432797 Citrulline 817080254.6 1251344087 1401053794 1609643547 2206697475 1637669647 568430820.3 1735310386 1603173129 734063506 2104670769 976711954.1 1395568269 2080092790 246220451.4 860957034.8 1468426876 1279525688 945763688.4 1211701947 1085488170 1310777517 1551402580 1239149176 1743168236 692798119.7 1515605222 1298062769 1517887455 530327672.2 1170687259 1619072820 585951500.3 700931530 2182609186 1932622348 2118823082 1093880682 1621702976 1120648553 1883588807 1354521522 2368167842 1224295359 1167369946 1199471166 2118065586 1305737547 153971916.4 1261050557 1881712944 434759405.7 2064952409 1921418325 2205912432 818566375 1969179331 841579152.5 2036341718 1463238090 1492874356 1101321768 1336328471 779765771.2 2461660178 1532359543 937834456.8 1725724971 1687924024 1172676914 397016677.1 620889561.3 1091015109 1073453744 832040481.1 1131766414 1047646771 660177374.7 1182321135 1164351925 774140637.5 Cotinine 1475487.766 1114359.778 33638427.29 997418.5117 56432225.87 836012.3961 224691431.1 951501.6237 892858.9459 1034700.606 120004918.3 1222314.722 306385475.7 884606.1239 2244287.012 959121.1631 952162.0463 1036943.469 127063841.4 795707.6205 1064539.636 1245524.669 39943955.11 59804439.23 947630.429 774673.9878 123240538.4 636666.9373 1511452.331 1227219.174 1252642.487 900110.9217 35965317.94 1066633.333 236688395.9 1170521.842 11184932.22 957596.5813 202039623.3 49664328.88 49990388.97 99950947.39 827004.7827 880414.7541 1060570.875 143310045.6 924545.6564 880147.7972 1055273.633 975390.2025 93865745.24 1037416.627 969125.9347 46429018.35 31343651.25 1233254.979 753945.6092 896578.4022 67868736.89 19199031.6 976597.2533 98349716.21 26402024.58 93172041.62 87740984.66 27335830.47 277636805.6 17799651.24 968697.7205 988291.3458 759203.9768 929390.3062 1056352.007 1010590.986 30925516.36 29660426.84 27249126.85 27684130.41 28844016.9 31878580.78 28793131.76 Coumarin 40907202.65 37757627.46 30418114.26 63076195.18 39012264.84 29133914.02 44791184.85 30850792.71 30167992.27 41332550.5 30334008.65 46336504.67 50494132.08 36260078.3 34971345.76 23763892.64 41259650.47 51763471.63 72400242.78 26208725.06 31351536.93 32000746.34 27110721.13 31238844.51 28728982.67 14641544.92 26114350.99 30013883.57 19662747.53 29459939.92 42272127.04 59768673.3 39858244.94 37277378.18 19976184.55 33903413.07 27422303.83 44360017.16 25598841.54 45219251.55 27409175.92 25006889.11 24185851.75 48751801.51 59025238.08 25722296.05 37105543.43 41974887.12 29198322.58 27250536.69 25010135.49 29224990.64 23687361.82 30697598.8 25397252.78 28287642.95 47167695.57 26584865.18 19441748.97 23396860.47 31217537.68 22638316.21 21076892.16 66868018.3 43163601.96 45764813.97 40329446.93 27780700.62 32848416.81 29203893.13 38438449.73 27539359.45 36833799.91 46139724.09 31294528.29 34213769.64 32941481.28 30001748.93 26161621.56 35965872.03 32199556.35 Creatine 2471514572 4095245781 3895336492 2507777179 4291311073 3944405359 2770462491 3909670617 3942412358 3706093653 2732086018 1901879077 4643456371 4081067642 8070038648 3551100574 4794599045 4156658779 1817133004 9316527937 7999854287 1297034297 1360569217 2014857125 3735514902 5658720180 3329698283 1397370959 2041788635 4078781011 4266791844 4633445132 3221180724 3399963989 2705894611 6809063462 3379268507 4062423528 3895415479 3692663769 4735990027 8126082417 2814805308 2669264307 8084746806 3698386151 2710292093 6176571543 3633343626 974393253.7 6424222843 2154626944 1688032987 1200527035 6977739228 3709651901 5061424424 5061292010 2204476001 1550445723 1760479287 4823206626 1175824174 7699608546 4452518427 5553897173 3309893121 2687083254 2896901880 2300408503 4652427625 6072286922 5503186320 4656837983 3832523385 3596976941 3642343078 3744813777 3551407696 3776389161 3719481451 Creatinine 7656737972 9699204047 8615396819 10151277410 7396681656 9371889235 10886464187 8143478845 8666913116 11664147708 7718194492 8968683371 10050538985 7753790755 9887082365 13367840594 12072919347 10815520823 8744069666 8324324054 9469308468 12391675295 8529586550 7032426917 8305013611 7066705387 9479208839 8700073276 7964630322 13674167875 10653343015 10000342817 10354331865 13215985006 16834001806 9186876423 8649387007 9237229898 8817891517 9003147484 9074531113 8795508147 9328283118 10886314339 9447867486 10143012028 9406761860 12135533801 11474767563 6033671074 8450937210 9621890660 10057226335 9223586275 11275315865 12995320698 11752853102 9027899371 8274480208 8692375865 9529640027 7846064002 8625253890 11575876979 12977497825 12131310793 12319982435 8589794579 11004048093 10873522185 11583456636 11595654648 11806304292 12975505241 10474249107 9139887974 9547872293 9732027143 8006018611 9904428910 10532588663 Crotonic acid 24691394.77 35044957.12 21771267.62 27543347.52 15213073.06 26943773.77 27328820.53 30000402.48 14570945.09 24708641.4 22993369.75 24699985.3 29783801.31 27337484.7 61178331.81 38839687.38 20540152.39 33894801.35 50955629.84 24330604.56 29512119.59 27747441.31 87333507.16 139839047.3 119654144.5 108305020.7 96383972.39 101862783.7 122711871.1 37396099.71 29158403.43 7746761.781 14676106.38 28483966.2 52872832.63 31277867.37 14545570.21 41110889.93 19510991.61 27674568.92 20334563.92 23296642.4 18410254 40721142.38 37640865.7 29389313.03 24781914.31 36510203.54 13520041.87 117861215.5 102574691.1 19936326.86 84917591.51 105255977.2 19198573.29 22127458.18 20263495.68 21845064.19 93413561 117601183.6 105792961.3 100406233.7 105384415.8 23395148.48 27275908.97 28783411.65 33860789.91 5959321.239 26210064.71 9561186.598 21014829.47 29393586.08 37038740.95 36381201.75 51950713.91 45761140.81 49537414.28 36091429.94 47423630.81 49545260.61 49766907.96 D-(-)-Mannitol 16365680.84 11653698.45 6511032.929 31963424.93 8483010.902 8947519.626 13352021.06 8915534.051 28209370.24 10723620 8641309.477 11315301.82 14431267.83 16866703.96 8868139.687 10852562.25 47525344.51 147128359 10666204.99 6369741.455 8219973.934 17859569.06 8342333.568 4145888.77 14736140.43 9370397.192 7436632.978 3845445.479 3940009.872 21487722.14 12625460.66 10777354 14686231.39 22599379.24 51849519.82 9445203.224 16343855.79 20831870.88 13854201.37 8857407.184 8921890.924 10900048.93 6419413.125 11383779.35 33722435.71 9515502.178 9484393.472 7781325.636 12033089.4 8147971.874 28956430.26 12595114.99 9357910.333 5543077.229 24566629.05 24263383.77 28176560.61 9778060.286 10949527.68 27682748.22 36006089.92 5220813.135 14817535.12 112402967.2 13942142.19 7522717.356 25424012.39 16235191.53 13728019.21 12479762.07 11001820.63 73199138.5 11981403.82 27957974.51 18941018.95 18822760.12 19404140.04 18921884.85 18570418.7 18056372.48 19606691.08 D-(-)-Quinic acid 150494684 12792269.62 401220962 357956096.1 120112030.7 53550021.68 235630531.5 1481798.086 842636.9013 35213223.14 5109219.985 3272172.812 16513237.68 247730369.9 25001038.6 899010.2362 18786852.54 6664079.23 11089825.01 70518101.03 99113935.62 161743035.3 6211401.781 91085638.36 37970610.28 5326414.529 3995894.98 5199349.249 49204951.63 108817065.5 8742616.058 53811360.32 301715735.2 610162166.5 3757859.046 55460665.63 3791504.821 4248451.586 37948828.69 26007679.62 594678483.8 6341051.16 116056294.3 3957818.1 4344286.252 77015615.61 3800204.492 850709.411 60527833.02 1070917.52 5156797.203 24582534.56 92659533.51 27009826.14 23594621.26 1083191.344 39732980.25 49766785.81 2703002.393 2929502.928 37001256.4 11424132.3 35357994.76 44863322.82 96397952.21 2297984.744 146831237.1 126145177.5 70227449.29 122194894.3 22456886.44 72920900.12 12357952.53 344111131.1 76545772.75 74776244.28 75547370.46 68645449.85 75270188.48 69594025.95 79542599.13 D-2-Hydroxyglutaric acid 9435021.525 12074896.13 40154808.83 11816081.6 30166706.11 32002315.98 7458056.83 36448814.99 38360448.41 13584546.03 26010554.88 15315324.81 21756895.08 77393524.47 10080057.15 15899910.7 15839490.66 7566131.295 10669025.72 5212033.805 14110183.78 11394945.97 54112021.72 40976269.37 76514987.98 53563382.87 68365991.09 48255369.37 69642063.51 17124363.32 12568981.44 7059820.726 9759633.391 22325816.21 25782405.16 10896650.83 36391400.07 12481613.06 14300889.34 13379716.89 26387512.49 41333607.62 24063196.32 8016596.195 13259101.02 17537836.07 21847784.54 17240137.42 8327995.596 55806823.52 69777285.49 40482829.59 51455322.27 64530431.8 39543266.13 6981879.822 47613226.58 9726834.832 71979923.59 79421366.26 52900577.55 67751471.03 82790215.59 16710313.34 26570331.23 10036602.02 13698014.95 21741467.93 24633835.21 36643697.62 9103472.49 6209776.976 16179575.6 15626271.96 19601906.19 22542883.11 13825408.44 17879995.06 24340923.45 20328085.23 17514764.22 Decanoylcarnitine 16432505.9 11446090.21 12884966.42 14224317.31 11273467.03 10632925.14 5731025.917 32384993 22852356.13 14214800.13 27775080.72 24597154.13 4448009.711 7597917.379 14794091.21 24292027.63 9300719.177 7596572.748 9347208.967 21669071.92 11573778.99 13416372.64 5067965.594 5397495.824 1582161.744 6175987.764 20154220.51 8397503.713 10639108.48 7816277.707 7717531.602 6013051.041 3526579.226 12170210.93 19380855.82 4863194.687 12133807.92 10547622.55 22638800.62 20378104.58 18244667.92 58256509.43 10618819.74 4072351.285 5473708.911 13557651.39 7720387.042 29967909.22 30635577.74 8121332.911 2394245.684 38934600.26 10697187.29 35624210.76 4142576.323 11038621.61 2080475.086 2935310.42 18310721.53 2047854.356 4923598.556 16128549.79 9163064.135 628681.5625 8402372.845 8788442.429 3993869.165 7642093.871 21405809.93 3360569.413 9136323.717 8314011.973 16606781.76 10022250.68 11301698.25 11690747.83 12153341.93 11686963.23 11784143.92 11853290.4 11255899.54 Deoxycholic acid 9979900.259 20009024 3644161.548 47442775.47 56858298.14 2430557.404 8088558.124 18490446.7 11652406.41 29034010.91 33412185.17 46124649.43 63205662.17 27378396.53 49987687.25 43769199.15 25759091.73 22107899.42 22797894.88 4415331.544 42999970.69 31831385.14 10315400.99 15308937.95 33294082.51 10412258.6 14817620.28 18975160.11 3367886.057 28679782.19 33489183.26 76034629.54 79074253.18 18738660.12 12787763.83 23763650.36 16703554.27 11956342.56 22071391.92 9088576.737 23644141.27 88790812.12 13537181.84 9302860.361 25218768.12 48201305.13 47152060.67 18642307.16 6288496.616 12591027.26 27245845.49 25907324.69 3838646.437 5549955.958 30196792.54 6194325.823 9225349.657 19592331.96 8254003.288 8141733.922 57017114.32 2031664.011 18346282.67 39574272.2 20889789.47 47400118.32 36347724.1 10764939.42 22800020.87 26133057.8 59015157.85 93772506.48 36288111.64 52268283.42 28974007.87 19732533.36 26998949.94 21356559.77 25237187.56 21596125.41 28373658.56 D-Erythro-sphingosine 1-phosphate 10017362.86 10643384 8678651.189 6933325.842 9804945.359 7139420.323 7920575.505 8785616.639 6591934.588 10507904.41 13292596.83 14390930.9 8645346.247 4143551.22 6559665.427 8958510.918 10650811.68 7308077.754 7138604.923 4970626.326 7670762.314 6958495.604 6875009.218 6009673.374 7657487.475 5727055.884 5426822.925 6925432.949 9005782.814 10512598.14 19749916 10257738.23 6684337.547 11082652.1 5812205.129 2827679.453 9714622.88 5314460.718 9059943.715 7213693.754 9725354.84 10395394.51 3943056.101 5003571.796 3618043.217 9178745.402 5630930.022 10073671.77 11043036.87 5245265.955 9897503.407 7035594.289 10074917.89 2217984.2 2911157.295 9924811.353 1741722.513 3307863.874 6421396.917 6951846.391 4041272.995 5360774.712 4231417.241 4352582.182 7374114.068 8903918.247 5493121.507 5218340.253 3934338.154 8871718.115 6012471.925 12243436.77 2474217.667 9030151.299 7278649.363 6138934.089 7125032.685 8352366.516 6145465.213 6541114.815 7283131.124 D-Fructose 48471358.33 19810149.21 35614863.67 84099313.56 26196016.72 29905796.36 159966106.4 21005186.12 10993663.82 19676788.12 45943030.77 22638779.18 79833515.84 75434995.29 13331635.27 16058225.81 21767826.13 16218688.42 27941325.21 6906463.156 29075112.48 50513397.18 61942178.41 69044487.17 7073646.279 4299047.138 4961067.888 3672415.071 5420468.35 337989739.3 18967568.19 27565531.09 84678843.17 78354851.63 31945002.98 22632552.66 20118844.36 187806372.4 13962376.6 8510561.185 14165171.57 7921306.417 10650097.05 79030777.12 58848399.86 28230422.98 4542921.66 15101628.34 88575975.33 3469844.512 7671245.377 8544696.837 4005854.097 5833705.449 43760964.15 53715560.02 296232574.6 43770220.25 4997775.306 5150770.565 51759091.03 4483120.237 4271669.653 19938939.33 30851234.15 39375938.24 146954655.3 71486548.94 11516816.54 236174079.5 100590669 40200156.4 7173051.352 219650465.8 61030074.08 58883694.22 53571466.26 56487611.71 58673054.27 56253649.44 61005020.13 D-Glucose 213572908 273839837.6 256021242.8 253245757.9 246543158.3 331324219.2 381016210.4 347611200.9 346266209.6 369430614.6 304799889.8 262676814.5 478759704.2 355780731 508992663.2 461396351.3 219283375.5 497652450.1 564687389.7 215084629 244223534.3 275540113.9 749464833.9 994700392 563283567.4 830844291.8 685651037.5 901069114.8 1070102444 335569024.2 375679432.3 74746444.78 209131128.9 292675064.6 580079193 352762398.8 118389390.8 416335892.6 408634962.2 307973397.6 298731073.6 313518684.5 240564106 482551958.1 508930964.6 241118612.3 292406580.2 367512484.5 177776477.3 915656981.6 706523319.3 247360846.7 868531257.9 837313443.7 207927455.4 340571620.4 343495548.7 265752471.3 1016506520 785894781.5 794590424.6 741703721.2 854825679.7 274117596.7 322886930.9 377579064 416321092.9 73649423.47 302898986.6 123415370 252655922.2 321400529.3 401720766.8 371495370.4 439178381 472980790.9 407959600.8 321032097.5 345540479.1 485833805.5 447451710.5 Diaminopimelic acid 6247444.55 4691449.912 4766653.04 5180134.24 5444453.377 5456000.235 5120999.53 3067563.755 4145296.388 4974254.85 4420324.426 4865661.45 7196143.25 4065117.339 5001479.805 6212555.936 5329336.376 7808014.36 3304020.069 5502382.953 5736517.108 3654713.452 4454692.166 2982241.128 3308740.825 4465156.806 3089853.511 3005898.826 5691190.55 5846498.912 6914026.639 6007877.462 5546036.501 5899562.767 9965567.569 5910185.47 6495176.693 5052493.062 4322591.693 5290073.239 4163922.753 11713334.65 4972736.905 7832065.667 6948480.793 5716899.537 4572031.771 4086534.45 5909680.511 3282712.057 4275204.572 5200082.905 4482143.328 4156217.716 8622214.772 5830102.046 27754587.43 8948492.921 3990064.633 5620019.39 4985082.355 2695658.842 4758865.685 11220336.77 8131418.662 4851709.811 5423032.639 6706920.575 6265123.35 7414203.952 6407343.063 9700979.414 5358009.158 7799066.561 6569742.489 5312723.055 5147169.084 5199080.497 5118959.88 6830944.226 5646356.87 Dimethylglycine 686516540 712726316.7 592448174.3 432127221.8 562946601.2 385997342.2 461306725.7 538464965 420573758.8 410118040 411295289.6 480677819.9 900384248.1 349861849.2 490914252.2 825821531.6 356975696.7 376090492.8 906276303.2 419213347 646645264.8 722670580.8 278994654.1 333995979.6 205099831.6 316180267.5 448394013 676836116.2 424742286.6 698543470.5 765854007.5 389092326.2 819447023.1 709252811.6 1182732537 470383221.1 351776624.4 593660747.2 471592976.8 709504513.2 758570576.2 608165297.1 398447691.9 558836844.1 555185388.9 669408107.5 798399009.9 638187463.7 284597992.7 455702881.6 558439242.6 556348453.7 778116023.2 335111378.5 746398665.2 570614976.7 524496257.1 500824278.9 712514449.4 537914728.9 422523385.4 369894461.2 285273900.3 646259020.1 663443848.1 484467498.6 394539770.5 372554760.5 376950403.1 734664417 1113253649 916831327.1 719351323.7 1084265552 512971682.1 628850311.2 452547096.5 505468348.6 671447375.2 495006940.8 523240336.1 DL-3-Aminoisobutyric acid 8490818.419 19822455.65 12560891.71 16167617.39 21246207.48 14456752.97 7927722.35 10523540.29 22787206.49 20486283.18 10493969.29 16204027.94 8175490.055 13834200.83 20670777.11 9836356.671 19625832.3 23130928.74 12884779.68 19402735.44 13916195.26 15857287.59 9503518.593 9771786.127 6210004.466 9166316.449 11147504.17 9960563.01 10739578.62 16305918.71 13347789.25 20558389.38 12985138.72 9196884.484 15136923.05 11116669.67 12194539.26 14342487.58 8681994.732 15868215.58 14956316.3 17869334.13 11931920.12 8660711.747 9982134.292 23540068.98 13776449.64 15520272.26 21635034.22 7659154.889 10205724.64 18143104.51 3675425.053 10025389.69 18267727.26 11843921.23 8946104.579 9219005.399 9995832.987 5895020.587 7912167.921 15603789.85 6405161.723 11404988.17 19927062.18 25424231.34 8503472.672 11318484.1 18721552.85 14904060.29 19969067.86 14299417.13 14562511.55 10335668.07 10777350.36 14256502.01 12303188.84 12402923.65 10936317.2 12085995.02 12585083.16 DL-4-Hydroxyphenyllactic acid 36505772.1 48977833.23 64445161.84 61092225.87 57825806.88 59186270.68 35331735.29 48003588.64 48233558.16 113598480 26576347.87 46219818.01 82810006.05 98886784.87 46662248.2 40714507.53 78415111 106906105.7 154608995.1 32725675.87 29021444.17 67346107.57 29538782.53 31748361.22 38576092.68 23386837.84 29718469.96 39863200.9 24236220.99 39019500.7 44381003.98 50154117.05 60108435.14 46647521.27 36883740.93 40128187.49 44180346.1 53431759.6 34504482.53 63128649.57 36213492.46 63147902.76 33381352.2 45677882.33 43944171.97 57248949.31 39111672.14 95943592.45 32544519.94 31118595.25 29835816.79 65621007.14 22375820.47 49728392.05 36139805.7 27919718.23 30994092.26 36971077.47 38405378.92 47513812.3 44098672.5 40505502.08 29860583.08 91272374.49 43443463.96 44099103.52 60980894.85 36664089.04 60233999.09 45681319.3 35627192.87 31254593.83 54043136.79 76940342.95 47707252.01 43104767.42 43247023.74 45782830.54 45825246.95 41594447.19 47697661.54 DL-Stachydrine 21275900733 1228248628 3627244541 537940882.5 6506583713 4583947794 9419975508 444648665.6 1744204348 927894730.3 6530503871 33176631.72 1810092213 315274962.2 417163873.6 220192087.5 194809572.6 1000819159 3125116900 635798449.8 1387276950 444210534.5 1442426710 986998219.2 8687233323 11039116439 419879801.5 1242849407 2365924652 1488963176 2034852033 111055814.7 853868006.9 1422968953 1185761296 1571637509 496790278.1 1697866485 2718718889 1048049526 2253223774 514780452.8 158535293.8 355170887 1924728663 1128146238 3029654786 83019789.93 1982806103 498791318.7 272189553.3 332688950 640593300.1 778434129.3 11604251154 2657602889 5867852648 28735047926 2652882219 1561714012 456157701.4 191321963.6 104441723.4 6227699599 824384307.6 129977139.7 65963072.62 13312274941 347589127.9 15788219803 13855213061 1001517177 8636735188 2610851146 3559729979 3852789853 3479135537 3767823157 3698303546 3592343808 3638622816 DL-α-Aminocaprylic acid 2306282.276 2293053.502 4034249.33 4449891.358 3937082.144 944028.839 3003130.913 2819242.688 2474482.818 2663368.578 4135317.948 2870539.544 3108192.796 4397399.487 4811014.85 5032051.853 1580479.522 3443062.001 2385891.319 6449174.056 2189271.493 3516378.965 4247989.401 3821752.594 3042489.01 2868535.562 5179368.113 3352010.972 3628374.872 9297996.548 6110607.913 1746934.451 4178599.002 1992431.741 8289171.19 3096986.581 3340101.293 3652346.953 5931809.526 2189922.095 4832807.465 2254194.959 1142995.225 6810809.887 7123627.509 14719910.38 4185762.395 751440.063 1939169.309 1221789.588 1824416.792 1884464.12 3977569.491 2289214.311 3815979.342 4139051.292 1054192.933 1483364.28 8897631.484 5255430.712 2690128.151 1500462.539 2310575.847 1407011.397 7696194.442 9730782.302 1087907.355 3698066.83 10914026.05 4868086.969 4542916.936 1693694.648 1443615.922 5326244.325 3819195.35 3891503.049 3673029.882 3982446.942 3581441.222 3546327.613 4036002.488 D-Mannose 48857587.7 26005732.03 25569266.24 49746842.02 35347864.5 71611356.5 2943682.259 59392790.79 1933041.176 63207755.67 28026360.68 41351962.08 86584586.1 1749097.156 2733103.667 32948765.9 29255265.34 3440118.183 3897303.227 53991191.9 51427523.56 3777608.601 327923450.5 327958137.5 92849879.34 365777235.2 547071470.8 384105636.5 509862415.4 99544942.38 1793385.122 14838904.35 43154364.18 48973497.86 99773812.77 2038920.3 32606713.96 2021448.468 1840474.819 72144402.96 3222409.928 2483860.949 36713301.11 5642694.407 1151031.045 62068024.05 1743824.755 72431217.64 14933290.39 456291938.2 431435964.5 35055583.52 393312231 575918552.2 40601413.35 45664603.79 48506896.92 2214443.289 381878177.6 728416623.5 324248631.3 437919559.6 391060088 2459478.306 3031309.553 1076619.023 76010386.13 15137411.44 1798007.709 1445363.543 65981627.23 2770570.8 2646257.569 98991637.91 213486689.6 191054532.6 195979079.5 219222692.9 231223112.3 185020460.3 203936741.8 Docosahexaenoic Acid 42546647.68 60256313.05 35493705.55 15671778.97 40199471.55 66158593.68 26074692.75 54545972.5 36391069.96 82542423.79 37800339.77 62824228.7 11324133.86 21751551.79 65250670.66 84265959.56 70520810.06 19334150.98 117079018.4 31162158.5 34530148.53 48808162.82 8269804.712 26931125.29 7672935.882 36559838.6 15954049.4 36507171.45 21574686.4 37747446.57 33522977.19 37638845.64 17477184.4 79067571.08 29205036.26 48328768.52 26048141.81 18769392.11 53073800.72 45818108.58 30427048.43 60309131.28 37223334.13 23830773.4 44355900.13 22061958.16 43825632.55 63162407.23 25514157.47 114606816.1 17367314.7 72280580.36 14918736.93 20135645.59 19507234.08 34769086.56 32366518.37 11481698.44 8806924.119 6234263.487 12267922.77 53664228.82 71821779.87 13007409.24 21817301.15 31618945.84 15150275.53 88043481.32 52331519.91 32394818.59 11966098.2 78898795.01 92649749.96 57218239.35 38098282.1 38629428 35592081.93 42377161.51 25992350.52 41116074.81 39347442.91 Docosapentaenoic Acid 12694165.98 15601162.67 26295971.97 10008830.4 20771154.36 19634918.03 18811406.58 38965651.66 35425528.33 26949041.99 23457602.41 11091019.95 5140015.958 18478842.1 20380412.01 36176822.26 20038915.14 7728492.103 29581943.23 16229029.07 17631251.83 12932156.67 5803606.319 11309707.51 3921293.371 12867819.77 8208505.674 9092841.259 10245584.94 17632458.99 6685577.768 17638178.52 7408724.165 35933614.86 16872801.33 10156370.16 24848321.25 6258669.62 17270840.19 28874782.82 24864092.89 27368633.75 21190721.39 6774324.315 15279578.77 20133873.15 13785940.9 33111401.71 6146008.676 42573975 6303538.734 47188110.49 3062694.848 12504831.87 7313904.855 15258180.37 5367123.249 3764960.212 6894508.53 2682889.859 3224146.451 33575608.91 33269415.28 7607339.194 12838746.87 20966178.58 4563707.508 38885607.92 16667260.25 12887349.01 6346137.544 22964092.04 36953422.22 17354507.52 14013772.92 15147721.04 10741640.14 18244485.2 17074964.01 11083552.84 14291133.59 Dodecanedioic acid 2797905.855 2943517.741 1447637.805 1165957.949 2173670.738 18382253.75 1054497.234 2421397.628 1411198.48 2277614.383 2566645.99 1656040.679 1987719.386 2165488.571 2923383.7 1759219.044 1495579.756 4831259.88 1185370.883 2343266.575 1346439.994 1454187.294 1232594.773 868195.1193 1501179.305 1198331.852 1577876.005 852462.4947 716427.5345 2241519.887 1374601.048 1925686.354 4234974.524 2351876.021 3098091.523 1862703.476 2869252.279 2722189.423 2624561.584 1542965.02 1252922.781 1807860.435 2041152.378 2639331.287 2392321.876 4962843.077 1861700.973 2203890.351 1551352.535 1187597.683 1568444.099 1299113.796 747990.7396 1801193.523 978701.5392 4468937.159 3988510.081 1351452.682 1174048.891 1401607.596 1147785.829 1449015.46 5480722.223 678940.5096 2366152.542 4327560.152 845709.8465 1808352.163 1419636.48 2315180.531 1224004.974 933899.8729 822868.0802 4317980.29 1978956.95 2186581.532 2226763.639 2047253.732 2458142.765 2046879.75 1986898.511 Dodecanoic acid 119480058.7 76698082.72 110311188.5 12210225.61 41974880.13 2073424454 18001451.85 65670526.7 70943907.32 59823949.24 160810110.8 73608934.86 27509953.44 182274925.9 31599654.29 53839631.23 67733313.56 303947948.3 32981349.62 155871002.7 46447181.73 39389706.66 26615823.91 70008713.97 18809084.25 29605581.11 75759662.46 28664101.32 18543107.46 16818237.95 37899847.01 92099497.09 180036722.3 136202934.2 39460914.13 56636723 80303667.91 33093697.7 159902123.7 61817290.06 46061491.04 42105050.4 65537470.82 133721695.2 32291238.75 46407872.61 35574578.12 75843978.38 32023232.71 68858200.62 28096747.92 105559374.3 33269225.75 24019989.04 20912487.24 118105142 528902742.6 22381875.48 23856160.81 8243997.435 7433069.251 33022453.89 152850397.9 18844658.81 52366413.31 74905138.65 8288204.808 124609164.8 81381159.79 28922417.5 16814791.34 20377734.59 39666456.88 50015269.15 89906201.19 100159452 93836109.05 99430608.39 94739710.4 88064402.42 97114452.77 D-Ribono-1,4-lactone 3328150.866 3398263.681 4644466.011 2265731.798 4342963.897 4240342.023 2335736.921 4028081.719 4875604.269 3196006.518 7010310.152 3349840.732 4901691.863 10761640.75 1450304.949 3622586.458 4035286.862 3826092.825 3529661.675 2905793.78 4499296.781 6027619.574 356104121.7 313801589.7 377818878.5 326089622.5 396083358.9 338407096.7 376947228.1 2401363.214 3263284.158 1241507.404 1188424.613 2758058.874 1737371.804 1998341.005 2237346.782 1456182.914 3066634.679 2974936.887 558540.5543 2108373.386 4951789.249 3003039.75 3099011.028 1865225.888 5272055.912 2151161.088 3123376.108 332425104.2 438792951.4 3637991.077 357131076 416278387.1 8945161.845 1859140.57 7501934.24 3822588.275 369000353.6 573613941.6 311106159.9 370290158.4 373845815.8 1570046.406 5739569.672 1625743.053 1290475.004 2968303.708 4376058.251 5806793.774 2302478.769 1759688.834 2599523.277 4113248.273 64262594.65 70513286.27 74959070.98 72415153.68 64117263.75 60846696.15 73723633.38 D-Ribose 5-phosphate 515195.9963 502017.285 165211.2372 611364.4984 166654.789 135752.9688 1152768.654 650209.6118 632223.3487 594490.6851 378690.6213 933625.1607 443814.8216 1234545.888 752736.239 538061.1415 364934.982 397962.6092 648228.1857 402314.9954 405431.3591 456325.0239 4334348.526 5004034.465 3356576.081 1538934.583 2719159.69 3593207.896 1660571.323 1217813.463 536148.0256 870415.2395 896845.6979 433145.7085 411868.3197 412496.945 290759.2622 686190.8873 535807.8886 514587.6466 325508.9158 394942.5112 151033.964 427196.1625 398137.0585 689328.3543 237272.3891 506560.6717 1331823.789 2574050.141 1733609.382 560508.4164 634149.3682 386002.0468 260839.7819 709653.6214 191420.3191 410707.8079 10980466.28 2278889.35 677318.5795 4360635.923 1465409.777 755402.6814 426887.9788 424252.1717 371293.4419 519168.9921 227493.0948 2168362.695 1055613.332 580470.7701 340483.0071 292552.4762 540786.7896 520835.5501 595644.8931 604505.7101 552115.4815 529584.3051 586823.1099 D-Saccharic acid 5024695.93 5253294.361 2401199.588 25165959.52 2112673.479 2509235.967 1216547.03 4443610.37 1740978.451 5495424.189 1881723.94 8177788.933 3588765.018 3316709.206 2686895.438 2577928.127 3182425.047 4265256.138 6202981.908 5901151.531 3411571.278 2262006.131 10183697.62 8214216.326 32654074.15 21255144.63 11856753.75 41087149.1 11866197.52 7683750.891 2699818.224 1646741.668 2898846.624 3228106.851 9889705.243 2129110.303 4671259.248 3532152.331 2115716.437 8477831.478 873017.1846 1039553.741 4982052.235 5627720.261 6006082.996 2998917.51 1250058.338 2741835.946 9810969.59 13526081.13 25125023.84 1299463.084 12252989.57 34748109.52 270378.6519 3666332.58 429496.3398 8194126.445 23441784.47 11830149.81 15958628.89 16043869.97 21025477.35 4144674.779 306748.8691 2273053.73 1318823.309 331859.8781 438565.3039 2233404.71 4583858.94 3152851.575 5452833.886 628894.8753 11137500.07 5293499.315 11231546.77 9771408.83 9041853.402 8874706.706 9364531.39 D-δ-Tocopherol 9485159.933 9541490.434 7066588.088 14420055.67 4693620.774 6692672.217 8158187.241 5560178.391 10222294.83 12843482.8 3261518.73 11081746.98 7719653.619 6702306.841 14218239.36 18534137.25 6873899.358 6099714.082 11203343.11 8736245.294 8496678.462 9692968.098 4463899.239 4852902.119 7624740.62 6169367.593 7716968.381 7826816.494 9001896.462 11629681.61 6924429.502 8485076.947 6791562.056 3550129.274 9903420.487 7984660.66 2930933.488 6811897.503 21474286.3 7181960.707 5324480.821 2698274.843 4107830.236 8595280.897 12087709.6 11936311.48 8425319.885 11463248.82 3878874.678 4132705.233 4438482.869 9042216.452 6544972.732 7316567.127 2966115.665 12509522.49 3445846.828 5011315.936 8747813.561 8688106.139 4768142.922 7690070.863 3549801.344 1277817.844 4595453.176 7103208.392 2693956.598 5601110.804 5374096.038 6996600.253 5586194.485 2916872.436 7704784.637 4923500.651 5935496.594 6228777.556 6255204.132 5961315.369 7764243.872 6294367.724 5308001.406 Ecgonine 12954382.23 52923777.74 23081989.24 98284353.61 55917514.75 51266541.38 25269975.69 29829633.87 78875925.47 37694320.99 69240377.79 18435834.48 23078961.8 34254154.01 58635350.89 46947555.96 39894810.57 52003071.52 26966511.23 21133680.89 51164699.94 32146914.49 21053151.23 30560425.29 12146929.04 40895794.9 15278479.4 27586191.96 47346789.45 56117013.6 32564061.33 14568175.21 41297538.36 40361705.35 540105085.6 23024020.52 41939554.42 43175501.4 73700944.79 49632548.4 25902649.63 38512226.54 58316797.99 35252284.97 68052686.88 40717702.91 39807512.68 34905839.58 55227847.8 24597156.78 39622903.75 70402493.36 15750729.44 28995620.69 198552550.4 73654379.15 37217894.32 66902774.75 29554767.97 25112898.23 33626321.91 29027225.35 31062380.09 58328427.18 13657549.12 112837250.8 40984173.46 18802748.26 27967967.3 84862449.68 24763436.72 15254294.01 27436183.69 37380491.89 40574977.62 50106167.03 42778367.39 44522169.72 48213108.87 46754505.19 40555710.89 Eicosapentaenoic Acid 3170875.235 6307187.898 7068633.636 4786433.894 4236774.3 18018840.74 9764774.806 7774249.135 10265995.22 14433465.48 4680069.745 9513531.796 1985582.887 8205056.787 10258475.04 6367220.859 10540484.06 7749204.699 12164645.91 4710162.708 8846284.977 4394060.893 2523841.993 4837242.302 3290736.53 6099689.526 864423.1913 5454455.262 4927540.02 13094367 4650912.078 9045138.199 3229986.006 9816301.495 7523602.892 11714268.31 20861595.9 4936987.66 5897231.363 17367581.77 5749798.428 9441800.589 7583678.178 7683649.714 15202616.6 6322098.839 6378495.047 8653500.223 5207407.352 12637344.78 1975085.75 11841613.33 1405002.237 2425219.371 11163335.81 7143980.818 4998116.293 4514233.502 2733540.001 1159182.49 2121941.807 10243523.25 15465267.56 5906190.255 4286785.935 5008597.56 5396054.18 20265021.09 9202488.964 3003726.952 3177105.629 7797130.95 24917899.61 6953818.58 7435141.129 7359988.488 6922827.849 8275072.95 7152967.98 7160361.778 7424877.851 Ethylmalonic acid 3043177.945 3230087.129 1832627.898 3633255.573 2177523.976 2631126.779 5739438.261 10554388.68 3003163.757 3154836.566 1573820.698 4891055.307 5397876.536 2777190.533 5895249.828 4586120.514 3461133.314 4464089.626 4321628.728 4826801.836 4930566.091 4258250.522 8764181.162 16471409.9 17832810.92 10509986.7 11443701.13 24231263.32 10176585.72 3456788.994 5676923.972 3196607.375 3480218.953 5590856.047 7662643.864 3606516.102 2775529.384 7403534.546 2594292.785 3684554.564 1820644.431 5969031.862 2767954.358 3326222.093 5989789.095 4383156.315 1979198.763 4832084.387 4172619.638 14856621.49 22833126.54 3640716.853 8784040.878 30656847.11 2963951.669 3299465.941 3744097.83 5777066.443 13550251.54 24608837.59 11307837.98 21977216.91 11795315.04 9436403.251 2600477.787 3898396.405 16102121.06 3361064.323 3645039.883 4755852.504 4547390.323 3811943.506 8449063.234 4506854.371 6262814.541 7969215.632 8116663.664 6938522.13 6670510.227 6299607.231 7782439.151 Gamma-Aminobutyric acid 8683727.948 5342820.462 38347176.55 3733563.724 34735272.8 35005633.7 6263514.956 41596910.46 35611692.7 7991919.491 18057076.61 7243159.321 7518510.079 46293963.13 8397856.702 6248227.644 7515197.345 10144724.86 4392136.426 4385569.354 3823960.046 2624993.83 22912263.76 17735764.45 16127492.95 13909341.24 15763633.03 16556624.47 20918117.44 6943859.74 6727544.868 11108246.45 6022346.04 6546898.32 12120669.21 9522516.898 40738886.45 8878953.875 7537338.529 6828430.379 41707086.83 4070695.07 23840371.93 11693060.96 8767146.221 13568876.25 28685207.79 7239857.987 5319035.605 12803563.34 16655302.53 9211182.408 11257748.78 5102178.453 30467397.67 9483610.633 20812241.78 6988423.791 32997884.71 23625940.19 19168354.27 22661118.76 18115186.73 3458375.576 21599557.76 6631515.753 6070641.959 31023193.25 20899065.58 18559866.21 1489618.047 4335333.95 2871233.736 3328697.723 6337286.781 9162346.719 8961662.333 6009155.763 6461223.8 6639075.897 8638330.903 Gluconic acid 94263852.67 134793674 84749133.42 107650024.1 57257515.25 132924879.4 121992147.1 134128074.8 82511092.62 104821116 115509178 162916032 186769250.7 85165131.55 122025518.1 144811975.8 116704173.3 165785299.5 74558643.62 46542984.5 137435189.5 89338035.03 1566249787 1810629148 2454900382 1790065775 1699854428 2341788285 1816668542 189897692.7 132854968.4 64785062.63 74198760.89 122743528.7 398777942.4 106705584.2 93570795.15 111903612.5 184860205.9 140759763.1 97198373.75 56310961.62 61527128.17 155796518.7 95772875.08 103332810.3 83813864.67 172420556.6 81649881.86 1775057606 2307121892 56959979.43 1750876059 2561964312 115874440.6 144283382.1 248929579.7 129851977.2 2129522793 2308028568 2043044698 2427124534 2079751529 46940449.62 108327614.4 57958608.15 121271974.5 62124342.05 85048032.41 59152039.77 105083346.6 61049060.91 78675620.91 152247846.4 759138249.3 713423536.8 743223328.5 766180121.1 719055733.9 735976909.1 747004026.2 Glycerol 3-phosphate 351037.5736 872293.9705 3794918.837 2163177.106 9292637.361 4205169.274 1519767.562 4878397.628 3461875.326 588494.3312 5008594.755 689750.0232 677953.2893 4427871.347 737550.9393 701424.509 1253533.799 1052411.769 562944.9602 936155.9554 803802.2659 850822.3872 1884278.099 2698356.195 3254167.2 2181348.519 1657469.918 2996602.816 2562454.149 775139.4804 316301.0758 364072.7143 362451.9662 376254.3298 302328.5746 1980440.57 6163549.535 629753.7321 697809.8804 839001.352 4369186.34 571516.1756 3908029.365 523138.4115 717503.9544 705081.5485 2981852.981 512327.1921 772142.5763 1987237.411 1914649.939 497550.0705 3685387.766 2170204.744 8169847.048 638715.6291 3367871.085 273638.647 1802216.94 1545083.23 2661214.401 1150309.697 2196154.305 699910.8484 9231022.429 728162.3595 315787.9598 4400682.737 4897226.986 5210618.072 652143.9039 510492.5265 1258615.921 630399.1955 354026.0572 621906.6593 667842.6883 363935.3157 369560.9563 543276.1322 446732.3917 Glycerophospho-N-palmitoyl ethanolamine 17622475.94 11844040.43 9145288.737 5534122.982 12203923.82 10106422.61 11614906 17996543.49 7250915.668 11525000.69 5478979.596 10167587.29 20486266.55 5970861.96 6078773.583 9763123.427 9074669.989 6196299.946 6765110.513 11489977.09 11189402.52 13620605.48 8169969.636 5021379 7434267.704 6008716.211 3443605.254 6021919.039 5078273.496 15743571.77 20259216.89 7302820.419 14612348.6 13917852 6223358.54 18466631.26 9524399.381 10095510.27 14904300.43 10303932.75 10942082.92 9545971.22 4786895.119 9982962.717 12629799.35 7272514.544 7784179.191 9359712.365 13665931.78 11567724.08 12321600.72 9427248.527 9308713.425 6130611.538 12650030.94 10607147.58 14225814.45 13553587.04 9971937.857 6757395.381 9743308.621 7868164.48 7159019.104 19011422.67 14378628.51 6876044.44 14578637.25 10268261.37 13009858.3 9744945.742 8863298.969 18507463.02 17540595.34 10973604.48 9933763.265 10219724.72 10239484.73 12573187.46 10395962.57 10518612.23 9645471.39 Glycine 35470717.61 54149026.33 91484039.9 43067195.07 99277783.79 93685570.23 23954446.72 121265381.6 117126432.1 35206174.63 138078956.4 32059370.99 56388748.33 88607290.87 16246216.95 35373906.03 46833726.5 41706319.87 41960624.12 59366440.62 83502077.76 72146307.22 139694703.5 86071618.58 114414106.3 59004849.84 96290951.99 85472452.43 66787553.16 47553828.77 70416397.66 35552976.23 32180476.41 41628879.89 78350635.09 45957206.91 116891177.3 33925762.19 57685671.37 52594309.91 110568801.2 81219809.14 136285847.7 37115153.64 39009550.16 39079552.48 102866147.7 55893167.91 40843431.9 101559410.3 121605093.3 34370751.54 111947724 99772037.27 154876250.9 51722810.68 174825499.5 55137468.16 123443218.9 102326698.3 87629580.57 89269961.87 95151736.05 25486412.82 171202856 84957886.41 127907581.6 152530495.8 178380584 133656349.2 38968816.17 54475120.53 74818771.43 46078771.03 43879004.5 49313425.4 47098508.1 42160773.32 47195384.38 52277043.13 41265328.27 Glycocholic acid 7699202.619 1824494.462 1867099.015 5233431.514 38375172.95 2136299.63 21488127.56 1502201.557 1994205.664 24057148.32 662228.2677 1265050.106 15653650.5 4973324.454 5480883.673 875615.8818 8126289.122 10369988.14 138447626 973837.9474 4650914.873 1913489.789 3290789.989 5883321.008 4774420.658 1443077.818 9925783.583 2930994.192 403522.6178 4323207.675 4306438.058 803254.8204 3747428.345 4542256.214 6244427.567 6769278.248 5422498.688 27624248.84 5761014.353 1659259.728 435282.8066 5945370.978 7862699.637 8016743.981 6315454.019 3033839.757 2810411.37 17389604.77 3185660.503 1259771.085 5719546.334 1586170.207 2465274.22 6082015.671 1827723.297 15740352.82 3871587.339 16669670.63 4340956.649 8765732.467 2081774.357 1317754.156 258902.2679 22569309.61 1231157.741 5980614.428 1409802.01 5925717.507 1531764.415 3073919.607 2735789.05 1126089.235 19577884.22 12459191.15 8066003.487 6541113.913 8470994.806 6165241.661 7002605.728 8137328.106 7436281.271 Glycolic acid 6780050133 6648307637 6472487376 8127960459 6589460676 6920805578 8017824469 4759633011 7434746190 5027044025 6941299415 8817678524 9110215676 6877836872 7266743538 8985388741 9511735073 4751079224 4194581576 6982598091 7244356981 6931324992 5041965850 4523369307 5193936767 6286566077 5576243419 6160869525 6609386999 7316474539 6754172141 6671858493 3984723628 8245590521 4862969988 7202222906 6744803421 4568745198 6039782384 88315525.97 4093078460 6492311164 10904805050 8757651379 4473231978 6867033434 7604651456 6380079274 8719405077 7744793108 5418217891 7825978272 3501452802 5270402018 7298649686 9955368569 5039102030 7317856440 4184818890 5510764863 6368950122 4538476908 5512126749 4826296474 6227203400 5728655038 8137154542 5878774296 6925594034 4817451881 6539868084 7177608381 9073443865 4969589687 6485387051 7330542205 5222182474 3767872633 6463575436 6261390497 6766175372 Glycoursodeoxycholic acid 39862640.19 8205167.676 6275521.545 36151134.88 241818269 9285523.501 52530366.67 18788198 10670062.92 63538069.26 4892051.908 19295764.94 26784742.3 89764857.36 51051637.6 8286442.065 5835476.625 61432894.75 604616556.9 895769.3591 43029744.77 18959506.08 29595875.16 71131388.34 52370528.53 9892304.453 54644679.59 10687011.83 884958.6887 28406948.1 19586840.34 16544096.22 48129736.84 19428629.64 55349725.89 56809744.25 27680937.83 168900500 34691435.68 7980716.645 1613449.383 29470644.54 10386225.63 46365445.85 47508394.91 30169644.3 28261217.99 98914533.59 39134716.27 11892092.48 42770156.89 3520254.635 17307937.39 27426985.76 15726458.05 42724918.17 16197442.2 80249315.67 43912514.37 39695844.94 27011991.34 1484764.222 3718250.849 132046911.7 3582110.977 24751909.42 50758653.14 38372756.57 11453195.95 22501635.11 5502789.163 18782865.16 33899933.52 72071959.25 30659922.95 45615801.3 49365563.1 41631961.58 41337908.33 40553116.13 37216115.6 Glycylproline 130494961.7 119023888.7 302067.9024 5621669.03 287247.1897 284155.4398 255179561.2 410965.7587 334023.2181 202537285.6 371003.8878 182966505.5 193970083.4 359680.2717 142516647.3 180799743.7 136276106.9 124044820.1 198872177.8 113439314.3 126831208.3 171894121.9 193442.427 238889.9083 190679.4119 241881.612 148139.194 183401.6504 173041.4801 194533389.7 104466960.7 85566534.9 76147792.86 18629577.08 143747672.8 17222289.88 364215.4271 206301612.8 283531483.8 238964217.9 287110.5079 119370628.5 222029.9186 145314997.3 147062523.7 141761966.1 262717.5778 169081660 307994383 233323.839 159187.2702 173391171.7 179935.6092 183648.1972 248941.9817 7898935.632 265340.9851 98926195.39 587710.3614 230070.7337 235706.4701 183831.5738 218673.1389 132024672 217218.7855 140147193.7 154735521.4 339547.0213 268792.3997 334000.5353 86506595.17 2075070.285 431649770.3 134838928.2 64357121.82 69079180.56 64864691.16 65707381.79 63380941.06 66824997.06 65862151.75 Glyoxylic acid 13866915.16 21548842.57 12507929.93 14233109.04 10706063.04 18315656.64 17465264.96 17714866.03 12754123.97 12657157.41 15593800.53 13741772.04 22072554.16 17759990.99 24010055.34 17992808.56 11363066.42 24815007.77 28876850.25 13346542.2 14910466.87 14117317.31 62433824.67 64701590.88 75664148.32 58605731.1 54765542.13 58806364.41 46034486.48 18316552.66 18689727.23 4395383.116 8296211.364 12037642.3 37420151.7 17243475.51 5460221.962 32039950.44 16991981.8 17073193.5 12310881.8 12955351.82 9843287.972 23482308.02 21373561.66 15450916.01 12257490.39 20758838.18 6442124.191 62666859.57 62151847.83 12324420.34 59106323.14 55102633.71 9903796.883 11282841.69 19304240.59 15125380.54 65734548.27 59262963.95 58381953 60587390.92 64076048.62 12773923.93 15537138.82 21153637.18 22943734.47 3098714.819 10773007.02 4481323.317 15472382.29 20737264.56 20179114.04 18719171.75 27874971.46 30341159.37 30450982 25997411.78 39590867.26 25462828.15 28020999.64 Guvacoline 32029400.84 13625717.7 18423468.07 56215670.36 122693535.8 21334643.88 10427602.99 10070941.73 50996172.58 10376536.51 89300243.48 10793576.69 13777875.35 48066800.7 25777877.77 12153518.21 30916087.24 9311884.723 5572364.213 13648260.72 21292258.36 2580012.454 2919617.597 8874354.201 4848543.239 6671130.508 4673481.941 7805717.481 16158281.43 72267620.67 24174793.39 26855927.29 119172499.9 14347501.5 17041358.38 8461788.499 98032560.9 3491947.729 11962031.09 11066020 26486647.06 34686819.91 54806964.4 12589270.69 12326302.02 54025132.75 12247194.95 7505846.876 81627538.98 10548937.4 80794289.27 62852707.17 27853602.85 5189020.341 33408078.56 6804933.218 5501150.311 75362177.43 18376156.07 8234241.616 44142179.78 22269498.88 8260343.979 5471431.579 181923974 5763376.231 210505456.7 7164415.48 75206175.49 5559799.245 13797843.93 81617027.35 11356692.94 6543681.914 27657578.85 27438515.63 24918159.57 29404241.24 25163245.73 24239530.43 29682195.29 Heavy Arginine 316288077.1 424011105.6 398125433.9 315010077 265386858.3 297422353.1 286756869.8 343233960.7 307113618.1 379358671.1 387863898.9 366079824.4 362303393 341793195.1 389261776 413704580.7 354937877.8 377147649.1 366216324.6 251636627.3 379682875.6 501996912.6 321894115.3 278598290.7 277636430.8 284012216.8 217491110.9 283349242.1 324589218.3 494228159 481828799 327581175.2 470705052.8 463696298.7 308645376.1 312775889.1 386843229.8 339676968 482761802.9 490279224.4 441228167 425734950.2 389767007.6 532496045.3 378964157.7 412002817.7 419892094.4 459849037 514453425 422548923 287545770.9 528238149 345020546.9 294211577.9 270750561.6 604239553.9 316541565.1 274729989.4 288465655 349528327.2 309447448.7 339586728 296380998.7 296231295.9 417023428.6 449989699.2 282462421.7 287200495.5 421398864 361498665.3 310400141.5 376372861.3 388456494.1 368073260.3 326370200.4 302890124.5 365267766.4 363321488.8 329995455.6 322935312 326456100.1 Heavy Aspartic Acid 6587879.047 8184029.711 16820101.46 6015515.073 12980315.63 18045970.49 3169844.087 21477265.54 25999953.24 5203021.634 23422762.28 5326864.269 6767003.2 23193086.42 5288476.485 6955457.079 5366497.407 6569770.161 3748263.004 4385196.45 6741956.501 6705110.277 19380865.27 22406409.6 17930801.19 23256432.49 14910953.16 18584691.21 20440164.35 5693292.433 6103875.393 5674083.759 4035118.087 5527923.889 6110893.875 7107000.531 21301800.86 4060492.966 6009788.71 7091854.215 23782680.8 5716649.508 27148621.45 7210473.402 6575700.744 4570237.987 33046392.15 5436949.607 5237449.336 30406288.28 19487986.75 4371333.145 25549843.3 25995289.61 22935775.63 6089825.249 23449861.93 5196992.143 21746779.02 23336523.76 19761590.23 22714376.69 22170474.43 3247720.216 25405373.52 6450126.638 4512985.392 13269490.16 28364486.01 14531912.44 4407130.187 5410755.096 6666558.954 5884541.265 5502710.835 5136667.141 4271210.256 5424316.234 5332065.735 4869712.931 5278926.804 Heavy Cystine 2749343.12 6132628.205 15352060.63 5237535.735 9771217.746 14202467.16 3293793.082 14537484.6 15637569.05 3351202.264 19648491.37 5138558.264 5807380.032 15016880.95 3499095.362 5566111.118 4632671.613 6649458.835 4223020.203 4913931.513 6019430.987 6865493.612 11098140.52 10632742.78 9442340.621 9644347.971 9344113.151 10236830.89 11357732.93 7190168.104 2986817.496 3757817.607 2953863.247 5688111.762 6051118.314 7767255.227 15708778.14 4468763.46 7298810.07 7029480.162 16148041.32 5817210.193 20528209.08 7071204.437 6243863.76 6123043.149 24189908.38 8518590.537 2308337.44 12646882.55 10867243.3 4062456.499 14108685.46 12043536.25 18472095.98 4106168.29 19257931.82 4100906.005 11787796.54 10715621.74 11635098.97 11407066.09 12206841.31 5290114.548 19770318.83 5061438.528 6225600.953 10339585.18 24349121.35 13098764.55 2255201.133 2623113.299 4168291.934 4906112.701 4213440.482 4977315.947 4699434.755 2877072.275 6473014.227 5184657.345 3558353.174 Heavy Glutamate 14582826.9 19512396.57 21316994.62 16491688.58 17584593.55 18727773.98 15097555.26 26588632.44 29199591.97 15022447.58 26029182.64 19173674.29 18117356.35 25665209.93 20316760.16 20542265.01 15687034.11 21980937.51 18156076.88 14552418.16 16596596.52 18825340.1 24937938.24 30908412.99 19569038.07 28368254.21 19834971.4 21448276.56 24269305.45 18261298.04 18107799.07 16747864.41 16381795.8 20385918.7 13216907.48 19905841.4 23123958.99 16206845.19 23913557.53 22366214.18 30265839.59 19133334.26 25114631.39 19935422.79 21368662.46 15410444.66 29484102.26 20515268.28 11550852.33 38040410.47 26651212.59 19140093.28 23806836.19 30953934.58 21405176.06 22803077.33 25992925.32 13463718.1 27634830.78 28708194.08 21228786.88 22883602 23555540.74 14853247.88 25040655.53 15434528.82 17396853.33 9688983.737 28698005.77 16440086.08 15099468.41 18695016.65 22343864.1 16779472.26 16829785.12 15906421.17 19338440.53 15808031.93 13251127.33 18413612.91 17013310.76 Heavy Histidine 386105001 523160282.9 459786782.9 566222238.7 349872195.4 498542703 460242075 596239793.4 672021152.2 467332040 618195317.8 652220586.8 646263595.2 615333328 540468045.1 688222582.5 475669194 736780502.2 671848075.5 478593830.9 575742464.2 683080632.7 494142443 492063609.9 409231445.6 395133014.5 369808540.5 394690120.3 442745932.9 574968814.9 508645609.3 318242262.4 457645779.3 616297272.5 398613773.4 590524958.9 475399414.8 552891588.8 757054286.9 708862853.5 553254093.4 599774229.1 685256443.5 655590483 571097933 523593271.1 638752004.7 679941721.9 519918079.4 516633273.1 399179615.6 513289646 492700490.5 506520424 442236975.6 714782718.7 549281420.5 431013141.1 490341009 495840702.2 420532661.5 428189091.6 418265209.9 373045916.3 537947679 466777537.2 456144734.2 258224340.3 565406789.5 339418466 406101364.6 542250673.1 561127901.5 534072209.6 351250993.1 542577148.7 552394339.1 495148841.2 514757128.8 460955800.5 439645526.2 Heavy Lysine 48044087.34 60012333.7 50227242.78 55527934.36 35364189.61 44521826.12 46754181.71 50200013.34 53561319.86 52165938.2 60498291.83 62724107.46 71001935.33 52751520.55 58795252.29 66819534.34 48925501.74 67968417.89 60865023.65 49701895.43 61872529.49 74324412.46 50805743.59 52990501.05 40215243.37 48809260.3 40816248.12 46689499.29 55766104 82746002.42 68192430.83 43769711.76 51171536 63932267.17 51610155.46 56335801.76 52618512.19 54221750.88 79011620.68 77175426.81 57143179.31 59847802.32 68049925.22 66946667.93 60761135.96 61946625.52 64743860.73 70620507.44 65665828.69 55973876.42 48248665.62 62433613.87 55233228.23 53177692.37 50128630.43 85629211.46 54329507.32 47366364.8 57210725.62 59769547.75 48794809.97 50370693.34 51828506.59 49926820.12 63196567.24 56471788.6 60652293.97 39399115.21 60610719.67 49230609.12 51632991.75 64242069.89 70568818.36 64988204.26 52690436.08 49105941.58 59072745.93 54629052.1 56383280.9 50407880.33 52623028.15 Heavy Methionine 342077479.4 422943811 306473507.8 387203439 279168588 308401005.6 310606115 330420521.8 371345642.1 331874730.9 384969628.1 436512898.1 425669905.9 353510415.9 321242898.1 441472152.8 302933419.8 380048464.5 228307889.4 309410306.8 441638556 457307481.7 306064228.1 318644254.4 288353268.4 305656796.9 273233460.9 275487853.1 322851878.1 447911437.1 403516591.5 256883251.6 316012073.8 397199980.9 316907914.1 369164004.4 374754507.6 369543078.9 468608498.2 474507067.7 374283149.9 358831565.6 382571226.6 411563627.9 373564726.3 383546778.2 435578879.5 486595283.8 424589372.1 340511992.8 322014017.4 392368489 389546596.5 321962199.8 331082926 455387918.4 330600453 269242372.3 331899141.8 349916091.8 297378438 321024790.2 316466046 282382537.4 416893252.9 381960056 376748765.1 242342749 416770613.9 291649392.6 345413392.7 457768536.2 430736428.6 366757734.4 334482170.9 330764586.4 328472362.2 330481001.1 332630768 337761734.4 326158670.6 Heavy N-Acetylaspartic acid 53453042.25 93406711.5 212235943.5 61938320.48 113133812.6 178279181.2 30643720.43 213663527.1 159280447 51479690.17 174509186.5 53635612.51 57527723.84 189219868.6 44170488.44 45999106.8 41285048.87 52506058.45 35771120.08 44753016.66 47124930.33 55790686.32 110337894 74889790 76236727.96 75769028.11 77891075.94 94507120.48 72390496.27 46451418.42 50611601.46 41410336.13 37044308.26 59116428.4 61164674.23 74276459.97 240092030.8 59197851.01 50678018.78 78863756.64 182617975.4 45382393.82 158565045.4 68494421.6 49696636.46 31260651.72 157607744.1 50504095.49 53568142.35 81572339.31 74893574.1 40066988.75 114981225.4 89194669.88 182468374 53226005.79 171501771.9 40284262.38 115259936 104497828 100943274.6 92696042.54 88340614.45 31133583.32 196440511.9 55873115.6 54669641.89 148475559.7 228674508.9 165991466.6 48160389.03 53835878.05 63040413.15 51161217.02 39508011.17 41962112.88 39888265 38026484.52 42168796.51 39478861.72 40119132.75 Heavy Oxoglutaric acid 45852063.3 75542960.4 75589640.66 77572902.11 61559521.85 81761460.43 54853401.64 97582056.09 106745286.9 59390450.31 102920523.9 70592640.18 72373130.66 83340897.16 56166590.93 78331472.31 55082702.74 76510411.89 61125588.06 61371255.88 75715069.39 88453877.72 67615458.42 62265995.09 53202904.41 57423500.57 56387098.16 61199069.49 62646820 83017573.89 56313106.83 55613932.1 49804060.92 72499434.47 62579248.36 72327004.98 76310315.37 61834069.14 75692065.02 85806846.05 102201672.3 61485780.35 103506214.6 73152951.34 69908343.69 67007999.83 111656885.2 82652692.87 45405496.27 65359068.22 57560296.32 61235560.13 71690910.43 68086042.75 85239249.44 69307483.37 115407302.6 55435376.81 74772884.67 67882630.44 62869934.06 64864851.85 65935367.87 58698872.69 110272573.9 68688043.99 75210323.79 64531169.34 129407780.6 85316255.89 52080714.98 48091413.21 59397989.55 74697217.31 60341529.75 61611584.32 59324581.03 56022032.85 67247168.56 59504339.1 58738483.77 Heavy Phenylalanine 258748866.7 398888945 305558849.4 342115106.1 233821587.9 300624189.6 283471524.6 350002726.3 318549410.9 328112187.2 333366407.3 355470954.6 389881728.2 295946162.8 346581567.5 405262047.4 286572273.4 312852248.5 329947744.9 319353819.1 397638310.1 464874422.1 297622328.3 330002838.1 215805217.6 233079014.3 251492871.5 260216585.7 292102770.1 429077891.7 359627130.4 232531607.6 327119487.6 367385227.7 243336199.7 368943059.2 325791897.8 324928156.4 444584364.2 420890869.7 334479452.9 332619799.5 378454773.4 405051923.4 377856942.1 348265544.1 403484819.8 465246766.6 372102811.2 313969277.4 286913332.7 380252765.7 336906626.3 334625213.7 261820542 460490935.7 303386014.5 191850281.8 320225192.6 326859850.7 289301142.6 290235808.6 321616450.2 311439509.1 340835630.9 364448671.8 350136077.2 174985864.9 391713370.6 196430765.7 287904084.5 405411696.4 189424810.1 366446059.9 285814236.9 284853079.8 291144536.7 310127237.9 288999932 280363950.3 287502431.4 Heavy Proline 528374761.8 748302639.8 453483581.1 616222165 453726910.2 482596829 563053668.7 653551150.3 618595583.4 499589725 566211496 711670934.6 687792665 422711178.4 549723577.3 667642386.2 491375820.9 581011710 655757389.6 502131073.8 681019478.5 719058648 488852125.3 478706009.4 499484732.1 637476854.3 458358581.8 577238196.3 576507760 845200002.7 710090114.7 407109393.5 353566851.9 683581064.4 503519550.7 523172705.8 556130443.1 671715708.3 731500732.8 773191597.9 576489010.2 641533081.6 659221232.2 567773485.3 564529710.4 520627253.7 597904281 850310037.8 814177893.9 573837134.6 469527201 660514132.6 650988879.9 684540720.1 451432985.2 772791120.9 554647752.7 435239906.1 603630742 603319133.8 443572911.9 635201796.7 512690591.9 435658324.6 722561590.3 578148468.5 519173145.4 364200493.8 625588451.2 405151800.2 463592414.3 709830580.2 712308368.9 609028956.9 545616983.4 519066489.9 536585864.3 509175353.4 532160760.8 545802716.2 525875200.7 Heavy Serine 6154530.669 9747554.207 17058697.08 5429754.512 13708556.85 18316002.6 3424250.952 21443885.93 23759651.76 5258330.697 23667272.08 5536496.411 7442252.238 22253188.08 5617934.582 6689625.162 5783427.83 7808147.766 5555926.572 5347442.755 7070976.727 8603772.118 21017698.61 24847639.28 19137154.42 28023487.39 15625846.36 21121803.97 23202370.36 6000831.1 8263092.301 7455179.868 5081649.716 8095968.086 6706499.108 6933477.303 20801372.61 4668252.738 8111893.559 9522158.343 25805726.39 7876353.687 27317995.62 8621815.455 7932364.547 4355315.596 33933645.69 9571032.342 7583090.42 34435820.18 22068292.87 7537019.002 30121871.32 29280450.4 26586867.85 7136835.514 28951826.99 6303930.306 26078743.47 27718944.37 23860607.62 28775607.7 27110028.69 5707464.406 30407640.44 9150963.684 8298113.386 16480634.21 37379246.52 19813787.02 6037493.452 8783854.976 11417411.11 10469491.95 6320304.961 7231952.421 5956172.909 5945449.832 7233914.112 6740519.755 6167902.185 Heavy Taurine 144278212.1 223835919.3 143222490.1 209300982.9 99874084.08 151124064.7 164138858.6 173665700.9 153485124.8 117959856.5 151206809.1 138059909.3 212799915.8 164427782.3 204788704.3 169919897.9 141322201.7 224444000.6 232530513.8 155726436.5 172188989.1 234553913.3 152931838.3 161008746.1 128397277.9 142954368.7 139368269.1 143309073.8 156491629.7 205949339.3 144285288 91268041.36 123182590 142444186.4 162312540.2 209466580.7 152870475.3 214930249.7 190033169.5 212196982.4 141006620.2 209870352.7 167735617.3 241193910.9 198867512.3 179893501.5 210747994.8 208657866.3 138221061.5 167334794.5 140543450.3 173863895.8 178410197.3 161210288.1 138906567.4 215416249.5 179995311 152634903.5 169911315.4 166733606.7 148548205.6 159030154.7 155901665.9 173674435.5 196737186.2 181110842.3 167223063.7 59123659.08 195630810.6 86472925.29 152237525.1 141035688.1 210041270.9 181664125.4 183205832 172834383 166843709.7 166133593.8 164263479.2 183971586.3 175458266.6 Heavy Threonine 141477395.7 175271589.7 116032811.3 140174649.4 76260590.09 146674145.9 149332229 125484251.2 144277811.2 103844827 152342333 153852401.8 154770845.2 143197677.7 175268378.5 170303776.7 103468659.9 150904803.7 156318276.7 107137185.1 154080731.7 137523271.9 182049386.4 182828079.3 149750181.3 211272300.1 140770183.3 160650390.4 215349694.4 199213632 149828759.2 75346891.73 92046992.35 171577169.2 162265986.4 120710459.3 116658199.5 179174119.8 179097451.1 184656720.5 142733439.4 150872850.4 135260384.5 191356507.5 160825439.9 127403039.3 186982005.8 173537116.4 151582976.5 222260135.7 155393266.5 156087988.9 226860059.3 190170836.7 109898677.1 193468149.6 163756827.1 117321911.4 199410943.8 213566863.9 185483522.1 193470581.2 210440779.3 137419373 170553682.5 133892572.1 135956621.1 64759357.42 166684986.2 81499865.58 129784636.4 180624888.7 200247698.2 201748645.8 180571115.5 154916333.5 159752951.9 160191068.4 159020286 172624911.3 168974151.5 Heavy Tyrosine 154218550.7 220146310.6 155592544.4 162986123.4 100677370.2 168580475.5 169320886.5 198777250 181776104.6 139382627.1 209644176.2 204446650.4 188958573.5 184610370.2 188306391.9 219737570.7 179516987.9 225399091.6 143909413.2 164106439 185287138.2 228082273.2 161667851.1 155979479.7 168089035.2 167745867.4 144450188 146746067 184929753.5 309326134.3 197008271.9 121564068.8 175746256.6 231720995 128831754.8 165744093.6 159465284.1 198652200.7 251908599.2 244231363.6 205424650.2 220520992.3 253452941.2 216975917.8 194845685.5 206285913 229919725.6 210956000.3 238930208.4 191782300.5 166899295.9 215717617.7 207871358.2 186700744.4 179182306.7 287523579 202699405.5 167656819.9 205287522.9 177645178.6 138660026.1 162716275.9 158958179.9 128145226.9 226571294.3 188845395.1 207171206.6 136696771.9 223545097 139767457.4 180053807.4 181867740.5 173318849.7 224099570.9 166783189.2 193709842.6 195358645.9 140717161.7 157022499.1 187585397.7 181545945.9 Heavy Tyrosine_2 285945773.8 460141461.5 385287537.9 367103156 167260028.1 272589485.5 269297473.3 401041190.3 317336577.8 327873721.9 335824788.4 430691763.2 348644136.2 315916676.1 333701148.4 354208016 238369242.9 288447399.5 245153337.6 256695549.5 306207765.6 381982789.7 296203362.9 243018295.3 237157456 263458922.9 217859911.9 262462547.2 262559658.3 396813644.6 302545815.4 199523937.8 235141402 345445097.9 312917216.5 407606818.1 349162899.4 411301029.8 373603802 485136834.1 361345730.8 293710218.3 333628211.5 389375453.7 308050627.7 266244377.9 313671344.8 360336869.3 319171411 268557049.2 253710029 284842965.5 296787113.5 242459886.6 254025961.9 432063733.9 306749395.5 227440759.7 271266133.4 334131730.5 213634062.3 263178428.3 255899820 202108804.7 279895788.6 274214912.6 274096427.6 183671930.3 305345056.1 217097866.2 275348319.6 292354144.8 282257381.7 273289853.7 251064960.6 248016913.8 257122417.5 235883940 259856236.1 249757971.6 247283460.5 Heavy Valine 73696566.44 107435767.3 63572937.1 78200908.38 51454487.17 78363063.15 77013812.09 78864520.75 82560429.06 78702109.31 100116285 104193212.6 101648176.6 62226773.15 78684673.8 104255632.2 71925937.21 80457881.76 92979896.64 74622676.72 108192145 117187886 70183831.64 80805817.48 68057361.18 87867135.76 64500461.82 72552724.92 90798018.54 136076249.2 107148306.6 53028960.68 57843225.18 92563578.53 77912890.02 79423987.39 83099386.89 81845760.5 118780981.3 122754034.3 82893465.26 95995805.07 104949490.5 93590502.88 91468788.74 90766442.31 97480833.94 127435253 117440442.1 90239341.13 71718808.46 100564920.3 108616527 108919287.8 70363358.14 152436926.4 77981534.73 56197927.42 85734429.55 102621233 74962244.46 86665645.08 84917258.94 60605040.65 112823976.3 84972070.58 94430436.33 55956664.55 112984368.7 65110859.08 75258649.25 101750530.2 107007527.6 95137300.21 78028859.52 82771945.84 82310661.55 83094101.62 81820305.01 81869823.58 77938662.17 Heavy Xanthine 158921412.7 197959775.7 183783882.6 241512836.7 131823169.4 163458639.4 159347858 210348914.5 191020495.8 158783969.9 176639035.1 167132496.5 175366077.3 173803740.5 197381480.3 185063953.3 162359245.6 215088435 243585431.3 183632761 200925175.3 243696126.1 117924886.5 108055319.7 98722261.05 108453732.1 94965259.31 115136252.4 115095114.5 194427783 214766199.3 167504443.9 171764887 235598253.6 142391775.4 216172423.6 188463997.6 161725565.7 189721070.9 216636332.5 207959397.7 182814024.7 224668107.1 212304735.4 179905879.8 206366762.9 238059627.4 207959334.4 184475738.8 141936902.9 108503905.7 194296475.5 130495974.6 145498508.3 201717534.5 256291504 183261469.7 128448318.6 137456792 124441238.9 126954372.7 120962288.8 119746635.8 198803429.5 212189887.7 190286834 169684015.5 133350915.8 228697391.5 140126052.9 181059743.3 215120959 216417371.1 174979822.4 150549918.6 156024369.6 154248874.5 152067547.7 172076418.7 157063009.9 142258674.4 Hexadecanamide 962361919.8 908164853.8 692352133.9 673378774 483516525.1 610537378.1 942285110.7 876854301.6 1107206410 800174792.5 1405252843 950329326.9 909756624.2 822479588.5 692300914.4 738329035.5 572388209.5 848053366.7 1014281306 644412822.5 852427169.2 938259330.9 695478287.8 593924644.8 322466116.6 448718815.6 521366522.1 582116071.9 609587203.7 887238120.1 686909277 673657626.6 495736985.9 1064740645 1397633850 734608105.5 742388953.8 1019638616 1157425060 931617279.1 607834039 654468931.7 903517109.4 1160021988 897830813.2 876703882 942450984.6 955808777.9 695154902 358824891.7 473776540.4 551649028.4 540758161.6 515212487.5 372026225.6 623165440.3 481725293.6 303834296.7 255688680.1 413156665.3 604022615.5 777649752.2 565719830 459033781.6 838238978.5 460565902.3 747196942.3 271578273.2 491496311.4 388483678.8 612439952.5 731102462.7 630206399.3 647743682.3 516402812.8 551069223.1 520081779.8 608389047.1 499708162.8 556225842.9 521142619.7 Hexanoylcarnitine 8400912.476 4416004.148 7433976.241 5794047.979 6062631.536 7971104.728 2851510.826 9848759.638 7622848.172 6125779.298 11814352.37 5730566.375 3732528.442 6273681.52 10196696.59 7510066.379 7699465.1 6143873.546 3817050.183 10133745.84 8736071.957 4962451.957 3090962.579 3265970.072 2126786.062 4023756.336 7596473.456 3439699.262 6941571.132 3632426.059 4236194.814 4996358.334 4575261.979 7223736.191 8770559.531 6631643.572 6306944.485 4753357.361 6915094.441 10621717.41 11153098.45 18384025.64 4938318.603 4884677.438 5627191.52 5914415.857 4522232.03 11607798.47 12514932.36 3926240.369 2975297.473 17482489.78 3402100.522 12057598.98 4126907.541 6361052.15 2634733.791 3046655.344 4949798.086 1351832.809 3204292.805 6686617.447 5261810.566 988134.8333 3975062.847 6746006.488 3478934.704 4879134.77 6408012.531 3471560.549 3103588.59 6011878.106 7984386.332 5583760.402 6321220.352 6220562.614 5746184.956 5853015.925 6190368.484 6285362.937 6095601.66 Hippuric acid 86834236.61 69342320.34 184475458.4 46443157.72 109989277.3 23200428.93 74869541.52 15048630.16 12097472.64 228002200.4 24666007.14 4575055.36 34586154.93 66069359.31 69936110.43 16786709.25 69545384.59 14596777.85 85458939.27 28107604.06 38595024.13 247753555.9 36237797.58 9473045.188 22892190.76 12787278.88 33713477.98 121076828.2 10431964.29 100413415.7 63373833.52 107824836.4 393276802.6 120716938.7 38096125.51 114941909.1 102978496.6 100548846.8 13830234.78 34556729.9 158408918.1 75111607.55 124928065.2 151474523.8 103768498.7 7556777.395 10082100.67 10085730.11 174356676.7 13397329.46 166139974.1 26524251.72 43171459.68 52209874.08 142307574 64151761.63 998883898.2 108189257.5 24300317.44 84052797.2 30138822.19 23391203.08 66081915.04 48252383.63 231838756.1 75645468.95 142049888.3 125215219.3 74985054.89 345777592.6 32609163.46 72509271.96 15542325.09 42611107.04 94905441.69 92765496.7 101797274.2 78842718.67 91406866.94 89000531.31 100593046.7 Hydroxyisocaproic acid 7844058.712 11099226.76 14771025.37 9364262.745 12459458.76 8443125.543 10504316.98 17601078.34 10657376.09 13012104.41 7722668.488 11117615.36 9359227.285 18961211.44 20040445.97 16664740.99 13618258.12 16937567.59 18286250.93 11099115.79 5303378.616 21622562.5 8910541.616 13064562.01 5840666.267 8376259.921 8307961.896 13487258.36 8114559.821 13042337.93 8049076.052 13497128.77 10328734.69 9699083.366 11286084.64 7121047.284 13383531.62 9477300.111 7534437.738 12410796.75 8685340.492 66898218.77 8425242.566 9898910.271 7979856.984 12058628.97 12232165.48 11925311.73 10779001.15 12884015.32 8534835.819 35828001.85 8852595.19 16656152.26 10327175.5 8085950.351 5312547.354 5389322.727 11646969.1 14234891.72 8211053.997 15545158.61 8948185.963 18484123.02 8433347.863 12137926.01 6108807.954 14336935.57 14978774.13 11613437.41 5776253.351 10300866.48 11944213.58 13588164.16 11160752.71 14477937.46 11766712.2 13076546.42 13051861.69 11714991.69 12473430.26 Hypoxanthine 501690200.8 1161521965 1030114625 258880249.2 471186304 664497832.3 764741036.9 1572593844 1029539564 458489826.4 1546423939 1032160961 129633966.7 837012252.9 444343118.7 525838897 95445415.81 375911874 339122746.6 472961032.9 298897739.9 167440876.2 389794034.2 345165529.4 398383236.6 220747315.1 314746743.9 487805340.7 723307277.1 541455782.9 608061603.6 890759600.7 801175140.3 446603550.3 202731749.9 370461404.5 713179767.3 727548753 708275450.2 692151448.1 1175332998 197610902.8 314163158.3 452354438.8 202201165.3 487612395.7 571084418.7 533290085.9 1071726584 447739633.2 607924581.4 438321607.9 885469900.8 64718566.11 1320968572 391711847.7 509549892.6 143990642.9 831287612.3 948923156.9 235475215.1 670162199.7 484918210 260940512.3 725108410.2 876768107.2 177745159.6 1611423901 1238957458 756215771.8 96486666.2 466467977.6 41832233.99 271964098.2 504519744.4 496545665.4 517113538.6 536014679.8 490177770 464992781.7 530604211 Imidazolelactic acid 1489704.422 3722493.96 10282721.13 4035679.751 4959425.713 4062262.843 1123117.481 5599794.273 4309574.298 8679547.673 2059403.934 3025966.757 4278596.256 5503052.746 1986777.221 3101618.05 3348546.824 3888196.745 3078839.396 5190164.786 5676109.057 3533070.979 3484681.172 3270239.26 3028119.32 2669848.28 6775512.191 2101654.955 3846162.456 6388003.311 4685544.499 3486792.481 4654861.011 4142288.837 3420627.652 7065374.032 4206954.38 1394634.687 3259737.518 5612991.006 6915846.069 3329440.153 3088808.222 4033231.381 4078963.972 5057301.081 2934686.815 6121530.75 4416304.52 2000092.897 7111276.077 3909788.544 6194567.677 8205642.063 7010141.332 8515161.875 9213712.761 5071401.355 4140299.891 3022026.616 2786206.934 4082809.071 3585373.209 5459806.011 3195786.002 3483132.147 3785330.408 8144874.952 9954475.2 3392595.99 6862813.293 3734424.591 6190042.732 6072111.456 3815751.393 3973249.614 4243341.914 3777431.527 3495144.95 3733779.35 4202640.645 Indole-3-acetic acid 4463430.551 3571499.488 4329146.593 9390633.376 7290403.372 5986625.751 2605312.028 2190273.618 5431108.981 6837350.461 3109249.021 9277624.629 5622153.358 9175658.723 12369108.16 4996560.794 4663777.576 6623699.37 16664551.45 4707215.873 5572183.792 7402335.435 6966703.455 9988486.378 6573911.072 5238096.028 6017644.552 5526711.527 1544684.658 26994841.28 9917171.983 9962204.657 9875711.112 24695884.45 12700827.14 7090329.734 22983489.64 4542902.514 2967186.073 2812693.835 6487121.121 20573293.43 26031507.61 19756554.41 9132624.118 4850954.01 5698382.48 14092139.94 9260605.214 2958921.154 8634867.924 7657929.589 8739058.198 2471215.1 9949903.294 5488130.047 4853006.311 7261826.298 16256239.84 2350512.589 3686571.047 20861466.51 2096293.838 17938047 5416031.414 11628196.66 7918740.601 8876777.36 14447817.13 8563410.655 4942790.92 7098522.404 16365248.19 10089190.78 7383157.031 7286586.227 8056435.635 8516689.934 6736858.143 7427698.729 7665749.289 Indole-3-lactic acid 16763367.31 27024947.55 31045363.45 38797979.2 26144271.19 22574620.42 16248726.86 35723219.89 28279629.04 50019934.85 16802676.9 28398082.06 44690995.7 51525377.09 34126475.32 31691550.82 53091146.47 35099495.36 25073716.32 17798966.18 14677958.69 33241280.06 26727102.67 16539912.95 32426055.05 20285537.37 21122944.57 29577918.34 11790740.03 37079872.61 32376090.72 26058614.51 27745754.67 44824010.48 25405819.6 25012293.83 35820818.33 23883958.69 28107150.77 28866782.37 26318580.32 18354983.3 21441116.56 27960136.42 24471159.1 32831912.1 21379841.51 48208623.81 22903388.3 27870357.14 28342692.46 67868203.91 19268628.63 18039143.92 42401770.29 35312025.36 51241597.86 29870764.26 29628563.58 27437659.01 25299314.45 37672152.43 20755034.88 73560954.96 36849866.92 32852117.15 24144655.64 28918929.2 57616702.9 44523018.34 28544819.09 37105086 33089366.95 51308065.15 29733216.05 26501457.17 27472802.72 27229551.48 28128874.19 28418355.75 28086016.01 Indole-3-pyruvic acid 8583880.272 8174782.546 17855930.81 16599360.64 6507793.69 12395170.92 4246457.998 13662501.35 14026379.42 16311664.3 11590245.74 9563616.477 8937143.169 12086350.34 9533333.392 9618052.515 14523645.91 11162916.21 2499979.718 7181426.185 9646203.204 5044031.784 10327016.67 12537891.93 16898682.4 15182175.16 11205793.46 17315633.46 9657632.957 17493306.68 15920747.62 12556956.45 12210038.72 17805735.32 8217624.225 7341065.396 17497272.53 9319436.56 9033266.656 9284595.593 17374671.3 6699359.401 11057855.85 9549917.107 20870514.61 4762888.985 14320817.1 9391394.804 14187646.16 11946860.58 20994334.63 17152307.61 15386272.15 14706682.62 20886491.23 15392731.45 30809366.18 11997285.05 15664083.31 16423166.37 8321621.197 13906573.56 7477854.071 10497256.14 15127234.52 12658385.14 6690933.675 15759496.24 22078134.39 21951768.21 15868843.11 17921077.64 10309546.34 22589177.46 12254185.99 10116554.58 13192749.68 11804831.74 11650652 11244592.68 11923050.39 Inosine 1374529.801 1987708.928 16044411.87 1827308.931 5114977.263 11550093.21 2299666.074 50382723.93 30202905.65 1428783.631 30497283.5 5919817.861 1657120.881 20403929.31 2678945.523 2096665.628 1178979.298 1690535.252 1939062.7 1312570.995 1263566.577 1459108.739 11449902.2 11103006.58 8871111.318 7069546.24 7331167.399 5532802.699 8999009.61 1346568.478 1537855.591 6031487.832 3914364.427 1617454.47 1395629.473 1412368.827 10888735.76 3068843.408 1385337.831 1703865.459 20514867.2 1606245.744 13062786.52 1444700.986 1469602.834 1541671.532 4465239.237 1736946.188 5500695.832 7252540.473 6358162.103 1649085.049 4771047.607 1113304.828 7731225.907 1295469.43 8649710.207 1284522.946 25886237.92 15160526.52 2750468.274 17684868.81 10899787.76 1438325.551 14235485.23 1788771.092 1307668.727 20105842.32 10364447.87 77868936.53 1397650.588 1689902.203 1624436.331 1448388.229 7583397.215 7926734.591 8616031.831 8159529.995 7978850.216 7981227.419 7693281.85 Isoquinoline 8252178.929 12111683.86 9066736.219 8831292.464 6450117.975 7827465.374 7232305.125 8150119.158 8240146.581 8450688.646 8496031.217 9670355.75 9333273.738 7434694.943 8455896.232 10529680.88 9125172.066 9315894.047 6665531.102 7529426.657 8798627.41 9192789.027 5889906.446 5854192.505 6113579.638 5151290.955 4782537.397 5899300.694 5927659.993 11020375.87 11944899.24 6653681.336 7445514.592 10389165.97 5873550.867 8255144.075 6716915.238 7786673.36 9795894.689 10300301.7 8784810.884 6159280.541 9996618.389 11294474.07 9607831.787 7638538.282 8012702.617 9749379.447 8230486.898 5604735.576 6228422.688 10546686.58 6484213.914 7222977.453 8950096.486 11969402.85 8963292.844 5270666.174 5978862.826 6316321.425 5326644.388 6045178.031 4605626.631 12514977.59 11550801.93 10002407.68 8328157.81 7244770.681 11780617.9 9427835.71 8728579.589 9608720.631 9930180 10773279.71 8535195.876 7321998.875 7266815.651 6731167.534 7639683.813 8084116.512 8201714.167 Jasmone 3334123.558 3827320.165 3466763.054 5202436.989 3132474.551 3344665.97 6301950.014 3212120.035 4285177.263 9055843.414 2902989.135 6348972.495 7611065.4 7673206.127 12041252.88 19049899.23 6022431.403 7987376.367 11527706.03 5244123.684 5776389.715 8294625.155 3405276.875 2365687.708 5382882.725 4103959.003 2579060.667 5662587.031 11752184.9 4332390.856 4891535.367 5101978.388 3137887.008 4068744.418 6542916.077 2740531.713 4116149.565 6707779.641 8526252.706 4491200.538 1971427.852 2404012.951 5435192.41 8898882.76 6744014.909 13974797.97 7591921.589 4666723.431 5074814.819 4182650.189 1996399.615 7730284.7 4385278.029 9213543.723 2348903.689 14833814.12 5663508.402 8845706.871 6300133.605 10624324.43 3411002.519 4671482.9 3367851.874 2027251.314 2768138.152 12633954.36 3399409.692 3199167.558 3682832.927 6281782.307 3282693.91 2544048.177 7588799.013 2447022.632 10239466.74 13331875.46 11955563.21 12955866.84 13429137.52 9648101.159 11446708.99 L-Acetylcarnitine 1287793152 2002474507 1615685300 1660895501 2127696189 2352174483 1328324058 1702657609 2591054673 2136399550 2857172057 2510211351 1474848183 1969209782 2766326875 2104558417 1932527284 1568341052 1345055406 4002488985 1727280450 972958108.9 1036386766 770566099.2 730560497.9 722553282.9 1211005886 1121595188 1504249978 1428282259 1244716408 942718941.3 1041155037 1311130635 2956074111 1569867590 2267050210 1636405595 1521838495 3176081444 1688060170 3766749034 1528942930 1536386047 1608174602 2068027808 1161894777 1802802949 652708557.7 1044120159 942235403.4 2208010067 662739923.6 1838125990 817658522 1488031776 1166446178 930159462.1 817268363.7 572418538.4 1092340368 1624272166 1257872788 930544278.4 862130371.6 1527032833 1304289024 1027194602 1653916904 911549414.9 661453673.4 2058061740 1473351454 1653625991 1512016018 1549257962 363148198.6 1503222353 1443511611 1331596134 1282205127 L-Alanine 812648661.5 1138660687 1435836349 1340943483 722221646.5 1353669120 1038199841 1426210347 816008055.7 1297134406 916407780.8 1005075441 1039739481 1179778413 1071725107 928978476.5 1138216858 1597690147 1253403752 989125746.3 1244300051 1315416140 1047533597 1152905000 947988746.7 898688731.7 791909841.8 1029639402 1059095685 1291843804 852826152.5 941579523.8 1016344527 1033543518 882071632.6 1378468080 1287988258 1094079771 1207047611 1443141619 1017282755 776295835.2 1034974799 1514530655 1156442659 1121894988 1560431244 1352357996 1210223352 1214375577 1054285126 1553384020 866975969.7 805451384.4 897591862.2 1604483088 1221954970 951148767.4 904704158.4 1078410913 1298809005 910144819.7 1030389511 865472864.3 821426403.3 1078296350 1333358067 949850982.4 1163982688 1202133293 1233570874 1460745778 1206068567 1307320937 1178034163 1030917670 1038215985 1054062896 1094373801 1093296855 1114488530 L-Arginine 1825264378 1755878198 389541893.4 3201447984 1004097014 1323492964 1286787405 1693378862 1813417486 1782445809 1733050614 2501121012 3837963693 1736517309 1904863426 2898686656 1532058451 2726920975 2479390179 3082652766 2564309072 2169860958 1694294934 2217832961 2004109800 1819899665 2143953853 2022199015 1613705208 2767138044 1266105445 1466622264 824304929.5 1713576881 2306864856 3382116510 668524869.5 1954777771 2917563954 2762357593 1164551369 2088891294 2848822412 1793773033 2842184576 1619962410 1974250115 2233545289 1169795034 972988577.2 2084395239 923140572.6 2002518702 2437876242 2903708794 1561944794 2984521134 2339020636 2571351130 1847178424 1589849560 1356464181 1684882005 2741996687 1941758500 1405310670 3295466986 841598562.5 1639581258 687319554.9 3069419355 2060008059 2571004682 2185314514 1923621701 1742734479 2125976203 2076314797 1996484409 1849954341 1902355864 L-Ascorbic acid 2-sulfate 16918170.02 13392521.07 10725431.98 14047259.85 14761410.87 20834069.18 22659843.13 12104564.14 14203692.77 31320867.95 24314331.06 25349786.39 19528860.09 15819000.27 16432154.32 21237764.55 28294737.29 12299152.62 21323189.14 15953098.98 20344305.75 22256135.17 13009956.16 7915145.233 12792214.39 7925474.806 6667163.008 10570769.56 6388597.872 24666266.8 26353547.44 5931159.668 14455798.95 22498231.78 50148468.19 16232231 10481981.01 14513110.64 28553923.15 28867701.29 12829727.81 25823818.47 18280870.06 28602227.52 22815539.6 14932578.26 9189178.222 11470726.11 24342467.07 15903408.93 10426781.69 15859706.64 9398235.057 7465717.187 11828945.82 21984756.73 25059262.05 17192223.45 20619169.02 10979138.57 7718391.25 3004079.322 11297178.14 39929509.8 14602191.15 13444703.39 4567535.479 20592405.26 18231166.8 23750149.44 26691163.72 19903831.38 29637484.03 18741578.53 15202765.55 12634250.66 16119808.06 15220030.98 14812386.13 14564304.62 14334928.4 L-Asparagine 29944795.08 40303735.73 85070027.7 52189129.37 94206509.73 68178409.29 39005373.14 96754854.1 85209876.92 46733354.91 71130681.51 37838801.8 44347541.05 59333795.94 31801290.28 40791701 42519995.73 44363848.08 68950357.6 43659859.8 42039000.43 46514353.92 54885276.57 65889337.47 77403556.29 53270667.19 71684109.83 59661527.39 39245384.34 52203803.93 45673312.52 37459238.9 57070027.95 39536688.32 29243378.43 38635613.63 64424260.55 39214675.15 32636653.5 39739364.1 102691306 42209564.95 80399476.09 37481471.91 51368283.7 43662605.23 61963256.13 39018954.92 34383164.95 41228485.58 107665998.2 31462345.43 83347638.84 93208321.96 89950338.26 45741591.94 123631624.7 33468677.07 74171081.92 51732380.26 64652730.44 61272127.65 60758036.4 33991957.86 100564282.7 45108766.52 49724509.33 64813266.23 84783776.65 110280385.2 51912177.68 34693767.03 33389863.19 33295051.88 37390468.34 37450249.85 38941631.07 37575585.76 37315928.83 34564084.27 39565985.17 L-Aspartic acid 5235275.154 2368333.036 7058102.001 1000770.801 5861296.579 8334007.216 2792563.53 12872842.67 11141151.37 2352323.868 8234578.01 3702018.04 2212406.093 10123667.3 2825672.213 2978064.048 3290290.493 2576049.798 1930709.203 2472816.912 1928233.703 2839242.017 5484799.928 7017388.598 7548158.486 4089000.48 5474083.946 8141057.361 8907891.055 3035603.69 4114897.874 8103524.303 4283149.907 2832762.11 4024724.602 1806941.569 7225738.377 2458877.885 1761382.242 3384921.525 13933471.44 2179410.263 5165789.488 2318801.649 3077690.264 2144290.433 9189660.257 3913545.43 3793218.933 6079511.221 7834380.093 1690113.727 10501460.91 4805171.505 18769008.18 1722929.149 12865839.89 2753424.982 12313779.7 7965474.172 5997989.445 11163284.48 7040509.115 2815538.497 8597315.885 3464856.193 5402018.19 23546500.96 12020562.65 9841888.872 2953705.007 2049681.59 3129696.829 2379915.071 2433575.088 1677968.967 1494098.304 1915669.832 2019209.28 2525321.033 1799297.436 L-Carnitine 5542301908 8422418167 6037055598 9893889074 6256144143 7860100222 5517335641 6686932544 7008743351 9780857012 7293934141 7224065403 8806568463 8681777933 13068313788 7791122584 8554142343 6746026548 4867266388 11038184661 7225398729 6489334897 5705490530 5068549648 5570773408 4958167730 5085758565 5521163173 6602023336 10395147242 7656950412 5561378685 6192608805 6296568249 9184303361 8113637161 8677739668 8508432047 8525133116 8779325055 7834381312 6930513256 6944989807 4632625729 7808549389 9411088991 6977190212 5649162749 8267585670 2431991407 6181258832 7027696828 3884741535 4869295174 8670074549 9027713132 5383264499 7061512606 5942552362 5273861047 7172074372 5496177818 3556161821 5726016818 4411467188 8841357727 9854360697 5902519040 7445699715 5785855964 6047987380 9748324666 7607999402 8518589287 6764200796 6918033405 6831198679 6857036573 7023922511 6663859874 6822337426 L-Cysteine-S-sulfate 16096665.83 29008486.09 159232593.9 21925575.93 269802054.7 134826109.8 60578368.75 115140112.7 88505782.1 58937082.62 114285299.4 39533136.05 23370061.06 162932540.6 49572172.34 62681593.41 53209690.38 56729500.89 47294103.7 40204084.02 44470407.72 57825318.47 6377440.193 2066366.617 3205050.775 2702869.733 3122526.078 5152992.227 2174969.488 80347445.59 21171038.17 21792406.81 33022302.72 3566252.432 17707424.64 10253634.31 191054858.7 69677547.26 60101852.64 57566036.52 307510140.7 41195903.32 140051914.2 32208571.15 23980167.31 29613043.01 65039927.42 69283498.09 56036074.64 9681015.611 2986693.006 24435561.48 3404410.715 1807442.525 26131929.85 32316174.13 96835818.49 51957843.42 3229167.22 2232542.977 1942136.876 16829850.99 14090796.3 34109786.8 234607254.6 31790802.86 23790196.75 106564013.5 53599029.75 75544282.34 10986910.7 20180220.22 3968974.033 12847730.67 55398944.99 34758345.44 34765308.07 44463212.47 49371140.21 45802674.12 42164333.63 L-Cystine 12639529.74 27534512.19 95830194.49 64109396.25 176347470.4 199790716.3 17102972.99 155523530 137474644 32054140.74 130094505.4 20535775.39 53765169.9 90399288.6 45926709.97 42924266.19 33634884.46 43047872.2 28024822 49875599.77 32947792.67 27308026.58 75581646.62 96265197.66 65814490.5 84346527.34 79586263.6 68067838.9 131158363.9 11826222.72 12669412.21 10110372.28 11793714.72 20852834.8 52511688.81 6714544.752 137557498.5 22207135.16 23918195.58 20887068.25 154563972 13573268.5 226930537.9 33352367.03 38038389.11 6390283.473 47828988.37 64815183.46 8651099.312 23824147.9 57203708.71 842292.7675 77011672.3 68147872.33 30913198.86 15727364.71 177310843.6 25845013.39 81281313.13 60726081.73 78327508.52 43295419.97 41910649.35 11328147.17 164031660.5 31006855.31 49444026.64 106960965 18090798.99 84126306.52 23347340.68 15566684.81 22905130.81 29651215.08 26418786.19 32550759.44 31290748.9 23636119.57 38129348.97 33973662.27 24128739.15 L-Ergothioneine 15606622.3 43076792.5 6841786.383 54115604.83 21521371 39544680.23 10032458.66 46116060.42 54461671.7 59870504.53 38437990.07 28958589.83 22800870.7 28530983.61 73057916.38 48353418.15 29222730.07 95625502.9 17651367.08 22802973.35 12741349.34 8234103.926 15436707.68 21886665.52 20348147.24 54083442.58 16719415.08 30473770.72 70231985.07 45063331.65 18625168.95 23953013.89 28173271.96 22271054.68 11893281.74 42677088.13 29103281.3 29975854.69 60047237.14 25130952.62 23961979.56 12479193.22 25742882.77 12788164.22 46806024.44 18932940.18 29154202.59 19984167.95 67338448.19 33485280.98 9086849.166 58501157.06 19671206.08 13411904.94 34555774.52 17037544.4 25666593.78 29744173.14 31358527.8 14423653.89 24757883.5 22494836.59 18920844.78 21569012.14 14411599.47 75683808.2 11207496.94 31402354.66 33913989.7 30174508.41 12349745.45 17393375.52 10146421.2 29723745.97 35148045.98 25481934.85 26889987.91 28209963.13 28923554.76 31143303.14 31033294.52 L-Glutamic acid 2961533649 3306397979 3861719344 3277189402 3408200465 4480195205 2939666349 4862728730 4345527882 3260614520 4096645603 3359706239 3832656269 4289845662 2649491678 3041511640 2742285674 3524731792 2913062189 2845148110 3660413189 4313921017 3244662540 3243259062 3456326405 2957486496 3578813867 3108799604 3609508462 2814750644 2912748929 2485040080 2831656829 3135013296 3313403816 3272674593 4461587826 3791083704 3845958857 4153687008 4493754392 2854079716 5313622765 3618573071 3361115401 3359970733 4923113644 3317900409 2937188543 3190155912 3380781903 2859783808 3903176495 3512883273 4196067360 3721609407 4671700066 3347899104 3984205449 3781155948 3736434470 3590328623 3881533917 2496249409 5361745419 4113051500 3489322698 3366503994 4967421602 4173633095 2609303695 2802666823 3235678158 3190913562 2866639350 2992113137 2967955745 2833374189 2841348389 2786875186 3023200012 L-Glutamine 7903796469 9446119844 10611318764 10181190675 9338843777 12401816105 8621284695 13470096194 11757526881 9357177209 11984448583 9798678209 11022188119 11048866253 7201416846 8788015843 7861556515 10040730366 8331303530 8581792035 11104674234 13361931613 9973703039 9104716176 10196061182 8632407920 10066071168 9015621069 10209177909 7702706369 8228683328 6363341757 7969656613 8763048029 9097621658 9453366790 12786430464 10869040286 11409514557 12024971997 11661666947 8571835981 15457052738 10189356531 9720406825 9376232656 13957613691 9449073625 8207666843 8921851084 9412954288 7785455042 11575598809 10826076853 12017739495 11041105994 13547575304 9555805133 10723043429 10425168276 10678290293 9787457890 11005687261 7427004749 15878488567 12060394029 10004156977 8300543195 15040907007 12040953036 7770049608 7910739499 9714003290 9537432337 8236546133 8722457848 8657555115 8205009364 8079234250 8031285635 8821411838 L-Histidine 3845764885 4963017232 5559343437 4866467489 5546100715 5631308659 4551504335 6279144230 5788906518 5985482905 5108506595 5961253691 6826935496 4571124189 4649302599 5164248920 4844325413 4731214069 3872850929 4070369983 4832924678 5663691757 3637594901 3890645097 3120295361 2169806844 3280714863 3699949641 3037112386 5063756666 4109891462 3332267404 4121799970 4134108134 4198147798 5498015510 4840216766 4845861193 5677404874 6709801643 5702018508 3117384055 5590062854 5088702048 4854680161 4534249973 4737287372 5536194392 3534574503 2742208766 3240647949 4201768992 3498287908 3868180090 3811544635 5724840661 4580968267 3355713770 3415921355 3263441984 3232169408 2952596362 3377403207 3571498942 4816461578 4708988731 4485739893 3128732645 5194714225 3970425706 3740852398 3862587585 4092893900 4308712654 3059066118 4639448455 4748758192 4248066217 4206281021 4018153755 3826388592 Linoleic Acid 174225830.6 173360294.4 165857959.3 168420487.1 135955359.3 136374537.3 148360402.5 144315964 203710346.3 152314988.5 147186271.4 259871963.9 245531012.1 193869619.7 201108824.9 211141943.5 193459626 186425946.7 277511959.9 156225868.2 254567907 196060530.9 192601869.2 206753741.9 144460492.4 129255369.3 198707568.2 173531664.5 186287253 214238767.6 201819354.7 164559195.7 203037908.9 355165949 232991458.8 205652770.4 173353868.6 236728318.7 264968300.5 220333180.9 148360680.2 170373067.4 220847916.5 257871223.5 264344240.8 267236944.5 188872403.5 264352951.3 163790716.2 113482650.6 186731627.7 212441198 161926469.7 170162809.2 144227873.3 259355660 178994374.8 135172087.6 120104106.8 57497547.73 144683878.6 197862398.8 206198325.3 196137594.7 257356852.5 201886142.8 210842988.5 125081062.3 231326463 200291302.1 221709765.5 282434503.3 204394411.2 239583100.9 182010558.4 160731854.8 187633974.2 180985459.6 183884603.1 211417693.7 142659829.3 L-Isoleucine 2116698405 1182536391 992962653.2 2813339123 1340125389 1351435976 1558289564 1835784025 1463649896 1147392568 1228723498 1888048196 1518648071 1980268093 1818610132 1362429354 1246104526 3015876228 1169633171 997153486.6 1109221388 1551934539 1001567988 868102999.8 951074610.2 483451994.9 1091118353 1207334836 1010118327 1203611741 2132339876 3276972115 2171166916 1964646663 1687157719 1436921076 1227893007 1458816971 1207461427 1275345827 1551887442 839048038.2 1489581887 1881599780 2590582565 1565378861 1721885409 1306603376 1316667669 792810082 1019675490 1647525453 1087689561 1108917552 1182906674 1371978381 2038036851 1321687026 1444354324 967149156.8 980285226.9 1453756725 1189216612 2040021020 1203780913 1512953229 2005176454 1018056959 2084852565 1079986861 1106287170 1354877498 1691131419 1727411783 1380648358 1273083182 809802062.9 1608012683 1268338964 1436753579 1111725728 L-Kynurenine 96073612.92 137961495.3 97050373.14 154240525.7 76376063.56 118156189.2 107965297 78170433 97462430.66 121321395.5 78480280.83 116376412 223988449 122240109.3 92741569.43 133051845.2 166155303 105646878.3 82665236.03 115906659.7 122609095.5 71539813.37 75264348.01 50968531.58 59324399.1 55722539.77 50559622.06 44507333.92 69317771.73 129434339.5 161667053.6 114625956 92556896.13 135676476.6 159565042.9 132955944.9 86262478.75 88458891.83 62868300.6 119224721.8 128300607.5 43970844.97 105220434.5 132373343.9 77783941.07 175885211.3 153597035.4 167743760.6 206039324.3 67633088.11 70132890.14 138186575.3 67974790.15 50544746.89 74628708.99 118216439.6 222862994.3 137129894.7 52954143.32 73894230.82 69505984.56 48757529.76 144275737.5 75610755.14 117011401 76352437.49 51300469.47 82504549.14 135723330.9 81711881.8 153568793.3 137528360.1 100215961.8 147908792.6 99394159.6 93489671.94 100616911.1 99599566.3 97626524.13 96493136.9 97716769.75 L-Lactic acid 8896821010 13584988080 19827713663 8903489316 13077178037 15621894005 16426965288 17956650006 10317407670 13100662906 17613835994 16104591761 8457984718 12871308302 12588653918 11744117557 17768412079 11635089801 10741539679 7948758981 11649700197 9043901488 3281186145 5014796097 4044023078 4508743602 3432969264 3366057774 3802300396 13536793785 14869261577 23779417735 23698720095 11924624122 6700370060 10176569445 23198801646 14420763402 12332263735 10900201449 13362404281 12747334570 8840661381 12941622450 8526513493 12639434660 10490642546 11147489058 30353668199 9153538887 3897932276 24909047822 3691532190 1582622519 8726959697 15364031487 7565563312 5587657079 2612272189 5620269925 5806615432 4162307565 4971331567 11880314519 9035444678 12112877316 8138156102 28436473884 10877560641 18641858758 8335882800 15595446712 7600288691 15544946725 11160946196 11003588266 10911124041 11186501364 10917999903 10933897728 11125527656 L-Leucine 4130847148 3704445056 4325262535 4748849709 3071315833 2899851200 4286999445 3239859449 2961779031 3604208225 2305784336 4110431350 3929223558 4263841138 4023016666 3425727057 4275385998 5496891076 2623244108 2899537715 3638529908 3071815998 2193930125 1886873892 2611744568 1658914745 2558551780 3345032498 2013099040 2960346369 3739857931 5789622620 3867834128 3794068089 3088390222 3584434749 3971183707 3664451638 3069389660 3067353672 3669785342 2862715966 2755036408 3883790340 4078151493 3778731966 4493568583 3018732653 3111732933 2686498120 2113668717 4022272686 2126600659 2056088284 2613256080 2362297231 3938080714 2372867331 2420820761 2189720826 2255027068 2695101941 2584414472 4606394720 3377806550 4325987588 3474560125 2350099589 3803483612 2718513347 2447961502 3321911479 3858925474 3084715910 3289637911 2874962528 3859133588 3024108100 3387534270 3255806306 3168449176 L-Lysine 1481556701 1879091660 1517526173 2056687923 1411783047 1263175108 1472467132 1588267004 1426560276 2088233095 1031436985 1723421495 1482299875 1224308441 1646411340 1291445581 1567534849 1899205906 1206273863 2288918977 1796613565 1603577998 921446482.4 1193736780 1243437272 727663674.8 1217263199 1339335749 1164193198 1670418606 1774845841 1845060271 1598349502 1580112507 1290348886 1514038784 1275707293 1187019665 1228413729 1738723545 1753894995 1113867064 1525696840 1686501866 1794562592 1425857238 1390399832 1522355270 1338455130 764366981.1 1071806479 1394565044 913935158.6 1149367257 1393422347 1249926005 1783575623 1352082158 963161000 894248450.4 968974680.9 1107856558 1006113005 2132890791 1573678551 1741166875 1659323279 1086023739 1232630030 1266228896 1841560873 1527347759 1315986090 1315927501 1400969097 1241190740 1566632119 1456668150 1486358496 1316202475 1371254348 L-Methionine 1222895401 1195058289 981675265.7 1468876400 930439725.1 881154802.5 1048785196 1032224366 987608751.7 1312940853 846592476.3 1040111693 1109316973 754481165.8 860883330.2 881066356.9 981259598.7 1149943942 8488559275 972066575 1081990872 1259189591 549707420 781052326.4 848266301.5 486404088.6 906992739.6 837286847.6 563722721.6 1102132469 1044129284 1183362181 1303936169 786822602 953870555.7 1092452989 840990713 1282533612 940673649.2 1126738329 926132209.1 1006900259 899336478.9 1034523437 1246986382 985806524.3 993585765.8 1045733052 682363029.7 404808911.9 762939890.8 754714376 652423871.9 781840521.2 642293694.9 962589715.7 1083664767 802418171.8 671550494.6 586182710.5 735369573.2 566044159.2 798212390.3 1382369359 1160604472 1343796557 1376541448 738255735.4 980308382.2 691352632.9 1150094005 994375233.5 1016077000 589664621 1031475373 1013907322 1014084911 1057990971 1024010004 1006533797 1025749034 L-Phenylalanine 2984912818 2438075222 2468098343 3066006219 1854160654 2127995742 2409103867 2206470376 2249401324 2699567229 1913320670 2445181424 2604816874 2063834529 2093733722 2288192677 2123472727 2078025712 3306838783 1816073664 2307958836 2025624751 1418114250 1602619716 1666370204 1457314826 1762681486 2284447650 1637730079 2580136816 2468239548 3129418151 2624736669 2294308666 1929343534 2631121372 2217141975 2532625319 2065611551 2679795904 2384217411 1731110408 1879452365 3117190771 2922442712 2076674493 2596874137 3022448245 2548298052 1469045885 1478039331 2100903350 1434929684 1663812355 1533885112 2572666668 2809119021 1482633825 1268503321 1758542011 1410269447 1557274492 1355651819 2842003177 2149891461 2386948572 2337031824 2751268435 2054855699 1705462110 2160374235 2416325384 1246244405 2714807069 1962498314 1981801117 2028754977 1998316711 2036403638 1932438197 1978371385 L-Proline 10762156690 9809557891 11095904553 11928719896 9791034653 9086643562 10385742390 10047160513 10409310332 10725183068 9700651343 8368330945 8968457795 15305281472 10532323585 9539086460 10563674269 14859163231 11461488070 9632479142 11189883447 13597638549 13036702776 12188519720 9391196529 5941127535 8184931236 7505872365 7346560531 10948121234 10340023389 12458781070 17859291310 11399523654 9190308553 16794515241 9509177081 12109414307 11442639472 11303289425 10822833213 9187514408 9705039608 16473181205 15724541865 13327743739 13773226420 10488737367 9238893741 9181758725 11467739049 10827433595 6599644527 5856616312 16049916574 11295108615 13089732531 12323402239 10079548726 8794919870 12051310714 7477790033 9482737455 15779065694 10041368456 11575071886 12134456157 10704192285 12773852496 10562053667 15285071340 11189468815 11583156291 12599080837 11026206242 10584141854 10865371960 10600867843 10707569380 11118650958 10651548428 L-Serine 97893711.07 128095316.1 227700773.9 103048159.5 247977136.3 199508764.5 40059299.35 325524536.1 335761962.9 75390610.88 306872892.7 71147973.33 108536038.9 221619994.5 60891568.98 98238948.34 112480179.4 77817405.81 124032891.8 138733926.4 85292706.64 162537493.8 205450591.3 245708851.9 250323669.5 171462958.8 217347310.3 229199335.2 234505524.6 71233717.28 129839342.6 110804144.5 112728511.5 83432671.5 115762136.4 98347613.4 253052515.9 66654447.08 84401341.48 88253362.27 325011243.5 141797387.9 269022129.5 67891646.73 86655764.81 115324083.3 251829074.1 120777145.9 93324711.06 165500184.3 274941939.5 60933649.48 257905543.5 245241955 285991446.3 67285673.54 289139100.2 79332618.55 263335252 206573541.2 198605781.4 276375270.5 150695288.1 34183965.43 376897823.9 243183032 185907733.9 319011298.9 436172847.2 315214044.1 81857838.96 90369197.66 102706830.4 80451651.97 92201403.61 91875694.16 87687250.41 78775774.32 85560807.99 103248937.3 85497021.19 L-Threonine 1590933230 1963444880 1662796727 2126996188 1718618822 1644092542 1933897489 2156096729 1628837187 1651427941 1835671513 1951384339 2440203254 1576555960 1842301490 2126878122 1768678960 3057470245 3133477163 2433139510 1958354703 2924057439 1731162129 2061853542 2263769956 1122620047 2406570331 2397717467 1742808822 2521624588 1885400377 1380608255 2152489338 1932357513 2092554900 2264978851 1199904909 2173265019 2103229081 2204746868 1729295717 1738657425 2088330280 2275556028 2047352465 2315777385 1850702319 2955108919 1302273505 1144385838 2544986554 1628562364 1990944343 2535540463 2162177946 2030296601 2294036455 1900679551 2382595627 2175333960 2383406063 2122613164 1663051424 1536201339 2297887969 2306694008 3124704138 1217329897 2301035983 1498867688 2082781060 1964638699 2068895524 1689173874 2294131518 2175444967 2116240374 2113351944 2109013380 2267756097 2228641328 L-Tryptophan 3367526054 4169812091 3844076330 4135944465 3099857749 2782547895 3049079858 3068365673 3306554695 4053523321 3083655080 3888154553 4039613567 2990583209 3203455234 3444423018 3796471361 3665194279 2717340278 2910516757 2912268994 3294607974 2068290656 1971890472 2225875437 1791189888 1681468869 2503922748 1991560428 4038258759 4277034064 3800310790 2726974596 3742810129 2753642852 3149028068 3422144023 3068696286 3417309865 3610967931 3752849771 2246741852 3561523941 3722901722 3757581454 3310657298 3506164027 3409207157 2971081286 1605979622 2007034034 3503338475 1996325927 2192045917 3113494716 3909111763 2967751509 1668362499 2137930293 1885868129 1622032181 1923091248 1338664104 4881743062 3793271962 3394173894 2380121492 2634589161 4015868090 3248672705 3362051936 3443232907 3506207963 3447138188 2783227549 2986025302 2826234531 2832890535 2892234060 2896513179 2799668462 L-Tyrosine 2028977656 2148853713 1430151735 2843019818 1801506829 1584794173 2105574407 1807448401 1927077445 2060815644 1252595984 2325232766 2549913695 1915646510 1886548147 1237796034 2086283703 2408951363 3062557180 1384517309 1774822989 1767774120 1525844922 1525036324 1373551781 751762015 1392310755 1457878040 963375554.2 1890915958 2013746024 2381387971 1988552807 1951406069 945851560.2 1849521701 1346314737 2377224501 2009689261 2375246911 1372623934 1335797064 1155856760 2370868688 2523231390 1416408223 2000687982 2145379511 1570028224 1360433387 1333645544 1553270676 1079096291 1580451730 1448164231 1268590991 1883997669 1345662677 998464456.2 1087307798 1620840949 1264482975 930143737.9 2590115109 2107084476 2259561862 1992961554 1393288723 1414106180 1449799580 1923344193 1696468707 1980561921 2080412422 1652461428 1639152284 1759110234 1619428046 1444573301 1709831090 1699736486 L-Valine 2967444876 3185911997 2500460708 3523647162 2100094464 2022630557 3238736475 2785719462 2619269369 2737133610 2086424265 3223143916 3017569584 2585568013 3093658752 3150619850 2719483854 3356852656 2457716594 1882508096 2576738720 2984438566 1772536235 1680908839 1839920292 1618108860 1854785525 2329255144 1814525068 2765909578 3226966989 3537019095 2415906267 3521245776 2555419635 2218348611 2481709067 2698707800 2967134911 3224008170 2862119211 2191833278 2510082478 2906738705 2791615305 2772534545 2919381082 3264387337 2838137303 2012319445 1774465921 3145024154 1853493887 1986312098 2108876211 1950116362 2910311948 1737587595 2152831852 1938275319 1747868388 2413553565 1626532084 2742941604 2552597064 2948168840 2670073516 1852137211 2995438534 2035360783 2381669983 3070647273 3295287000 2689804331 2352905579 2406449219 2416944400 2367449657 2343406381 2401794555 2362455503 Malic acid 126529402 69424845.82 193914690.5 75610463.67 144070174.3 185630758.9 164095454 164980232.2 129312298.4 162470633.6 176144140 107423931 198948247.9 124531644 100659081.2 137413809.3 150319171.1 114036557.7 136705115.5 88934603.51 98110825.76 90397334.61 132077980.5 249367021.2 367687555.6 203809200.1 187308983.3 142558860.5 281462610.9 143816140.7 129135199.2 164927013.1 225682034.1 127217047.6 93517908.74 129180789.3 364773015.6 136043218.3 82605407.89 132383311.1 175068867.9 199094373.9 106359663.4 130510650.7 99237647.35 151615167.8 136700719.5 133582447.2 281963651.9 285124019 370878595.1 173336447.9 197133380.6 379547057.5 92390561.16 182829592 130123341.8 67182982.68 194048671.3 448961065.4 243434918.5 370464015.7 237203350.2 129430322.8 116959165.9 91180613.02 77444948.16 337313622.8 115964438.8 179889999.6 144962180.7 113912609.4 48995100.46 123428649.6 174872820.6 174680443.4 169528025.9 170040643 178937015.3 170112054.7 173700876.8 Malonic acid 916938.3939 751794.6869 555718.3082 821770.6863 413528.7796 417869.3644 910236.4373 337698.7 315845.9052 1054969.578 433242.0218 526092.3189 1203950.256 510272.0306 425824.1623 515854.237 481940.2507 411362.7836 454100.531 508672.952 402133.4884 1076930.819 15559341.55 23956134.46 35015115.34 19491313.41 15963497.06 31890120.18 16695787.66 844180.6186 377091.4563 211106.132 495831.4367 384159.8588 1711697.127 526643.4656 655912.4925 1484287.101 503514.5155 784999.8991 330019.0379 311484.9802 304529.382 969491.2092 1683279.53 352208.8381 333316.2264 455633.197 900809.6219 18946796.63 25364263.42 766885.7744 20425859.15 36574481.27 333903.2046 786301.4125 942569.8859 405070.3171 20935550.74 25717432.34 20383543.09 24373910.52 24430408.44 1006462.229 690085.3329 382504.4614 864343.492 185135.5485 428438.0426 481698.0957 402325.1991 1227433.174 609652.7626 1338110.021 7574939.544 6821450.913 7520655.405 7309852.453 6909821.124 7424330.688 7329471.677 Methionine sulfoxide 47315498.56 18583309.37 25426948.89 38878332.42 73522112.54 42393805.3 79544612.02 37107586.55 42770947.19 15854934.28 25577864.83 22156079.36 74325414.18 44649993.07 20016760.86 18630364.36 47015950.58 38631783.72 815892108.2 18929794.34 37011154.68 68258984.53 60976788 35343641.22 56944306.59 19365372.55 53620733.07 35363653.5 43621815.89 39555281.78 31437152.37 57725360.46 172152293.4 39993156.96 32650811.91 50971216.23 24414297.45 84302647.43 73280988.5 25911609.07 21403867.81 29188102.13 26502571.01 139809464.1 72972365.16 23951356.21 54855224.32 25428367.37 62339788.82 40373644.15 52275965.59 19813879.58 25440571.38 69642029.51 48285584.73 38056098.17 122270830 50164370.54 35279666.8 48857322.28 39463169.07 21142034.19 45956636.59 85688775.43 77331158.9 62278051.54 113814015.5 83274609.45 61217758.09 55824532.41 28620327.78 31266302.84 26662927.48 65025711.32 65262951.11 65955915.54 73224703.26 51730489.07 61558773.84 65607150.22 70572752.07 Methyl indole-3-acetate 89712719.8 105744487.1 38301760.58 5029896.798 99689770.36 2232562.454 10575666.49 15336035.66 7773874.809 12424076.15 6103648.395 133743.1126 38314740.03 4960110.509 2462806.645 7071668.948 10251558.37 8976922.878 158391.7862 4980147.605 16023690.1 20905773.07 16850519.02 8044086.276 14841777.8 1515878.289 4139238.529 11473476.21 2308717.573 10018936.46 44019764.04 20011365.3 16689280.17 373792.1272 23735150.28 63753405.42 46176618.61 20151750.8 7016207.145 1765648.583 11408842.76 2712805.479 8251064.254 11108424.43 10314366.94 994777.4273 15988363.25 3139747.705 5660188.18 5614889.49 17260453.16 8740331.287 5637282.597 2744514.631 5188535.028 8720071.404 20721355.88 13778589.66 8718584.582 19076809.08 4633995.153 139067.4597 5198557.61 4619547.463 24124502.45 4314906.925 2774868.554 170367407 25237690.01 5161244.317 10845743.11 11616778.57 8218379.154 35834369.34 18493080.32 15541307.83 16662122.06 17262509.33 15162981.61 17150348.45 17779560.3 Methylcysteine 26062322.16 12652473.17 17627277.26 10190407.51 63807715.69 9189063.619 12171240.74 70466575.71 14084515.62 14839987.34 18130744.22 10321369.2 13382626.78 7259187.765 8783524.083 21619269.74 4918667.706 7472707.547 10184809.51 48391955.36 10583045.49 21529222.29 6284680.339 5053608.283 6660194.804 3618390.739 5773221.322 11524584.71 11572186.71 11346971.6 7481794.439 3612306.477 5350726.662 7512716.386 13739137.72 24017270.32 18084416.22 11823270.34 19096932.56 8411941.744 17605154.59 13250123.38 14296562.62 6888048.36 5647890.071 12644969.66 6103391.58 11586906.6 15830531.68 3597345.352 8735890.556 10094477.31 4599940.684 9594403.774 40208727.51 40471405.92 7818637.965 8387226.849 8984357.421 5257518.452 5134960.205 6109862.877 10240041.09 5177158.518 12721468.6 13628681.77 7249720.87 5497074.337 7636403.562 18025264.83 13613383.61 76725214.81 10917102.59 9608747.409 12642606.87 10143877.98 13851023.37 12784781.09 13345225.14 11566930.07 11893739.14 Methylimidazoleacetic acid 8044805.572 18252221.94 6853211.637 37082565.14 16221565.5 14874559.41 105017610.9 5996955.411 50972279.17 160954939.8 5704562.544 13968824.42 34628708.69 25563211.85 32846069.36 35706140.92 48418970.61 28697026.34 15748747.69 5753292.723 10319214.68 47299521.59 28440514.97 10583716.22 58116141.34 56862426.03 30730821.47 27986949.93 9143500.583 51209292.67 38890988.59 87256014.56 70899099.75 55764902.53 448943598.2 12888696.29 26728885.8 23878013.23 30082423.27 10613215.02 6886881.997 13645648.3 46050947.22 42640605.97 70501398.23 27541861.33 39882290.49 10325788.93 43393811.19 32357436.75 18614166.59 26225466.27 62787333.88 37270464.09 29914940.45 21481345.4 122245197.5 19355136.9 39579856.32 18250021.99 17122992.82 37246681.47 22489672.64 134426254.4 19083362.47 26817331.4 44589780.19 41787360.19 42542807.69 35587784.66 30051436.38 25129207.47 17171459.61 85663247.12 42519011.11 33368957.06 40198707.64 43308674.87 38987053.76 36040523.38 40866562.32 Myo-inositol 7839212.893 5932692.362 9545848.601 6303006.003 13949498.51 16709877.53 8513028.317 8740729.794 10743489 10256695.7 10585833.84 7176335.281 7409155.4 9133713.514 7550957.939 8127037.955 6102261.797 8774013.809 5713514.961 5880483.87 5889431.409 8417004.642 6605380.835 14568910.79 7659077.901 7478641.852 10285241.95 5122297.705 7138743.164 10703820.52 5455324.618 5739080.555 6281811.905 10771090.22 10316198.2 6973056.135 6117604.146 7998381.251 8304697.371 8062286.365 12048532.75 6326750.228 8524927.107 6765274.643 10474187.2 7345756.494 9322052.81 10046936.38 9151889.231 3844391.791 11648715.7 6914513.808 4764031.878 4974172.982 12142164.87 8475776.785 39124095.47 11996232.2 5747280.052 4582555.467 12045364.16 4174498.509 3761952.181 10691009.15 16894249.04 5195163.684 5423644.916 21353497.09 10819244.91 16741647.66 12210385.3 8442494.486 4940069.46 10526952.22 9121370.1 8175522.978 7733006.011 9106886.692 8098318.966 8963187.355 8416465.577 Myristic Acid 462012397.2 506905756.2 461701308.1 151282091.2 360814294.3 1413847753 300905584.7 828100589.4 485303417.7 347264446.1 635642142.6 306977595 207992096.9 701551546.3 374540916.9 380839717.7 482868416.5 526407458.1 157922083.2 559746596 327690610.9 258537656.8 217640769.7 155879722.5 145949824.4 204879668.1 178685908.3 202859658.7 226953721.8 210570545.2 316511610.5 606831264 528773793.2 625523392 322967384.1 493663846.7 507018457.5 228506114.2 424337926.5 509756111.7 487281342.3 317711989.7 412215179.8 434674815.5 273414855.8 328460683 292211154.8 477411382.5 316739268.9 497246066.2 231086291.5 629351830.2 204044966.5 357829957.3 232862540.4 337411778.9 339607617.2 253222555 261746319.7 210009242 193708859.7 313021063.5 512878075.5 222004822 322407647.3 460530008 172751987.9 488760117.7 387460079.7 212206268.9 251379430.1 373372603.1 372784133.1 368267988.6 356301648.8 344540452.6 380510642.1 368703256 365546066.4 333981953.6 366189813 N-(2-hydroxyphenyl)acetamide 3078657.211 1452837.203 1261284.683 1422960.79 1131651.402 1043064.188 1255313.697 18901283.18 984278266.9 1303268.308 1113473.429 1474995.145 1492577.139 159797339.5 1229285.112 1336781.853 1348861.168 1452020.703 1229193.286 1088322.891 1621078.188 1323958.296 1015837.768 1119872.435 983744.9433 960424.6801 789008.6987 1132949.135 1024087.42 15151765.2 1642285.975 1263340.204 1315206.908 1485334.322 1361025.542 1264713.011 1664123.538 1700219393 1376746.69 1382148.329 1291390.023 973133729.3 1251801.674 1414159.757 66098365.11 1385305.159 1278622.25 1357712.705 1247517.196 949855.4446 938036.0562 1419860.343 1403664.315 988315.3515 1371996.767 1427746.985 1641357.72 5616359062 1600675.333 1167419.85 838606.0895 1064196.341 789337.3794 2600410.481 1557217.922 1019155503 1429905.628 1170886.928 1365463.589 1441824.427 1323480.211 1400627.906 1316635419 1762680.218 261087510.7 264661073.5 265607844 232716730 262586796.1 270901992.9 256279828.6 N2-Methylguanosine 21295853.96 26125125.49 19036969.19 14473150.58 18029169.16 19334969.8 11903065.13 13430832.53 20338714.85 25946249.22 13177749.8 51262328.79 14621766.75 23577656.59 9615569.928 27155307.4 13706199.23 16027260.55 17419092.82 15411199.72 14152212.54 23946425.9 416879.725 400130.0817 433941.1103 392235.4126 369498.9343 455937.1101 373407.2431 24269045.35 31602079.24 14720566.61 16587079.07 653990.3376 6376676.661 6408554.535 13378347.14 14581219.38 23011741.77 26603818.74 45183783.34 7348017.272 16416530.72 19361877.3 16674247.43 21093038.8 17462718.93 31549421 49854622.42 541629.6875 429483.9781 11101327.31 419383.0832 504214.7735 4224281.886 6457757.631 5422979.825 10872936.28 573134.0284 461960.9385 355597.1785 507287.2482 696515.0965 13341375.19 16472764.2 25968814.84 8842672.265 9638329.886 15406061.91 7200326.987 7774077.963 36580477.3 689211.6291 27662491.73 11193720.23 12499375.03 10747044.96 10491078.67 13929849.8 11117703.18 10965076.12 N6,N6,N6-Trimethyl-L-lysine 37428197.43 42018564.71 63218904.89 54689075.07 42980501.39 58740749.11 84455268.3 34803284.03 49202333.05 56081125.11 34285825.17 40400832.89 62199848.57 70911849.46 106705551 85765585.31 116965334.4 160663769.2 72644558.25 92324213.08 40861985.24 58007022.22 25824902.85 143750393.3 43103290.54 29858504.63 36070565.21 83518914.74 37873282.49 90156071.2 79680863.68 146592599.1 58910727.63 141537435.7 146813030.9 54652186.15 68223853.6 75185257.89 130088391.2 49892338.03 70029387.07 42602103.06 89364020.64 65423708.55 67936940.05 69295231.94 35329739.88 48068688.21 43293698.55 23973578.84 48016149.77 55930286.99 54642605.09 66473195.1 120246272.6 53184222.03 139853771.7 75117752.88 55056813.94 46964550.71 48805583.3 43875403.86 30256078.18 64003485.41 104933870.5 73365690.26 98566818.86 48224192.33 55415917.22 80587422.71 51774767.36 48615346.91 83975360.91 62521101.1 69635065.21 61829738.06 66194169.89 69246678.34 67641479.93 66917790.92 65342288.57 N6-Acetyl-L-lysine 23804489.85 22250274.28 12896184.9 21611155.76 12921289.96 13427063.07 20461990.99 13518525.01 11251418.17 9662824.269 13255271.17 18262616.14 18397078.9 11323447.77 14486513.25 17441325.61 16746819.92 19682600.85 15179210.26 13619376.41 19128541.62 16335678.08 12559693.8 11877256.57 13583971.46 10950832.94 15371926.96 16852687.4 12758376.08 20194913.3 19925763.82 12003089.37 12154867.75 17473925.16 26044436.01 14112281.17 18077114.92 20211760.17 11080052.99 20098001.53 19030841.18 21142717.42 14156009.84 22888629.02 25064069.93 15067216.48 12852677.28 21683354.7 15998160.21 11050513.68 15011172.71 15176613.96 13382210.69 18329002.49 17608902.78 21539043.26 46444367.57 15854988.63 15037799.13 16824771.12 13845766.45 9716309.197 14325804.52 19849381.11 16868287.37 20240861.52 34451825.76 12221332.3 17546589.82 17144079.97 17468193.74 16333558.38 16671356.83 17168670.28 16677894.48 15910742.07 16971924.6 16650731.65 16369458.16 17170178.86 15933368.04 N-Acetylglutamic acid 3056579.979 733281.5858 1956409.837 2005521.219 3436099.335 3974545.807 2201317.294 2832914.533 1642286.073 1471465.969 2030604.108 989200.6006 2816688.059 3646039.389 2079555.124 1883947.805 2275411.5 4702793.982 3334985.151 1447022.452 1947268.543 1471223.394 2603310.998 1293323.748 1482549.719 1456365.057 3366716.526 2507099.276 2110156.436 906959.7588 1130844.064 6378023.491 5573302.093 3730412.83 2428947.522 4085266.142 2507220.008 2249038.693 2167220.275 1742932.022 1806099.99 3040529.28 2026887.789 3552413.901 3373796.576 2290028.918 2156619.508 2083557.533 1250315.706 1422272.217 4422818.8 1775585.097 2154913.813 4133642.878 3107953.828 2757205.625 5238561.583 1488450.993 1570284.739 2412577.457 4333536.423 1733118.394 3151606.557 3229919.338 2008003.99 1801822.468 2009372.496 3315675.326 1077179.941 1997846.779 1117349.383 706056.9057 433342.8602 2177002.55 1772872.496 2571788.169 2125987.862 1884960.051 1858153.521 2125967.071 2138175.817 N-Acetyl-L-alanine 18012964.21 18122944.12 17682836.76 22041129.49 13754530.7 18328432.82 22137231.59 16581797.04 14603714.67 18921087.77 14121427.74 20018992.59 22540069.84 16696993.25 17033880.91 24729130.85 18865330.43 21137170.75 25640533.25 12945464.13 20099998.05 18821201.36 13396852.77 9924981.977 9829608.552 10624175.31 12413800.49 12281845.08 12403555.72 22782296.15 18936183.9 18093447.23 18915802.8 20132110.6 33417777.65 17244717.08 17313781.11 18019774.22 16154554.97 21255267.89 18364172.63 14539510.19 16757129.86 19314843.03 14890049.49 19738161.13 14051757.86 24749350.86 16742587.72 11406007.37 12170281.53 19569896.38 11857200.69 11784310.95 18466818.73 21685521.65 45310644.53 18267995.9 18058972.64 11691138.88 12038775.15 13278544.53 13432137.2 14306129.15 16697105.61 15567953.3 20092247.9 14867657.5 17417962.46 17879002.57 20109829.95 17630013.47 17928691.52 20935355.41 16766292.73 15374599.79 17729278.13 15687554.33 13850550.31 17846064.55 16277284.6 N-Acetyl-L-aspartic acid 5132942.732 4510761.036 10433743.04 3521565.626 12760456.79 12674684.61 5138919.378 10530426.95 8728454.898 3779062.147 14963707.75 3070620.976 7679816.965 10240143.79 2669937.447 4664581.568 3813619.055 5063120.214 4772353.445 2351376.373 4967028.978 5430033.352 5530085.893 4568297.866 4628711.199 4262565.987 6383124.478 5453465.786 4641543.594 3200919.068 2867248.924 4328884.661 4431913.706 5568505.823 6359407.257 6491499.818 12514247.24 4128095.587 5120210.813 6214597.841 11503588.28 6821189.537 11313265.02 3966789.051 5416414.053 2905469.238 11171923.65 3799286.312 6717054.548 3289213.205 6867889.467 3972134.304 7722415.536 11238672.85 16045054.88 5597032.59 20242639.18 4554524.823 7794546.087 7114975.424 10174271.38 4952096.96 6738672.724 2923423.878 22348558.6 5267868.885 6117248.464 16078569.41 13994505.47 18093070.13 5111950.468 4137694.148 3362355.19 5854513.605 3784244.451 4122896.309 3416008.092 3803234.03 4868751.39 3464264.035 3649480.506 N-Acetylornithine 71780474.74 88757031.05 192135036.1 73750817.54 240259960.4 26019109.04 62558298.78 135871542.8 170755412.9 115238353.8 122853236.9 106651587.5 106122619 71487827.58 20263157.66 76981797 45947679.37 66305458.72 53537846.15 138004977.2 85641995.76 50984284.23 92647747.69 85798811.19 129853908.4 153033224.8 85626111.19 142197495.8 55919404.73 196152165.3 201360852 73316349.49 91845143.42 57525626.58 126837044.5 79887762.23 127367085.2 98891041.05 57998963.46 91675328.18 155146013.2 88414105.11 52720128.33 81256344.95 296080954.1 70165319.57 87444425.2 36772006.65 136991403.1 57270054.73 99445469.21 76950436.16 60275747.46 33160315.59 203395011.4 65992874.17 393938185.9 91120827.73 114235199.2 232217299.7 104829895.1 14791398.74 32687052.47 200960240.7 95881436.01 99677644.45 86779406.15 115183822.4 148156627.1 118543816.1 194715776.2 135063784.4 181040753.5 222276370.4 108307373.1 108242457.4 109988193.2 108714714.7 115075128.8 104165488.9 108596185.8 N-Benzylformamide 408391430 416243535.6 343103875.4 615468705.9 370631439.4 322273111.8 443515883.1 353345152.5 359031245.7 390589174.6 292649507.2 451762345.6 505033407.4 385070986.1 325833765.4 265515263 382497342.1 469746639.4 635918243 252796718.3 313359669.2 321975851.5 270827229.5 290794167.8 278745922.5 164902574.1 271488319.5 283345034.8 187504697.8 339688142.8 394144263.3 504094897.8 397636918.7 388437447.7 177900536.5 353487781.7 304502645.7 401541570.1 344628419.5 454953741.8 312900283.2 230538099.9 268354181.6 427705971.8 456371670.1 253863815.3 378660456.1 414638300.7 282231826.5 269163152 250131643.1 281451242.1 256535587.3 315733981.9 260513077.5 296394077 417173744.6 252764541.8 223455777.4 257302941.2 308056578.7 235056078.8 206799298.9 540685999.7 418561357.8 420290370.5 369102940.1 269294024.5 318428674.8 273896902.9 345328201.5 294175197.1 363026302.3 409524666.1 325976529.5 330915450.2 325481389.2 321509347.5 314855303.6 331156730 327027669.1 Nicotinamide 1-oxide 1279381.983 2895616.943 4365890.92 2945304.087 1354909.516 44942877.44 3247722.9 2126279.367 1359098.843 5076003.819 4789448.131 1334270.723 5131194.534 1245451.01 2488813.102 10791161.82 3954201.151 2212137.98 1112269.821 2232775.405 384392.0534 1478763.039 2352279.807 851445.7066 1225710.002 1628142.356 1061739.379 1610337.179 1328069.288 2029259.439 2798837.059 3430445.836 1883675.037 3995354.869 3145838.329 1288032.837 1241235.702 2313998.17 1630068.637 3717206.529 2422629.544 904290.872 1963807.954 1240342.408 6275813.106 2123804.846 2543887.115 1996868.685 1614058.724 2505470.99 955557.002 3970687.98 2622257.688 772867.1432 1060444.171 2007035.594 5284506.459 1308909.686 1883373.646 579366.1167 3094416.075 3465739.765 19152417.2 1091437.399 3063312.328 1709517.529 7405826.41 2548254.844 1288717.178 3243607.688 2189333.66 1682388.664 1759908.173 9331393.772 3198014.154 2884901.788 2368189.78 2853143.949 2250982.106 3057457.775 3166447.434 N-Phenylacetylglutamine 6428971.443 7731073.993 4155278.239 18757114.92 4714760.306 2201507.671 5282735.621 3593815.514 5618777.114 12836027.35 6452116.477 5880796.77 10867343.65 6921187.828 15872439.94 6761923.373 26515427.08 34272093.25 14107701.24 6564385.099 8770437.946 12147757.87 5718732.536 2441379.226 8145144.59 13830172.08 7012538.335 33527434.99 1856892.914 38771410.55 4675655.625 15674459.34 23458528.71 8505834.514 100864865.9 7940129.439 5092715.727 6914613.037 25668484.45 1777120.312 3036602.834 43363496.08 117979036 9079258.237 2460479.369 1030606.158 5710768.497 5160222.078 26356706.81 3607468.682 9089286.965 10414288.96 3069446.02 9830051.368 14546700.38 10614696.7 23842427.98 33066431.02 6737182.822 9078931.221 11780052.91 10940457 6297194.159 7147234.92 5849556.018 22801218.44 30425060.75 6090926.464 8956903.862 16633768.77 5018179.727 6118482.733 11532727.79 16909504.33 11095170.72 10033664.26 10149053.75 13846211.77 12012416.37 9327088.768 10808187.92 Oleamide 148114502.3 218010886.9 197734187.7 197178956.2 168914096.6 137521119.7 201533344 203443492.4 265485515.9 146393605.5 295112913.1 275120394.9 213730678.9 195520529.3 179652424 189274955.2 186660595.9 212191768.5 227106856.5 161131986.6 205485272.4 202618181.9 59115984.56 209791798.4 109787074.2 86496163.58 150673430.6 148360087.3 168375662.8 234175945.3 206360312.9 136163951.3 164439187.9 241420002.2 325113821.2 170927510 190180302.5 224840427.9 254436511.8 252894948.2 167924049.8 164988674.2 134111532 220686654.9 222487199.2 212967680.1 149137517.3 204539350.7 169265439.8 91764189.78 136181350 136411947.4 133184576.2 97592221.52 70977035.45 158636655.8 144902614.7 87081654.94 78122311.54 83417507.41 119636521.3 126404164.6 139442750.9 64336246.13 146717280.2 153292794.5 157970628.3 56944920.18 136329468 113912300.5 154063974.4 190133162.3 115463109.3 154392282.5 112642471.5 192718045 148853579.7 172425464.5 135330982.8 152311132.6 147768949 Oleic Acid 4127141628 4525186011 4066160089 952573192.6 5954179696 5911173052 1955547034 6585628291 7006197714 3553359566 6746634175 3496702520 1516131247 5521256506 5062644798 5393250430 4484624313 3378167489 4168299647 8089582295 4410166099 1878909142 1602346343 782582320.9 429566442.4 1558388999 1960778944 2642520460 2659777201 1212308286 2474392772 3992111859 3464183736 4308857637 4485857672 5379477350 4794547481 1616222838 3048112604 5653817087 4860873299 5024806293 4778825995 2419957656 3723147131 5718898193 1959520376 6196188985 1468013480 4577530824 1325633990 5651112630 917614237.9 4073167861 931526478.7 1588770478 1467050552 1340561180 1198780945 712107614.5 1202484773 4585118863 6770423539 761133244.2 2942484580 4989246267 591083299.2 3319207918 3401831159 1680187544 999376831.7 2781282981 3583973268 2148536085 3176634945 3024733630 3363141134 3235859491 3255855030 3133940887 3120434604 Oleoyl-L-α-lysophosphatidic acid 168439513.3 257772576.3 208268521 200983449.8 266702493.3 234128991 105599688.5 140407191.4 271798718 227324279.6 210096448.3 219000628.3 219275975.4 204897913.1 179792806.2 228052672 225344104.6 289919997.6 98576917.6 118429700.9 240073699.7 322053711.3 174408337.7 158093352.5 112424504.4 96889939.75 101288252 170176000.5 210799643.4 345780034 440432972.1 287453148.7 347778402.8 294360638.8 154293263.9 334147004.9 254115645.5 206840296.7 270113817.3 215012510.6 241505750.9 118752996.7 244389361.2 72156149.11 326598406.5 242364059.5 243520832.7 183586048.3 282222955.8 120043217.1 193573634.5 350189590.3 300406374.1 104728469.9 276266952.8 325254871.2 215409835.7 255517543.3 292780577.2 111261078.7 225910715.1 183618653.6 227077558.6 337634971.3 311738295.6 341195661 245368655.7 317393178.8 99188561.03 297371821.3 160238566.4 271773958.4 400273181 106533292.2 219271880 212749502.6 219439898.5 232247514.1 242056280.6 210991403.4 209801892.4 Ornithine 1522983752 1359738910 1648250719 1471727507 1922767230 1263769269 1651810240 1325447783 973769958.3 1806153992 1276423045 1579790320 1825565178 1371555123 1346751997 1107132532 1771892988 2114541475 1574639577 1630363548 1486162514 1792070468 1041011465 926477228.3 1157189602 550760152.7 874846967.8 1322500629 1172466846 1203719310 2234296203 1813899223 1769978422 1438540374 1371341496 1355877958 1619133534 1520279333 1761010897 1688215074 1858478815 1256631936 1572464112 1473650037 1515778054 2045350623 1596244000 1591281833 1460318449 844678496.7 1283405384 1297540321 1346554024 999026830.7 1224508565 2229437391 1271742923 992132395.3 967544377.8 1061736152 874294429 953266551.4 805848699.6 1774596650 1734987824 1976324229 1356887308 1521869833 1331843192 1719229044 1241251728 1159931815 1089670273 1409577552 1337628476 1179093775 1430978683 1401715201 1385024205 1305367995 1274381745 Orotic acid 6330660.728 10967145.14 4913738.251 4387920.254 3259136.016 6324634.352 2861465.047 7539041.208 4027098.806 5901654.372 6270256.721 8004420.539 3098055.451 2880514.658 3670952.719 7453272.944 4055465.572 3675791.988 2668138.492 3550180.698 4906320.516 3697826.185 3428158.371 1534454.905 1750459.156 1143819.676 1561840.599 1228187.836 2201672.943 5474705.877 17543095.15 12262580.18 7212091.595 8162521.81 7106640.887 2053074.639 9462843.662 4577128.78 3003322.867 6973872.053 7822839.488 6850635.979 2887397.482 6660499.309 3726412.323 5466799.851 4875392.569 4275979.832 6139443.661 1807389.589 1854749.358 4347133.229 1472811.872 1715749.063 4558736.855 10222614.83 13175478.86 4486578.837 3740250.176 3240392.103 4440000.202 2828016.49 1903114.108 3690068.251 4293542.002 4692192.355 5529397.719 8216292.287 2722150.835 4011540.838 3543976.514 4449676.783 1862132.147 5194371.934 4389086.606 4158979.056 4588693.635 4776072.344 4255437.205 4659762.015 4132854.723 Oxoamide 649073.3716 791296.3308 5337325.388 606142.1465 12248550.38 542465.0197 21218933.73 471941.015 555620.7839 538988.7745 34094172 573689.2522 21430281.99 520775.5769 1068151.943 509121.2431 599739.9508 429492.5104 4463285.876 418686.0475 511952.969 1284532.304 14324272.54 7349893.103 586124.8233 533431.6551 12548722.99 405604.9584 435132.9852 675351.5288 666129.5949 575766.5434 2019693.195 607291.3096 24073777.85 965154.3819 7019351.062 627364.1365 5504228.161 25381070.89 9805245.554 67557586.96 491365.3198 479919.8053 618063.675 5952475.525 462284.6769 567337.4744 568954.2116 579308.361 17719323.28 590202.6162 468742.7208 15052258 2593252.55 623268.1926 503843.1691 446268.1855 1654285.893 1048551.24 354459.3775 13095776.83 6461587.84 3814284.323 36232947.08 10049957.44 35462831.37 1304153.405 618592.1345 647880.759 319643.9763 485432.2766 681931.6839 663578.697 2550096.141 3115512.826 3224964.073 2375202.128 3772417.647 2737206.875 2643750.513 Oxoglutaric acid 116028685 102232404.2 241359002.5 89291933.96 203994086.9 209779018.3 133576112 145396105.2 127365063.2 85176590.71 118546334.4 75420413.08 166446137.7 201508912.2 115989445.2 81645565.77 108778025.2 105692588.6 113894332.7 59651708.22 67998371.7 54668389.28 50210617.39 54463471.09 48312742.57 74657047.48 63853662.32 60815153.69 90374915.23 103282572.7 67787167.46 172708799.1 145521960.3 100612885.5 156763259 158132018.6 241813046.7 153178000.9 117261049.9 105573434 190297852.5 200302041.8 160616391.9 198518830.5 142326178.1 99737665.27 127928634.1 105500761.1 221103548.9 160495661.7 61643250.44 194391755.7 127619745.4 44914017.78 70021566.74 98019410.8 103015748.3 102830058.4 72832368.77 67679853.75 89107938.27 103387903.4 93014243.47 96943700.26 161392624.2 98526466.2 54179020.8 204437968.7 63485095.07 88202060.36 62854437.1 46191670.15 58942746.2 99507693.43 98973197.14 101447307.5 99937047.97 92144546.88 108964547.5 96411302.55 98679943.8 Palmitic Acid 3325020060 3389629117 3085581671 1074269714 3253873844 4799242125 1539232805 5329772749 4081597018 2601785372 3801797348 2717258158 1421927967 3309963171 3540585023 3560335804 3161416767 2584089743 2394022932 4257195879 2753339316 1551340495 1275969967 925991784.7 718568603 1241729125 1592534367 1869187984 1837662629 1353820504 2614808411 3245057362 1963782460 3006620007 2389347487 2741727377 2909788416 1341899039 2681553838 3311730379 3009467951 2572652238 2121877910 2112952107 2298515478 2654094061 1751570791 4056646183 1355499278 2696914220 1331259792 3118522598 769668151.1 2832924974 707037827.4 1221225586 1134581800 1085293567 1069061402 755314103 908282217.8 2183676336 2489164740 1128969443 1511989728 2267469895 783836242 1846315674 2223912821 1107261858 1163126048 2796209759 2259788466 1874169190 2244740229 2417845996 2386605761 2361404219 2371339079 2269700687 2333782159 Palmitoyl sphingomyelin 257969733.2 265441430.3 169118251.6 283511267.5 103573214.9 106942372.2 256493969.9 86435769.63 175267753.8 273415392.7 136793169 474969401.6 252370723.8 122663181.6 130307321 322431703.6 164680289.2 204370755 303398105.2 301455311.1 278629871.3 312988322.8 102156368.6 174258574.2 103495397.4 93338465.48 157832034.6 156835972.1 124649251.6 249176419.9 230603332.5 86817183.25 105136620.8 167741281.5 193453789 114174584.4 107495252.9 256237006.1 209032712.5 383082688.7 130187552.8 438977399.5 180041501.3 104936300.2 195974687.2 198720118.6 85612271.25 278215134.7 164260565.8 157432622.9 225172142.4 186504946.4 180135524.6 143097067.1 52064106.59 280018189.4 132605904.2 115839595.7 151485658 109922345.3 108794746.2 139181884.5 55744734.66 47844691.12 159634014.6 133412147.6 183701414.6 47491452.2 170919277.4 110049333 114609296.4 166457549.9 189981674.2 160922311.8 101251847.9 124239523.6 168868776.7 78567539.89 104111501.3 115338700.9 126992987.4 Pantothenic acid 3636564.297 5841466.609 11205642.52 2428359.213 3729702.833 17537676.16 9261321.614 4189651.286 6385176.205 8467189.679 4467746.219 3621542.886 3522063.616 6535879.443 3352792.865 3317803.988 3329801.604 1880732.304 3074710.996 18274671.37 12698649.62 1525684.294 2271794.989 2806162.558 3443602.438 1782117.993 3082802.221 2444658.37 2515893.795 6584827.038 16708816.27 1077776.343 1769913.743 4894433.828 17288437.2 15588321.79 3641405.619 16438332.3 3528825.917 7112409.8 8293136.388 4440072.411 2822814.094 8690000.825 28229587.13 5983064.994 4891905.355 3524943.91 5648041.026 10411082.47 3353677.669 6156174.69 1791286.059 954541.5979 3646060.831 8761486.495 56287729.44 2429738.474 1742533.352 1918510.577 3387314.1 5785055.683 11042220.72 115102008.4 5896988.023 21731961.13 732255.5508 8209422.687 3810116.878 2906999.293 13008500.46 6415135.836 5065186.834 15555945.81 7455270.909 6835016.916 7036818.963 8086228.577 8002770.608 7650233.402 6503821.024 Paraxanthine 1789997.538 694200.5477 16160089 3336500.929 8735863.441 7787737.332 17900766.77 3106190.446 5745266.037 2044485.846 1340018.774 2412594.122 1249308.263 5794694.199 3735563.982 1249359.23 6171205.624 5047331.549 1270359.176 5600655.296 6326599.9 7015477.933 1669031.748 682376.7484 6081427.788 1093715.768 1546596.936 2655853.794 5218583.452 6520844.627 4955199.36 2122509.16 10908699.1 19728525.47 2678398.017 2988480.149 3193798.008 3993179.539 6035695.643 1806781.751 19689901.3 682783.0091 5314763.982 1749966.546 3856569.439 1964844.329 1011879.187 5956958.179 2994188.144 585456.8427 4303218.523 5531726.37 3622245.307 1029247.922 1546621.053 4401182.433 5367513.584 2008085.108 1315337.488 2501079.005 4365875.396 2188468.778 6186788.401 931196.2982 7224395.566 1972245.265 9650458.8 1775483.286 7399787.624 4084419.011 3157085.651 2882944.41 1474726.406 10053515.62 4841287.783 2584719.711 3870497.426 3692293.829 3825440.279 3488745.879 4301178.753 Pentadecanoic acid 47035704.58 35287266.51 35876826.73 5932851.809 25836226.62 61696839.22 19401490.48 46749561.35 52273416.72 30102549.03 80112921.64 29400474.58 13263364.74 79489257.31 44072775.88 33536191.53 45467211.05 55874321.56 17946915.67 59470582.39 29520515.31 15477012.43 18171812.12 11585787.39 5126080.347 16795212.79 15560414.17 14113620.04 21735302 15121144.79 42648614.2 82653769.13 81023908.31 100745592.8 18351887.83 40254471.53 48254382.98 14460547.81 22412884.38 42176108.46 59299277.73 12188173.8 40253948.33 41999883.83 19093092.96 37955122.1 24380520.58 51540056.43 22385807.49 55432812.14 18796856.87 63141809.57 8230611.635 18247806.9 18875544.62 24773672.71 14463386.98 19686849.12 13732883.84 4823447.588 8346437.82 35319643.48 61243429.6 8563570.963 30378692.51 54406748.5 6809954.653 58353208.3 29079561.14 21439573.02 19096607.22 17296586.61 26299895.34 39082568.73 30010116.89 32160993.46 29257715.93 23259201.61 31293676.38 32862701.26 28998097.9 Phenol 16617432.55 22491910.24 4096720.368 21245069.98 12350891.37 6602536.615 12292637.6 1046721.977 2814030.62 588886.6224 20939766.61 18073698.78 20181750.01 14548730.04 15187879.39 12107417 587446.9844 18261430.08 381415.0383 14832334.7 440194228.3 15143341.55 10785068.93 476260.7831 1547346.295 11074858.28 5859541.75 12780101.35 3317998.13 16803157.87 3019620.124 5089095.426 9372423.68 16410471.19 68233729.46 20890857.38 2607291.204 283123420.8 21339462.09 19075857.14 721872.7418 17140568.03 16469355.2 17308650.57 18192926.54 12567221.16 14952325.95 5054502.512 3841058.575 399698.1323 11368544.19 13384435.15 4902976.614 13635573.18 13562329.96 15193608.79 5442389.911 10434082 13169492.65 5057144.014 11701575.4 11030041.68 10059291.1 13821902.28 17045177.01 13696897.08 783874005.7 10270859.84 15857945.78 12377358.48 50745514.57 9193699.143 9366840.733 797925.5542 25192797.75 23671467.29 25469461.03 25058766.88 28566567.81 27396016 21958340.83 Pipecolic acid 148597686.6 145615300.3 238830281.2 60074376.26 1340774062 59844227.51 296612510.1 1178609315 383256611 83387266.93 39620369.56 167944145 101072119.2 155288780 91045680.76 348665716.9 89622454.53 97012387.41 268209839.5 588201368 59011748.4 151293014.8 20339586.91 29685544.78 87730557.63 49805138.37 36467302.39 53448845.77 177230720.8 80979308.1 122604090 66210387.36 101587028.3 135814919.7 152369132.1 535570387.2 282419829.1 223320863.2 79750827.57 44207837.17 207236901 353264888.3 498797226.1 100383562.9 103382656 66654619.61 47145940.4 112292093.6 70366750.87 32707174.19 61900687.83 99479123.8 36843889.23 167256883.1 1022840047 497313300.7 104003300.1 50031897.25 64389286.81 40772839.3 81820639.13 21889281.68 159700073.7 145246091.9 71882534.61 154101839.2 52622622.81 80022689.26 42558662.13 99691056.07 440078590 701663952.2 49459242.44 163999808.5 188963813.9 185849544.6 191721786.6 183130157.7 186432901.8 189660276.2 186876127.3 Piperine 49206948.89 20319785.16 12915078.17 74320701.93 6466113.719 55748561.68 33989314.08 5647951.111 449969673.7 196011609.4 5627633.62 7397141.038 7076924.671 36573746.47 51923707.8 145466735.1 19998511.79 43723639.77 517688657 4893078.601 5916429.42 6743079.239 5104054.334 24211360.5 6070325.472 24799406.55 184073941.3 4144345.211 23521325.46 100594251.2 210886726.2 6039684.814 91216507.81 6620247.597 43879728.5 7052158.982 8602715.614 89591350.45 59225847.73 23866072.17 14726151.89 47183999.71 46621699.6 132776138.2 154408065.2 10519838.35 59100314.75 6071436.354 21445608.62 30469821.33 7344414.925 59921716.78 4735074.458 24101769.31 47608204.57 25544995.12 5342299.722 5346383.52 48512981.86 4792264.223 75921705.65 5069261.79 4968640.044 26008295.7 10245444.71 54628265.39 60186547.42 9728626.609 315474533.6 17083182.77 15314070.94 18808415.17 11715881.79 45896927.04 35532059.59 43270994.12 42347674.57 50558135.59 47121045.96 41242127.27 35419381.01 Propionylcarnitine 85740987.54 102009619.4 83220411.84 166356952.4 111237400.5 72946570.87 49080461.05 73050200.77 60481765.04 100585911.5 53804522.51 68947651.28 53983649.08 106628191.4 230408042.4 70840178.25 136036394.8 169520560.9 64554828 86814609.26 71503970.89 68319592.31 91334607.34 48234654.33 54791939.21 43057879.65 53983789.56 98869650.28 81630838.6 98679320.85 151158482.3 202247751.8 207372491.6 227605064.8 113274091.9 166315448.7 134198375.8 108462975.7 69031625.64 96751182.66 94940349.1 38041406.27 77009141.64 80458635.05 96151850.56 65587991.75 78373591.96 52719177.73 66604970.64 21178277.74 86351793.34 201636341.6 29524111.54 47760403.83 145446298.2 106963368.6 64805201.52 87103569.92 57255493.7 43759311.85 49654042.51 73755357.14 30374572.13 41304486.06 37202533.12 117831898.7 157278199.6 76351747.85 124793491.2 56990887.27 74900907.18 96150893.35 53735354.55 110077806.3 92877727.71 83642356.22 88678826.85 92536309.34 91526902.37 87366667.18 88884854.27 Pseudoephedrine 1197452.8 1475891.092 1158564.943 1470680.016 1040853.324 1093919.884 1304530.224 1401073.694 1377276.252 1298941.722 1298527.213 1306007.761 1607138.859 1135606.865 7434034.924 1447143.909 1144581.617 1594965.178 1382050.329 1124016.122 261595786 1518308.419 1236986.164 1374943.097 1400068.438 1027860.031 1124075.501 8143676.048 1298038.308 9270728.006 1314827.102 973900.9806 1294200.959 1350172.085 1593075.404 1491637.501 1087148.837 417763660.2 1652618.531 1469603.596 1394279.127 1252223.289 1236147.352 1640844.503 1419380.486 1404253.129 1466728.392 1806946.496 1330351.768 1111375.768 1591128.559 1170837.959 10320283.41 1462625.009 1372715.334 1459702.633 1188749.445 228288417 1393989.646 1270760.626 1333871.733 1296759.183 1277103.084 1119207.865 1245851.065 154559333.8 1476598.614 981611.7998 1382632.101 1017002.663 1227097.34 1369582.126 1619679.155 1267384.845 8437618.319 6001859.193 8274051.729 8108409.606 7010137.847 7890895.757 7550165.981 Pseudouridine 94114257.99 97364440.96 112550406.2 121383129.9 93799540.35 109359998.9 112919276.1 90084173.74 68108289.57 123250604.1 94070627.82 104206914.4 136354416.2 80396973.22 77233580.85 110250503.6 120698034.7 89867427.41 83869800.99 89958359.88 116852469.2 76637945.95 49242572.82 39502564.34 40432102.77 45073129.98 39626090.85 48472584.12 57335899.82 122733670.4 116692168.8 76391831.65 92010538.63 95316338.34 198903009.8 84427858.8 127080418.2 83885562.19 100631673.3 136671518.6 100526315.1 82116301.26 106860362.2 120382406.4 90373949.81 99935431.83 82343947.09 118142843.9 103434233.9 45597892.89 46205310.55 92622626.48 68591592.72 47925326.43 113672840.3 121816330.4 153171538.9 32598644.82 51596727.05 45574063.27 49911693.17 56212520.13 40646166.19 85329121.77 139408692.5 70471894.82 81592306.54 83554282.41 107550714.4 103142047 114527682.9 101085165.2 81228447.69 107861854.7 71944274.99 79253684.33 71592477.39 75391540.16 77492212.95 70287467.77 75311122.1 Pyridoxine 449092.8401 482583.9693 317540.2501 463109.0019 427384.2173 737706.7387 2630228.578 473975.1505 45460106.89 438320.4592 305357.6039 431596.8759 477133.196 3803596.023 2704794.551 2652918.154 747858.1166 478305.1257 659342.7793 312465.6628 55735214.23 4689226.368 258171.7354 328780.7446 594100.0873 644796.7406 2093316.907 872787.207 205875.9518 1745914.071 853886.1943 692900.1165 578376.1617 1276953.346 41378329.87 587436.898 584498.4936 201164110.2 791160.0545 1576456.138 319635.0723 12417776.73 717685.3331 714705.6275 6018022.395 733301.5593 639755.1932 2566218.246 517612.0742 732522.2161 545267.4811 788337.3457 4295162.495 719267.0863 974087.1828 991183.6758 2696298.378 213623673.7 234372.2965 658674.2742 415479.2708 333068.4364 712707.3655 2088406.623 260974.8587 27546632.2 142854944.7 345040.0925 415464.3911 353136.6597 656702.0167 332081.1369 45563665.7 999071.9076 11904752.88 14847592.99 11541164.2 13696694.33 11452126.8 12402797.86 13416316.75 Pyroglutamic acid 630238936.2 717287744.9 685429239.7 1061422602 736786436.9 622014387.2 946582241.2 709723388.8 955583999 814596267.3 941374305.8 929202157.7 789057833 723706683.4 571565967.8 329360946.5 1082500737 356034514.4 404335026.9 630571064.2 823715588.9 1003179520 320407819 278343097.6 271393162.5 224801482 259209333 311259344.8 469898637 373281527 1184848997 1661651398 1306874432 584818686.2 356719999.8 421197324.2 1150416952 798506301.5 406637169.1 825042574.7 755216951.9 789228007.5 726352865.4 792628352.5 560976673.5 1092633633 742100023.8 890136521.4 1798461959 258691073.3 386275894.8 1246392707 495862733.6 308658341 682049940 890813409.9 338308665.2 725918168 311645465.2 363578648.7 360617390 351368898.7 370374292.5 794733272.5 654970928.4 1247861099 589681691.2 1737250037 670742649.5 1153772098 497779953.9 563031608.9 188793812 866589685 690742332.1 503616947.4 502780737.2 504324889.2 698908132.9 682582893 506099517.6 Pyruvic acid 382642769.9 388100393.1 515445852.1 613702888.4 345828397.4 682056927.6 515126687.4 472085400.8 268126566 333186779.3 501559931.9 322702240.1 385236319.5 728523000.6 574989212.3 487672014.5 607467156 537934169.4 386353012.2 249685413.4 446914626.6 356493536.4 546235789.4 625193189.7 501204994.1 459759143.3 292712750.2 532834485.2 717480556.7 945109196.2 370437924.1 365707542.5 583438900.7 523104890.9 218730078.5 779732886.9 799709252.2 463388223.7 641262704.7 546074798.4 302053857.7 453476391.2 281978995.5 905330636.3 588603167.5 357618132.9 393753717.4 537924457.5 596937370.9 707857438 585033126.2 1169182713 816958133.3 235604488.2 270850414.7 1217826862 659438315.2 293009865 362058733.4 685270235.1 702164161.8 527559736 533199195.1 258497173.7 228834078.1 411122561.5 587666399.3 552163021.8 109202969.7 325774797.1 652201316.5 738779178.7 640037286 737774716.6 476898578.8 491841888.4 489490299.6 507850756.3 462459424.9 460853934.5 502700503.3 Quinolinic acid 4955259.366 4349830.246 8576075.782 3143925.844 5942629.846 7726754.137 1599063.376 5353714.858 6407283.998 2250424.924 5161227.873 2654825.194 6908188.038 8224580.593 1113542.699 2846150.481 2550156.173 2800021.29 1951226.037 2832580.9 3934472.751 1652906.114 3988895.074 4384504.597 3850389.245 6714092.742 5506900.324 3873192.226 4750291.896 2319197.611 2064887.321 3895287.363 2616067.736 3122152.166 10197357.28 3757696.311 6363650.006 2708090.085 1676749.64 3024698.771 15153394.76 2598253.088 10588680.79 5080683.766 2204425.443 2071423.001 7585181.71 6420112.835 1085684.801 6075347.147 2311056.336 1579779.747 4035185.648 3492192.229 5733222.322 995752.9985 20901321.68 4578855.38 6301615.162 6129970.316 5347630.699 3568799.237 6263661.178 1081084.486 8892669.224 1583977.38 1194818.117 6990164.477 11571710.1 6967496.874 2121767.893 1826328.534 2657925.329 3400621.662 1986247.792 2598504.94 2515161.88 2109037.835 2885146.73 2421019.421 1996651.785 Salicylic acid 2300075.1 3770844.791 3850189.227 1836705.658 633104.5426 4089306.102 31063949.72 695492.4809 8241503.032 3993612.785 532286.0146 3429890.127 3332591.804 4825918.65 8928541.842 709996.5567 616914.5483 667042.145 983630.071 2483019.939 3216076236 121677634.1 902269.2336 2518708.88 1163048.224 821357.848 47685330.91 1005061.222 845926.7253 1022472.142 11538173.34 4726419.606 1926470.783 1433693.249 451019349.4 1378009.292 632192.4052 2141559355 1443154.219 3118431.067 3931555.736 1421562.513 1802674.105 977658.8734 22356889.89 678017.4895 1612945.798 41352136.36 1940676.442 495518.0122 3368967.565 3236061.722 44063276.73 1061537.377 5801771.67 1892784.842 7287801.569 613026.5591 1016383.274 912281.8669 2350478.168 855922.4261 792854.9687 2506017.853 2258261.718 967680.5894 6509027313 560291.61 2325051.208 1658018.356 1057956.645 1658027.368 960622.4724 5366353.741 194231033 186860032.4 189973610.8 203375874 192037107.8 196128597.3 186007899.2 Sarcosine 58962173.53 60429981.56 30792817.16 111614398 55103338.95 20462228.76 143451600.2 30828881.83 29399547.97 66224820.02 14558362.93 83027058.02 102812002.5 19636809.86 75233805.61 83432890.44 50750594.27 76848396.95 123296560.4 56633155.66 84947221.25 64939360.75 18238588.05 33519622.43 30060344.92 13982052.9 22151211.24 37423286.82 17005875.8 61605711.05 87715890.79 45471117.23 69738298.25 127729292.1 74137304.76 194861481.6 24370440.67 113623843.5 55967181.37 50826083.14 29923689.21 63515299.81 26777127.23 67007297.83 136042452.9 65990002.27 37911397.94 85554656.85 113952215 34118417.69 30164605.01 76300862.42 38044977.81 21834831.43 21525385.49 112492029.1 46892263.98 74070519.38 33317681.91 28223766.53 22653401.62 23186202.57 10625352.39 282932405.4 66588371.32 55360542.24 40279400.02 21917474.55 30695423.96 38467820.45 83335773.39 60718639.55 416587940.4 110278423.5 63142023.74 60755618.94 61614908.76 59939212.73 64858644.2 61899514.66 60905507.14 Shikimic acid 359414.6098 290168.6245 255131.0376 759616.7845 184694.0083 260321.0933 773431.9293 207060.2686 240415.6429 404673.2748 268701.8373 231432.1613 640362.7941 479048.8063 204018.5222 348557.7988 251701.063 263960.634 248801.8836 331098.8893 627489.2981 370361.3923 7520025.611 9007553.41 9775061.132 8009279.481 6825560.992 9606792.353 4488029.582 519773.1021 337430.1955 354253.8042 551484.2899 540595.283 394768.2018 358018.5669 381957.2587 562048.4145 541616.4379 383908.4394 226687.4367 429014.6774 497104.834 307253.8128 512733.2232 252259.3905 399143.9889 646239.2145 625995.0594 7663149.745 5141462.359 595180.7136 8729422.367 5950035.643 299694.0479 372509.1845 313467.1664 281333.6859 10485876.7 7170953.955 8121300.31 9460823.243 7377385.011 559531.4215 317986.4118 692013.7214 393911.0521 108601.7838 452035.7119 168458.0618 438541.1924 407691.3051 641458.9653 452877.2087 3627906.694 3470172.731 3327690.127 3449163.498 3631958.515 3486721.24 3486299.595 Skatole 23225678.64 30143724.33 29850544.56 31126152.22 23847845.48 17286123.48 16292164.85 20566341.54 22669485.46 26125309.2 21587595.47 26389529.02 26888608.98 22713619.83 24143957.64 24482659.15 24240853.21 21575706.68 17840256.74 20468346.35 20588268.7 20610382.47 15259771.48 16337859.66 14505976.75 12369036.93 11990716.71 17584910.59 14824121.99 33218162.91 34651049.99 26169879.29 22955271.26 29468902.72 12636964.85 21078491.3 21059853.66 24669226.29 21823997.27 26713340 26447822.62 11687280.5 26583532.97 19293450.39 25910503.87 25502913.6 27016165.03 26075607.93 23898653.73 12682459.18 14875006.24 27349108.87 15607852.33 15033918.44 28714279.84 26379301.43 22215007.54 17757182.67 16241122.94 16593122.58 12832438.36 15090115 9683308.273 42779338.26 34075057.86 29418453.39 19028249.12 22395420.03 34228481.63 25616709.28 26652578.28 30968523.33 27827291.91 25441364.36 20179024.49 20919946.26 20821432.37 22281481.35 21222350.35 23165789.81 18136979.21 Sorbic acid 384403.471 355702.9051 225436.2244 358382.6957 269907.3257 253049.1826 347543.5485 305570.7441 370267.3554 198470.1755 208658.3893 461215.5615 400758.4533 191053.9083 298511.1574 430196.4328 269583.7604 211733.5198 255882.6994 430599.0465 410918.651 395980.9268 9969768.944 4669225.081 6079471.949 7728667.707 8360931.326 10130736.6 4315224.161 498778.5187 253398.4721 247590.4136 1104059.015 346873.8034 266478.4701 255960.3629 282309.0233 300721.6885 249112.6899 454873.8516 270713.1954 423487.7819 273282.7452 504261.8672 481127.7402 400073.8586 671548.7828 268423.0535 409100.2967 16294237.8 7793165.6 437271.929 15668104.63 6945763.978 547569.2109 423480.1447 337185.3037 182697.9016 9654479.245 9292434.293 6513590.077 3806312.438 4243355.279 357983.7349 237263.5752 283876.8706 653907.2745 324981.5976 349291.0035 952823.6551 2348099.968 245088.2982 432894.6258 469429.5632 1608594.059 1859095.047 1943518.716 1950392.354 1449130.036 1649788.898 1890963.855 Stearic Acid 2124266016 2453705209 1674838132 2004661218 2650022914 2629364006 2210822735 2502609481 2159833110 2105772791 1687821301 2632865986 2132524154 1997051142 2004580017 3156711815 2342260458 1584263331 2061147828 1853185501 1494876587 2718748541 1894380095 2039815196 1315664929 1277549103 1843524251 982620354 1827805457 2493509590 2743341887 1754684910 1926148728 2850747684 2266925646 1999048755 1561582770 2168024486 2935571594 1945234392 2030424321 2796065300 2328405170 2071205258 2148490528 2367005618 2945905785 2585586773 2596133526 2342302682 2093315504 2700669837 1567091867 2130307564 1454347650 2084884926 2255871652 1663392519 2138261510 1616423877 1773695433 2008741317 2072731305 2026365644 1459993011 1353721794 2146866425 1109851801 3037716344 1152803377 2203426313 2758873282 2780075240 1618587289 2813508945 3235029053 2568601520 3570197728 2837893235 2837185331 2971604739 Stearidonic Acid 28219272.91 14255207.67 8878544.283 12553410.53 6089398.839 9418328.386 13986683.31 10324482.66 8946000.781 13350285.05 4489295.628 18981960.13 12591542.05 7135613.061 23886659.66 27765641.68 15183595.51 18077312.63 29175592.08 12896069.95 9532945.398 20770397.94 4630344.803 6707382.79 7968456.14 5832171.413 9804296.486 10684204.02 14380606.56 16873448.25 12627151.05 10165047.99 12436494.92 6095755.875 13748890.7 19036986.62 5456837.33 18037760.74 25144586.25 22837546.56 5496528.012 7661118.626 4240270.941 29753007.21 21553406.7 12912459.51 5795756.927 20750791.26 14834610.28 5479550.675 3959264.355 17249812.97 10433349.27 9956704.152 3322535.582 13763344.98 4917008.641 10711822.63 10556649.4 15120548.97 4985550.14 7415845.183 4962771.96 7701001.074 4109318.775 19254675.82 11241563.63 7193798.692 8011945.98 9185258.654 8029352.885 5057493.657 11930556.94 17984612.93 10790063.08 7915282.552 9057268.217 9609133.298 11250126.87 10424399.14 8321475.081 Succinic acid 9924712.867 12229632.24 10110379.74 8571909.838 8482706.925 10095794.36 7110638.044 8956267.427 8613727.167 13476237.15 13989740.56 21307759.66 17088857.17 16310085.32 5156175.707 13400463.66 11725538.44 5946534.563 6505006.287 6347851.429 10922104.46 8168637.756 10184266.02 6786418.152 30665122.75 16934032.32 12998238.03 10033572.82 14600705.48 8898579.962 15155656.66 13144577.91 10213250.46 12245825.54 18078290.09 10725874.88 10580248.96 5524809.516 9970945.038 11830649.57 9717209.969 16618334.83 6519648.565 7455118.948 6513341.492 8303486.841 8568325.464 15210635.95 9170441.007 10156406.14 23905192.57 13891004.99 11292823.56 25727961.81 5968152.134 10320233.14 5738675.159 4079981.269 19777960.25 11420619.98 18961271.47 15309476.8 23361248.83 5655191.61 7650178.852 6523629.98 5756958.911 7999120.255 7727897.749 7779766.627 5549834.324 12108614.18 9525946.383 9362518.297 12611576.01 15481866.72 13325949.46 12002104 13084533.98 14423662.21 13257604.41 Symmetric dimethylarginine 122772069 151761587.2 156769808.7 164273390.9 160398395.8 158637191.6 161844626.5 138580070.7 114414890 157487179.7 151953767.2 120507018.1 168131718.2 127435816.8 112731635.5 148951234.2 169633402 125791060.4 143972762.6 180929977.4 170078160.1 125710560 91943334.9 89284855.67 77912283.45 64534583.3 84654084.36 74434445.68 102351312 144787337.7 151602441.3 95780583.91 134503037 117553299.7 259985299.2 128908494.1 185074547 144207098 150091810.6 180017390.7 185893158.3 130953404.8 146016081.5 149018522.1 129052874.4 152763500.3 130519905.1 152789030.1 165132977.1 87057913.71 121701765.7 144583825.4 140924164.9 111797745.7 146106513.8 170494775.3 203105460.1 156688717.6 124807323.6 108466337.5 108533880 119061003.6 110373158.8 152636098.4 165317629.2 160931937 197068184.9 118344044.5 147217849.6 135857805.3 176051894.3 122632759.8 154784077.3 165399101.4 136428774 129416812.8 135704495 133459231.6 140255018.4 134101148.8 130951760.2 Taurine 1536671666 1476244296 1112678438 1329366712 1081049759 1274282112 1169090748 1563948871 1788973197 1730944563 1227710107 2305030401 1515402804 1366167549 1241302387 2071124264 1040597314 731777147 710333078 828759146.7 1326265893 1204461068 810613932.1 896754332.2 702155612.2 826488748.9 908948343.8 1187117608 1277755338 1972024742 2262820475 1162490870 1507063587 2355316938 2842253366 968287800.3 1045598121 1424834436 1739422595 1177225730 1416000339 977662749.5 1111171598 1287255030 1048717938 1155415175 980895242.4 1878160597 1359688565 970879615.9 883105291.2 1153052149 1153763987 414872947.3 1510720226 1921939096 1340351472 1138976882 1403085674 1137326910 844954458.7 1105598335 861897440.4 885359174 1086478020 1315520371 1540266027 1058990560 1444866042 1082944546 1458282579 2555620441 1283778361 1606634973 1510552135 1444372107 1429275183 1373369360 1360121279 1565749089 1444910958 Taurochenodeoxycholic acid 9767446.452 1401980.886 795770.7802 2493614.453 65006438.2 1590812.213 27019198.15 2304908.213 1120559.87 11313728.8 1069816.935 1030972.298 17316991 6555146.417 4157999.991 1566489.594 1142545.522 3041891.953 815402865.7 1096516.187 1127037.827 4291905.987 4604804.031 5433934.902 2079246.087 6868246.299 5174849.049 554386.5929 492450.8361 5971741.519 2414477.743 3387928.998 8137078.509 4929028.225 6267143.328 4078412.792 2166003.866 73416622.07 8331022.218 1674933.822 770281.7483 892711.6969 1600640.919 14415654.68 2997871.003 8250169.312 1465754.947 13590474.17 6114188.44 3232586.569 4166540.68 1134057.424 2818450.017 1530364.906 3253715.93 3547151.244 11206536.83 21525643.16 5655999.905 11817046.7 1162558.108 1053333.893 852114.3216 15874070.2 928649.1738 3223370.545 3520890.374 11643767.49 1596408.971 6936022.509 1712523.373 732398.2281 14981546.74 32947179.02 15603691.15 14290146.87 12466033.52 15650547.14 14219201.11 14391831.47 14829437.02 Tenofovir 364000.6071 404400.5989 359265.1995 448486.3208 319680.2808 324382.7006 324559.7408 307707.6774 343716.0657 359473.4996 298153.8512 368609.4201 367198.0999 299275.8955 342962.0159 354339.944 340855.7473 340149.6863 546479.9627 265770.9125 283538.6201 354955.1121 241641.5697 246580.0975 222819.5745 197047.6504 198618.5909 251272.6661 223256.2206 366376.1729 354039.7759 12843442.24 5922191.77 11105756.89 362168.7955 335071.2607 324342.0164 374598.1301 381145.3842 344907.0797 341487.4881 292849.4861 285743.1437 14961644.87 373711.6388 348365.691 305759.4103 313022.4047 298041.7565 213163.4575 224322.1624 287385.8285 221076.2333 218598.8079 250307.0348 7895801.869 274786.313 347831.4086 232604.8969 227291.1642 23733974.53 200250.9926 193659.3254 335123.1242 298507.6903 311409.9654 273881.5798 191648.0402 313678.2937 254434.7425 38853939.22 313642.1464 316053.3012 28270537.91 1390606.707 1861982.859 1377903.933 1846211.698 1773675.76 1684269.155 1398437.892 Testosterone sulfate 64660846.83 180453726.1 271412789.8 173617782.7 122217368.7 144099046.5 155265137.5 28197780.61 170130352.9 165137228.5 226942043.1 57575219.86 45625897.74 330370604.7 147221048.2 171978512.4 164991452.7 145806166.7 11631359.88 136704695.1 154735612.9 127962739.8 216916100.6 111295603.6 179936707.3 41659601.2 217656689.7 170727382.3 54335409.89 203634763.8 483124282.1 128320844.3 275753956.6 274528809.4 65878592 60114531.03 113989329.2 33721242.47 26027320.53 49377831.03 243620187.8 223684835.1 210225716.1 141227886.5 163656099.5 249037162.9 218629091.6 108335132.4 369519337.3 71421531.26 71434096.41 21659468.27 133590225.3 126705800.7 294892531.3 363450559.5 110563309.7 25138369.63 409286371.4 202466523.3 123286754.8 258554107.4 143658075.7 97000260.39 161533721.9 336901483.3 61197581.18 297327592 322506800.6 315391881.4 248241658.2 438450475.6 216906865.2 289575883.8 182364702.5 171254585.9 184201622 124288425.6 167555302.1 178757239.6 181275246.2 trans-Cinnamic acid 14148042.37 10411221.55 9713763.106 14046315.19 7785035.765 8657669.774 11881929.14 8962210.176 9246680.56 11366559.4 7653406.308 11017669.94 10763549.15 8472738.152 8995540.312 9560162.582 10670070.54 9879832.683 14176079.93 8177508.023 9153237.326 7581425.33 7398156.908 6073306.874 7814834.212 5497091.119 6936484.449 10221419.9 6409562.765 10606956.27 11288227.15 13515332.05 15249889.42 9262645.947 10047879.78 10465743.9 8574837.787 10209407.67 7465476.912 10858492.94 9868859.789 7174161.251 6962098.974 12161208.78 11894616.22 8475901.585 10932580.45 11234536.86 9857093.318 5503721.576 6191993.934 9749100.716 5848349.598 6130176.836 7462471.578 10184115.94 13172792.82 5969379.618 6098836.074 5068777.779 6520247.111 6604197.257 4975420.33 12676780.41 10771249.75 9921682.651 9086034.539 12768364.58 8658005.586 9918018.267 10911598.09 10565725.43 7927342.612 12484550.66 8962756.717 7825930.272 8774397.316 9292388.708 8209440.717 8535805.577 8617799.806 Trigonelline 320097652.9 52671953.46 580849294.1 275879326.1 1361449614 54669883.42 1332799353 187935697.6 91373127.01 34877421.34 7128560.623 52843677.38 120359610.7 779085944.9 18145037.39 9847391.298 29622787.14 51762237.8 7586234.759 131853825.5 412170746.4 1050036507 13205061.05 290265844.5 348587275.8 32742534.14 10782823.95 19335579.04 34953351.51 275649917.7 40922237.6 163742834.1 1242488929 698354246.2 29299814.18 389581027.3 129167815.5 23802706.65 49969408.93 73694949.72 230364764.6 4901489.96 77867967.3 23484606.06 34558747.9 110478394.3 11362316.01 6913442.505 14092010.23 12499184.23 9128240.542 69016346.58 107275446.6 110499494.3 297608365.7 84009262.87 199735062.1 241240891.8 23334396.23 11759193.97 229492941.1 17667527.05 111389905.7 500335360.7 255091022.3 26158997.37 1064776797 634056495.4 185794957.6 324886353.5 249461745 353263751.1 25333052.66 992353790.1 229310294.7 236897718.9 235679015.9 254679088.4 238689060.2 223058885.3 236318204.8 Trimethylamine N-oxide 44721458.69 38406201.34 80646573.57 424269436.7 60419136.39 59760026.28 147040632.8 53184881.21 40564882.87 117973835.4 68896349.05 32050945.41 101705890.6 102087834.1 1035432402 56835589.21 417033349.4 159324069.1 126681836.8 1267003680 41100922.96 155363797.5 64332508.45 17685167.82 131504301.4 100505514.3 55916801.54 116814690.3 44436655.66 612290358.8 266544486.2 61353185.73 74128988.16 583622429.6 379811876.2 81550645.01 68962901.54 204975682.3 132948241.8 35930133.22 46382952.25 162210725.5 154910940.3 56848232.24 22846398.51 61842458.24 35376981.63 91176391.01 158293605.5 73410058.22 150412340.6 218053428.6 63945599.99 36907709.29 517576112.9 47466888.71 420778654.8 107897839.3 143684864.8 57229381.58 60619960.48 133440433.1 115865513.1 73538396.28 358483613.1 119465010 384452554.4 54039631.76 99860142.07 148656714.7 360367903 90740017.84 110146035.1 77480366.04 157312946.6 164560192.3 177643023.6 164472424.6 206818751.2 181187352.9 131378272.1 Uric acid 1964142236 2731619896 2294270491 2332459980 1945286377 2768780943 2127895323 1755493217 1850103851 2450580600 2231758617 2542980169 3041523642 1991044373 2283214984 3783308508 2183342605 2180015714 2192541553 1775724070 2345488811 1929368053 1232702374 1251161723 1157839335 1430066763 1287792580 1419026222 1379699622 2563109944 2474541819 1777341772 1740053206 1766472922 2935323941 2088129802 1936846582 2093593059 2378735555 2151149540 2027828338 2107696013 1973472080 2401913692 2153830893 2662097321 1786349792 2541418552 2012292176 1130315844 1294469523 2814140686 1292791628 1304157880 2050220246 2312611351 1945856710 1901481327 1379032267 1331899012 1444519315 1112193985 1244703596 2374441271 2244884978 2279826263 2830056011 1692254236 2563241545 1953557012 2259911383 2781679655 2506288563 2235967502 1843394165 1790208598 1840819271 1826612368 1736022026 1837048777 1833419739 Uridine 23934987.46 69345870.63 93276978.83 35496172.28 38104643.06 61687699.1 52533603.14 72154156.69 113301338.3 78236646.63 64347849.17 80708576.63 41013253.73 44736951.57 55366366.51 53389100.05 60500040.17 15853149.63 39386620.14 27793157.57 42477759.61 27575932.44 21016059.96 32251778.71 33273812.23 53389950.1 22950668.04 31335545.91 47043309.31 67960210.17 66885679.8 28873474.82 40165508.93 51383462.81 32514122.82 38256907.71 46920737.22 42472242.1 45462726.7 59248146.7 55033425.4 24403069.51 47837099.31 22937399.32 32510423.61 33224893.32 40232528.33 60122762.36 54824305.71 32475994.22 23593259.01 42761230.35 36722122.44 17103213.63 26885276.39 60012696.62 28410107.53 37242671.39 43202377.55 21358129.86 21964552.05 53343256.53 45508187.42 21014914.11 45579751.48 60995679.28 23707688.45 53339963.67 49467444.63 44159424.71 58757086.74 71466427.46 18776552.8 39374448.39 39003198.16 35898857.08 35111866.51 37896874.7 40234386.69 34523002.21 38041937.98 Vanillin 779270.0112 1306253.468 1206710.374 3944724.949 791893.5324 1057833.808 2672606.638 13010080.53 11205784.86 7331400.973 1010810.219 1281226.871 1381964.867 714159.4416 726730.1401 1013992.691 996519.0378 774273.0432 510239.803 722502.3669 584046.0492 686339.5582 811901.5545 849271.3731 951291.7278 1474863.078 1023410.998 702694.3884 603359.3459 750825.8237 8265818.897 448458.7867 741048.6175 2770403.675 1333950.4 591825.6398 1107554.883 1119457.119 1178315.531 1668382.186 993488.6454 489658.6704 1114872.736 1392905.666 1084028.107 2531076.258 830867.4868 778614.5128 907704.7337 712570.023 273990.2408 1284123.194 2050118.652 665370.1419 557952.6539 901312.2596 755311.8499 454413.4033 2557395.193 534891.7529 582147.8855 652755.8929 462647.4333 609947.1153 1115737.379 524502.23 1055792.753 905517.8624 651288.2891 651565.8415 1188115.556 484779.1411 486144.3725 813129.3763 1749524.197 2641827.546 1811754.649 2328929.691 2492710.605 2098312.993 2007999.535 Xanthine 26476681.17 25270068.89 76359604.82 30255383.9 36599789.66 42069443.42 34810185.42 99180376.26 94099414.91 44534456.69 33021957.85 54310594.92 31608471.16 47308170.71 19685480.89 22730556.98 27000927.25 14871156.04 43353292.45 17265515.04 16748531.67 16164800.03 12597800.89 14843951.05 12147048.88 13734964.95 11157333.23 18245651.69 35802815.5 26821682.98 19986453.32 48136432.92 22622187.69 24069009.76 26509412.59 19790042.33 47144559.04 30924017.36 45171363.16 40521148.34 76223487.9 40420476.55 39658340.59 17998320.79 15121021.52 22031985.47 39844944.19 38151579.97 42292017.99 31370459.81 13283959.23 34934980.35 33241594.31 11088306.89 57312481.31 30877457.13 22654451.62 12473960.16 32837429.1 19104235.24 11546863.01 27798631.58 22758731.71 17346400.02 25163322.02 20832454.11 15543252.03 64841872.89 30800292.51 29930500.64 14655525.34 25481741.48 20687730.13 14269065.99 28687096.27 27204752.33 24738138.69 28427021.61 32169550.42 26808111.54 26328428.09 β-D-Glucopyranuronic acid 5612145.86 8086133.623 2388566.435 3937468.052 4113974.808 2109893.29 6761551.006 1471162.011 1918988.79 5718308.942 1680405.095 3736827.645 7579883.065 3979218.431 2722322.656 5106697.245 2464554.936 3717533.569 2692200.541 2747698.631 7111156.947 6061472.222 171343810.9 252206458.4 356604931.8 217665855.1 185771251 337784791.6 179630440.5 5149982.55 3584553.434 2682169.052 5132186.23 2392824.264 12821573.44 4205522.711 2982042.998 8716243.992 5923667.662 3247969.959 1826736.49 3230461.374 2705403.99 9174310.4 10623515.2 3892840.926 2174831.469 2366903.993 5822824.628 172664595.8 296720092 2240045.85 231818339.9 374079556.9 1996802.655 6173614.327 8815925.916 6170666.816 253287773.8 264598180.7 217133165.5 301938848.1 261265239.9 5830604.317 6332286.981 1700537.542 4819725.74 1385157.418 1492215.496 1393537.53 3098744.459 3928111.341 2611296.523 10547541.06 88971190.6 81004836.66 81391574.24 78653039.39 80441278.89 84566963.05 86659141.46 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Polarity Formula Monoisotopic Mass Retention times [min] HMDB accession CAS Number Chemspider ID KEGG ID Pubchem ID mzCloud ID (1'S,2'S)-3',11'-dihydroxy-1',2',5'-trimethyl-8'-oxaspiro[oxirane-2,12'-tricyclo[7.2.1.0Â?,â·]dodecan]-5'-en-4'-one Positive C15 H20 O5 280.13203 4.467 Autoprocessed-1750 (2R)-2,3-Dihydroxypropanoic acid Negative C3 H6 O4 106.02665 9.785 Reference-394 1,5-Anhydro-D-glucitol Negative C6 H12 O5 164.06859 6.387 Reference-176 1,7-Dimethyluric acid Negative C7 H8 N4 O3 196.05974 2.887 HMDB0011103 82720 91611 Reference-16 13,14-Dihydro-15-keto Prostaglandin A2 Negative C20 H30 O4 334.21474 1.759 Reference-4609 16-Hydroxyhexadecanoic acid Negative C16 H32 O3 272.23545 1.277 Reference-2551 1-Methylnicotinamide Positive C7 H8 N2 O 136.06351 12.821 HMDB0000699 3106-60-3 444 C02918 457 Reference-138 1-Nitrosopiperidine (NPIP) Positive C5 H10 N2 O 114.07924 12.512 Reference-3370 2,2-Dimethylsuccinic acid Negative C6 H10 O4 146.05802 3.128 HMDB0002074 597-43-3 11209 11701 Reference-129 2,4-Dihydroxybenzoic acid Negative C7 H6 O4 154.02664 1.563 HMDB0029666 89-86-1 1446 1491 Reference-156 2-Furoylglycine Negative C7 H7 N O4 169.0376 2.769 HMDB0000439 5657-19-2 20549 21863 Reference-3104 2-Hydroxy-3-methylbutyric acid Negative C5 H10 O3 118.06305 2.561 HMDB0000407 4026-18-0 90190 99823 2-Hydroxy-3-methylbutyric acid_2 Negative C5 H10 O3 118.06307 1.791 2-Hydroxycinnamic acid Positive C9 H8 O3 164.04709 7.628 HMDB0002641 583-17-5 553146 C01772 637540 Reference-168 3-Furoic acid Negative C5 H4 O3 112.01612 10.998 HMDB0000444 488-93-7 9849 10268 Reference-1735 3-Hydroxyanthranilic acid Positive C7 H7 N O3 153.0423 2.763 HMDB0001476 548-93-6 84 C00632 86 Reference-198 3-Hydroxybutyric acid Negative C4 H8 O3 104.04743 3.26 HMDB0000357 300-85-6 428 C01089 441 Reference-199 3-Indoxyl sulphate Negative C8 H7 N O4 S 213.00976 2.771 Reference-1303 3-Methoxyphenylacetic acid Negative C9 H10 O3 166.06307 2.861 HMDB0059969 1798-09-0 14948 15719 Reference-207 3-Methylcrotonylglycine Positive C7 H11 N O3 157.07358 6.73 HMDB0000459 33008-07-0 148224 169485 Reference-210 3-Methylhistidine Positive C7 H11 N3 O2 169.08478 7.347 HMDB0000479 368-16-1 58494 C01152 64969 Reference-213 3-methylphenylacetic acid Negative C9 H10 O2 150.06809 1.731 HMDB0002222 621-36-3 11623 12121 3-Phosphoglyceric acid Positive C3 H7 O7 P 185.99251 10.58 HMDB0000807 820-11-1 704 C00597 724 Reference-366 3-Pyridinol Positive C5 H5 N O 95.03692 2.76 Autoprocessed-3843 4-Hydroxybenzaldehyde Positive C7 H6 O2 122.03658 7.639 HMDB0011718 123-08-0 123 C00633 126 Reference-234 4-Hydroxybutyric acid (GHB) Negative C4 H8 O3 104.04743 1.798 Reference-1486 4-Hydroxyindole Positive C8 H7 N O 133.05254 2.768 Reference-236 4-Hydroxyproline Positive C5 H9 N O3 131.05817 8.473 HMDB0000725 51-35-4 5605 C01157 5810 4-Methylphenol Negative C7 H8 O 108.05761 1.527 Reference-3199 4-Pyridoxic acid Negative C8 H9 N O4 183.05324 1.629 HMDB0000017 82-82-6 6467 C00847 6723 Reference-1 5,5-Dimethylhydantoin Negative C5 H8 N2 O2 128.05864 8.741 Reference-2985 5-acetyl-2,6-dimethyl-1,2,3,4-tetrahydropyridin-4-one Positive C9 H13 N O2 167.09424 7.116 Autoprocessed-2401 5-Hydroxyindole-3-acetic acid Positive C10 H9 N O3 191.05783 6.097 Reference-256 6-Methylquinoline Positive C10 H9 N 143.07331 6.772 HMDB0033115 91-62-3 6792 7059 Reference-2933 7-Methylguanine Positive C6 H7 N5 O 165.06479 4.478 HMDB0000897 578-76-7 10883 C02242 11361 Reference-276 7-Methylxanthine Negative C6 H6 N4 O2 166.04911 3.16 HMDB0001991 552-62-5 61660 C16353 68374 Reference-277 8,11,14-Eicosatrienoic acid Negative C20 H34 O2 306.25607 1.254 HMDB0002925 1783-84-2 4444199 C03242 5280581 8-Hydroxyquinoline Positive C9 H7 N O 145.05256 6.771 Reference-2633 9-Methyluric acid Negative C6 H6 N4 O3 182.04412 5.069 HMDB0001973 55441-71-9 97755 108714 Reference-279 9-Oxo-10(E),12(E)-octadecadienoic acid Positive C18 H30 O3 294.2187 1.254 Reference-5838 Acetophenone Positive C8 H8 O 120.05733 7.635 HMDB0033910 98-86-2 7132 C07113 7410 Reference-2744 Acrylic acid Negative C3 H4 O2 72.02123 8.525 HMDB0031647 79-10-7 6333 C00511 6581 Reference-2696 Adenosine Positive C10 H13 N5 O4 267.09576 3.82 HMDB0000050 58-61-7 54923 C00212 60961 Reference-297 Adenosine monophosphate Positive C10 H14 N5 O7 P 347.06158 8.555 HMDB0000045 61-19-8 5858 C00020 6083 Adenosine triphosphate Positive C10 H16 N5 O13 P3 506.99421 10.223 HMDB0000538 56-65-5 5742 C00002 5957 ADP Positive C10 H15 N5 O10 P2 427.02804 9.567 HMDB0001341 58-64-0 5800 C00008 6022 Adrenic acid Negative C22 H36 O2 332.27179 1.244 HMDB0002226 28874-58-0 4593749 C16527 5497181 Allantoin Negative C4 H6 N4 O3 158.04405 7.793 HMDB0000462 97-59-6 199 C01551 204 Alpha-Linolenic acid Positive C18 H30 O2 278.22393 1.183 HMDB0001388 463-40-1 4444437 C06427 5280934 Aminoadipic acid Positive C6 H11 N O4 161.06855 9.14 HMDB0000510 542-32-5 456 C00956 469 Arachidic Acid Negative C20 H40 O2 312.30313 1.303 HMDB0002212 506-30-9 10035 C06425 10467 Arachidonic acid Negative C20 H32 O2 304.2404 1.258 HMDB0001043 506-32-1 392692 C00219 444899 Reference-2742 Argininosuccinic acid Positive C10 H18 N4 O6 290.1217 10.229 HMDB0000052 2387-71-5 16059 C03406 16950 Reference-324 Ascorbic acid Negative C6 H8 O6 176.03217 9.179 HMDB0000044 50-81-7 10189562 C00072 54670067 Reference-325 Benzoic acid Negative C7 H6 O2 122.03677 1.77 HMDB0001870 65-85-0 238 C00180 243 Reference-332 Betaine Positive C5 H11 N O2 117.07876 5.863 HMDB0000043 107-43-7 242 C00719 247 Reference-894 Bilirubin Positive C33 H36 N4 O6 584.26189 1.49 HMDB0000054 635-65-4 4444055 C00486 5280352 Reference-334 Caffeine Positive C8 H10 N4 O2 194.08016 1.971 HMDB0001847 58-08-2 2424 C07481 2519 Reference-338 Capric acid Negative C10 H20 O2 172.14643 1.36 HMDB0000511 334-48-5 2863 C01571 2969 Choline Positive C5 H13 N O 103.09953 11.116 HMDB0000097 62-49-7 299 C00114 305 Reference-886 cis-Aconitic acid Negative C6 H6 O6 174.01645 10.767 HMDB0000072 585-84-2 558863 C00417 643757 Reference-1525 Citraconic Acid Negative C5 H6 O4 130.02668 3.039 HMDB0000634 498-23-7 553689 C02226 643798 Reference-351 Citral Positive C10 H16 O 152.11983 1.206 Reference-6586 Citric acid Negative C6 H8 O7 192.02705 10.997 HMDB0000094 77-92-9 305 C00158 311 Reference-352 Citrulline Positive C6 H13 N3 O3 175.09542 9.387 HMDB0000904 372-75-8 9367 C00327 9750 Cotinine Positive C10 H12 N2 O 176.09471 1.772 HMDB0001046 486-56-6 395 408 Reference-355 Coumarin Positive C9 H6 O2 146.03653 7.636 HMDB0001218 91-64-5 13848793 C05851 323 Reference-356 Creatine Positive C4 H9 N3 O2 131.06922 8.618 HMDB0000064 57-00-1 566 C00300 586 Reference-357 Creatinine Positive C4 H7 N3 O 113.05872 4.149 HMDB0000562 60-27-5 568 C00791 588 Reference-13 Crotonic acid Negative C4 H6 O2 86.03685 8.523 Reference-2732 D-(-)-Mannitol Negative C6 H14 O6 182.0791 7.943 Reference-1527 D-(-)-Quinic acid Negative C7 H12 O6 192.0635 7.27 Reference-367 D-2-Hydroxyglutaric acid Negative C5 H8 O5 148.03723 9.457 HMDB0000606 13095-47-1 388508 C01087 439391 Decanoylcarnitine Positive C17 H33 N O4 315.24009 1.786 HMDB0000651 1492-27-9 8420677 10245190 Reference-882 Deoxycholic acid Negative C24 H40 O4 392.29322 1.592 HMDB0000626 83-44-3 193196 C04483 222528 Reference-388 D-Erythro-sphingosine 1-phosphate Positive C18 H38 N O5 P 379.24726 2.8 Reference-1213 D-Fructose Negative C6 H12 O6 180.06352 7.363 HMDB0000660 53188-23-1 388775 C02336 439709 D-Glucose Negative C6 H12 O6 180.0635 8.509 HMDB0000122 50-99-7 5589 C00031 5793 Diaminopimelic acid Positive C7 H14 N2 O4 190.09504 8.346 HMDB0001370 583-93-7 388416 C00666 439283 Reference-1184 Dimethylglycine Positive C4 H9 N O2 103.06319 6.717 HMDB0000092 1118-68-9 653 C01026 673 DL-3-Aminoisobutyric acid Negative C4 H9 N O2 103.06341 7.86 Reference-405 DL-4-Hydroxyphenyllactic acid Negative C9 H10 O4 182.05799 3.703 Reference-312 DL-Stachydrine Positive C7 H13 N O2 143.0944 5.161 Reference-837 DL-α-Aminocaprylic acid Positive C8 H17 N O2 159.12553 3.683 Reference-1794 D-Mannose Negative C6 H12 O6 180.06352 8.057 HMDB0000169 3458-28-4 17893 C00159 18950 Docosahexaenoic Acid Negative C22 H32 O2 328.2405 1.249 HMDB0002183 6217-54-5 393183 C06429 445580 Docosapentaenoic Acid Negative C22 H34 O2 330.25622 1.25 Dodecanedioic acid Negative C12 H22 O4 230.15188 2.849 HMDB0000623 693-23-2 12213 C02678 12736 Reference-1182 Dodecanoic acid Negative C12 H24 O2 200.17776 1.319 HMDB0000638 143-07-7 3756 C02679 3893 D-Ribono-1,4-lactone Negative C5 H8 O5 148.03723 8.985 Reference-371 D-Ribose 5-phosphate Negative C5 H11 O8 P 230.01932 9.345 HMDB0001548 3615-55-2 388313 C00117 439167 Reference-1222 D-Saccharic acid Negative C6 H10 O8 210.03774 10.366 Reference-1498 D-δ-Tocopherol Positive C27 H46 O2 402.34857 1.202 Reference-1212 Ecgonine Positive C9 H15 N O3 185.10481 6.039 HMDB0006548 481-37-8 391305 C10858 443003 Reference-2066 Eicosapentaenoic Acid Negative C20 H30 O2 302.22481 1.268 HMDB0001999 10417-94-4 393682 C06428 446284 Ethylmalonic acid Negative C5 H8 O4 132.04232 2.796 HMDB0000622 601-75-2 11263 11756 Reference-1188 Gamma-Aminobutyric acid Negative C4 H9 N O2 103.0634 8.842 HMDB0000112 56-12-2 116 C00334 119 Gluconic acid Negative C6 H12 O7 196.05837 8.251 HMDB0000625 526-95-4 10240 C00257 10690 Reference-1226 Glycerol 3-phosphate Negative C3 H9 O6 P 172.01381 9.255 HMDB0000126 57-03-4 388308 C00093 439162 Reference-1489 Glycerophospho-N-palmitoyl ethanolamine Negative C21 H44 N O7 P 453.28623 1.653 Reference-2955 Glycine Positive C2 H5 N O2 75.03191 9.218 HMDB0000123 56-40-6 730 C00037 750 Reference-2524 Glycocholic acid Negative C26 H43 N O6 465.30981 2.754 HMDB0000138 475-31-0 24747221 C01921 23617285 Reference-429 Glycolic acid Negative C2 H4 O3 76.01609 2.145 HMDB0000115 79-14-1 737 C00160 757 Reference-2713 Glycoursodeoxycholic acid Negative C26 H43 N O5 449.31482 1.56 HMDB0000708 64480-66-6 19973534 12310288 Reference-1293 Glycylproline Negative C7 H12 N2 O3 172.08489 3.066 HMDB0000721 704-15-4 71432 79101 Reference-432 Glyoxylic acid Negative C2 H2 O3 74.00049 8.53 HMDB0000119 298-12-4 740 C00048 760 Reference-2703 Guvacoline Positive C7 H11 N O2 141.07883 2.962 Reference-6135 Heavy Arginine Positive [13]C6 H14 [15]N4 O2 184.11967 13.824 Heavy Aspartic Acid Positive [13]C4 H7 [15]N O4 138.04767 9.144 Heavy Cystine Negative [13]C6 H12 [15]N2 O4 S2 248.03821 9.503 Heavy Glutamate Positive [13]C5 H9 [15]N O4 153.06664 8.902 Heavy Histidine Positive [13]C6 H9 [15]N3 O2 164.08041 8.521 Heavy Lysine Positive [13]C6 H14 [15]N2 O2 154.11947 13.361 Heavy Methionine Positive [13]C5 H11 [15]N O2 S 155.06458 6.44 Heavy N-Acetylaspartic acid Negative C2 [13]C4 H9 N O5 179.06155 9.114 Heavy Oxoglutaric acid Negative [13]C5 H6 O5 151.03828 9.594 Heavy Phenylalanine Positive [13]C9 H11 [15]N O2 175.10587 5.107 Heavy Proline Positive [13]C5 H9 [15]N O2 121.07678 7.24 Heavy Serine Positive [13]C3 H7 [15]N O3 109.04959 9.218 Heavy Taurine Negative [13]C2 H7 N O3 S 127.02136 8.449 Heavy Threonine Positive [13]C4 H9 [15]N O3 124.06854 8.285 Heavy Tyrosine Positive [13]C9 H11 [15]N O3 191.10072 7.638 Heavy Tyrosine_2 Positive C7 [13]C2 H11 N O3 183.08025 7.622 Heavy Valine Positive [13]C5 H11 [15]N O2 123.09256 6.994 Heavy Xanthine Negative C5 H4 N2 [15]N2 O2 154.02755 6.223 Hexadecanamide Positive C16 H33 N O 255.25559 1.476 Reference-438 Hexanoylcarnitine Positive C13 H25 N O4 259.17756 2.874 HMDB0000705 6418-78-6 4932273 6426853 Reference-883 Hippuric acid Negative C9 H9 N O3 179.05833 2.731 HMDB0000714 495-69-2 451 C01586 464 Reference-439 Hydroxyisocaproic acid Negative C6 H12 O3 132.07865 1.746 HMDB0000746 13748-90-8 75520 83697 Hypoxanthine Positive C5 H4 N4 O 136.03834 4.974 HMDB0000157 68-94-0 768 C00262 790 Reference-441 Imidazolelactic acid Negative C6 H8 N2 O3 156.05356 5.788 HMDB0002320 876-19-7 404046 C05132 459122 Reference-443 Indole-3-acetic acid Positive C10 H9 N O2 175.06304 3.46 Reference-445 Indole-3-lactic acid Negative C11 H11 N O3 205.07399 2.905 Reference-450 Indole-3-pyruvic acid Negative C11 H9 N O3 203.05842 2.768 Reference-448 Inosine Positive C10 H12 N4 O5 268.07982 6.173 HMDB0000195 58-63-9 5799 C00294 6021 Reference-1234 Isoquinoline Positive C9 H7 N 129.05762 6.798 HMDB0034244 119-65-3 8098 C06323 8405 Autoprocessed-4078 Jasmone Positive C11 H16 O 164.11982 1.203 Autoprocessed-4062 L-Acetylcarnitine Positive C9 H17 N O4 203.1154 5.846 HMDB0000201 3040-38-8 21243783 C02571 1 L-Alanine Positive C3 H7 N O2 89.04756 8.603 HMDB0000161 56-41-7 5735 C00041 5950 L-Arginine Positive C6 H14 N4 O2 174.1114 13.785 HMDB0000517 74-79-3 6082 C00062 6322 L-Ascorbic acid 2-sulfate Negative C6 H8 O9 S 255.98917 12.792 Reference-1310 L-Asparagine Positive C4 H8 N2 O3 132.05332 8.983 HMDB0000168 70-47-3 6031 C00152 6267 L-Aspartic acid Positive C4 H7 N O4 133.03735 9.162 HMDB0000191 56-84-8 5745 C00049 5960 Reference-462 L-Carnitine Positive C7 H15 N O3 161.10486 7.541 HMDB0000062 541-15-1 2006614 C00318 2724480 L-Cysteine-S-sulfate Negative C3 H7 N O5 S2 200.97671 9.807 Reference-465 L-Cystine Negative C6 H12 N2 O4 S2 240.02404 9.487 HMDB0000192 56-89-3 60997 C00491 67678 Reference-467 L-Ergothioneine Positive C9 H15 N3 O2 S 229.08782 8.567 Reference-907 L-Glutamic acid Positive C5 H9 N O4 147.05287 8.922 HMDB0000148 56-86-0 30572 C00025 33032 Reference-470 L-Glutamine Positive C5 H10 N2 O3 146.06891 8.867 HMDB0000641 56-85-9 5746 C00064 5961 Reference-1827 L-Histidine Positive C6 H9 N3 O2 155.06922 8.514 HMDB0000177 71-00-1 6038 C00135 6274 Reference-473 Linoleic Acid Positive C18 H32 O2 280.23951 1.445 HMDB0000673 60-33-3 4444105 C01595 5280450 Reference-2706 L-Isoleucine Positive C6 H13 N O2 131.09444 6.212 HMDB0000172 73-32-5 6067 C00407 6306 Reference-2244 L-Kynurenine Positive C10 H12 N2 O3 208.08438 6.103 HMDB0000684 2922-83-0 141580 C00328 161166 Reference-478 L-Lactic acid Negative C3 H6 O3 90.03174 3.54 HMDB0000190 79-33-4 96860 C00186 107689 L-Leucine Positive C6 H13 N O2 131.09443 5.858 HMDB0000687 61-90-5 5880 C00123 6106 L-Lysine Positive C6 H14 N2 O2 146.10531 13.329 HMDB0000182 56-87-1 5747 C00047 5962 Reference-3399 L-Methionine Positive C5 H11 N O2 S 149.05087 6.425 HMDB0000696 63-68-3 5907 C00073 6137 L-Phenylalanine Positive C9 H11 N O2 165.07871 5.076 HMDB0000159 63-91-2 5910 C00079 6140 Reference-8 L-Proline Positive C5 H9 N O2 115.0631 7.234 HMDB0000162 147-85-3 128566 C00148 145742 L-Serine Positive C3 H7 N O3 105.04249 9.216 HMDB0000187 56-45-1 5736 C00065 5951 Reference-480 L-Threonine Positive C4 H9 N O3 119.05809 8.274 HMDB0000167 72-19-5 6051 C00188 6288 Reference-1826 L-Tryptophan Positive C11 H12 N2 O2 204.08958 6.772 HMDB0000929 73-22-3 6066 C00078 6305 Reference-1830 L-Tyrosine Positive C9 H11 N O3 181.07363 7.631 HMDB0000158 60-18-4 5833 C00082 6057 Reference-2255 L-Valine Positive C5 H11 N O2 117.07877 7.032 HMDB0000883 72-18-4 6050 C00183 6287 Reference-2570 Malic acid Negative C4 H6 O5 134.02159 9.907 HMDB0000744 6915-15-7 510 C00711 525 Malonic acid Negative C3 H4 O4 104.01104 8.433 HMDB0000691 141-82-2 844 C00383 867 Reference-1319 Methionine sulfoxide Positive C5 H11 N O3 S 165.04573 7.696 HMDB0002005 62697-73-8 824 847 Reference-487 Methyl indole-3-acetate Negative C11 H11 N O2 189.07908 2.776 Reference-489 Methylcysteine Positive C4 H9 N O2 S 135.0353 6.466 HMDB0002108 1187-84-4 22826 24417 Methylimidazoleacetic acid Positive C6 H8 N2 O2 140.0583 3.896 HMDB0002820 2625-49-2 68319 C05828 75810 Reference-491 Myo-inositol Negative C6 H12 O6 180.0635 9.907 HMDB0000211 87-89-8 10239179 C00137 Myristic Acid Negative C14 H28 O2 228.20915 1.291 HMDB0000806 544-63-8 10539 C06424 11005 N-(2-hydroxyphenyl)acetamide Positive C8 H9 N O2 151.06311 6.84 Autoprocessed-2388 N2-Methylguanosine Negative C11 H15 N5 O5 297.10696 1.652 Reference-163 N6,N6,N6-Trimethyl-L-lysine Positive C9 H20 N2 O2 188.15219 12.012 HMDB0001325 19253-88-4 389120 C03793 440120 Reference-909 N6-Acetyl-L-lysine Positive C8 H16 N2 O3 188.11566 7.474 HMDB0000206 692-04-6 83801 C02727 92832 Reference-501 N-Acetylglutamic acid Negative C7 H11 N O5 189.06381 8.77 HMDB0001138 1188-37-0 180 C00624 185 N-Acetyl-L-alanine Negative C5 H9 N O3 131.05824 3.057 HMDB0000766 97-69-8 79449 88064 N-Acetyl-L-aspartic acid Negative C6 H9 N O5 175.04815 9.116 HMDB0000812 997-55-7 58576 C01042 65065 N-Acetylornithine Positive C7 H14 N2 O3 174.10022 7.873 HMDB0003357 6205-08-9 388369 C00437 439232 Reference-513 N-Benzylformamide Positive C8 H9 N O 135.06827 7.631 Reference-817 Nicotinamide 1-oxide Positive C6 H6 N2 O2 138.04265 3.727 Reference-912 N-Phenylacetylglutamine Positive C13 H16 N2 O4 264.11032 1.797 Reference-541 Oleamide Positive C18 H35 N O 281.27122 1.462 HMDB0002117 301-02-0 4446508 C19670 5283387 Reference-530 Oleic Acid Negative C18 H34 O2 282.25601 1.257 HMDB0000207 112-80-1 393217 C00712 445639 Reference-10 Oleoyl-L-α-lysophosphatidic acid Negative C21 H41 O7 P 436.25944 1.677 Reference-1474 Ornithine Positive C5 H12 N2 O2 132.08969 12.504 HMDB0000214 3184-13-2 6026 C00077 6262 Reference-531 Orotic acid Negative C5 H4 N2 O4 156.01719 4.453 HMDB0000226 65-86-1 942 C00295 967 Reference-532 Oxoamide Positive C10 H12 N2 O2 192.08962 1.8 HMDB0001004 713-05-3 423 436 Reference-522 Oxoglutaric acid Negative C5 H6 O5 146.02157 9.589 HMDB0000208 328-50-7 50 C00026 51 Palmitic Acid Negative C16 H32 O2 256.24049 1.275 HMDB0000220 57-10-3 960 C00249 985 Palmitoyl sphingomyelin Positive C39 H79 N2 O6 P 702.56558 1.422 HMDB0061712 Reference-4865 Pantothenic acid Negative C9 H17 N O5 219.11075 3.175 HMDB0000210 79-83-4 963 C00864 988 Reference-536 Paraxanthine Positive C7 H8 N4 O2 180.06434 5.272 HMDB0001860 611-59-6 4525 C13747 4687 Reference-5 Pentadecanoic acid Negative C15 H30 O2 242.22483 1.281 HMDB0000826 1002-84-2 13249 C16537 13849 Reference-3102 Phenol Negative C6 H6 O 94.04197 1.725 HMDB0000228 108-95-2 971 C00146 996 Reference-3052 Pipecolic acid Positive C6 H11 N O2 129.07883 7.012 HMDB0000070 535-75-1 826 C00408 849 Reference-548 Piperine Positive C17 H19 N O3 285.13566 1.566 HMDB0029377 94-62-2 553590 C03882 638024 Reference-969 Propionylcarnitine Positive C10 H19 N O4 217.13094 4.513 HMDB0000824 17298-37-2 96904 C03017 107738 Reference-884 Pseudoephedrine Positive C10 H15 N O 165.11512 8.071 HMDB0001943 90-82-4 6761 C02765 7028 Reference-2334 Pseudouridine Negative C9 H12 N2 O6 244.06964 6.847 HMDB0000767 1445-07-4 14319 C02067 15047 Reference-333 Pyridoxine Negative C8 H11 N O3 169.07396 2.737 HMDB0000239 65-23-6 1025 C00314 1054 Reference-570 Pyroglutamic acid Negative C5 H7 N O3 129.04264 4.611 HMDB0000267 98-79-3 7127 C01879 7405 Pyruvic acid Negative C3 H4 O3 88.01613 2.819 HMDB0000243 127-17-3 1031 C00022 1060 Reference-1264 Quinolinic acid Negative C7 H5 N O4 167.02194 9.36 HMDB0000232 89-00-9 1037 C03722 1066 Reference-1262 Salicylic acid Negative C7 H6 O3 138.03172 1.725 HMDB0001895 69-72-7 331 C00805 338 Reference-643 Sarcosine Positive C3 H7 N O2 89.04756 8.117 HMDB0000271 107-97-1 1057 C00213 1088 Shikimic acid Negative C7 H10 O5 174.05285 8.129 HMDB0003070 138-59-0 8412 C00493 8742 Skatole Positive C9 H9 N 131.07331 6.772 Reference-215 Sorbic acid Negative C6 H8 O2 112.05252 1.78 Reference-2754 Stearic Acid Negative C18 H36 O2 284.27163 1.366 HMDB0000827 57-11-4 5091 C01530 5281 Stearidonic Acid Positive C18 H28 O2 276.20825 1.216 HMDB0006547 20290-75-9 4471933 C16300 5312508 Succinic acid Negative C4 H6 O4 118.02669 9.35 HMDB0000254 110-15-6 1078 C00042 1110 Reference-1395 Symmetric dimethylarginine Positive C8 H18 N4 O2 202.14273 11.714 HMDB0003334 30344-00-4 147942 169148 Taurine Negative C2 H7 N O3 S 125.01465 8.431 HMDB0000251 107-35-7 1091 C00245 1123 Reference-654 Taurochenodeoxycholic acid Negative C26 H45 N O6 S 499.2977 1.419 Reference-1398 Tenofovir Positive C9 H14 N5 O4 P 287.07756 6.588 HMDB0014445 147127-20-6 408154 464205 Reference-3455 Testosterone sulfate Negative C19 H28 O5 S 368.16606 1.255 HMDB0002833 651-45-6 106493 119207 Reference-7220 trans-Cinnamic acid Negative C9 H8 O2 148.0525 5.062 HMDB0000930 140-10-3 392447 C00423 444539 Reference-1403 Trigonelline Positive C7 H7 N O2 137.04747 6.376 HMDB0000875 535-83-1 5369 C01004 5570 Reference-806 Trimethylamine N-oxide Positive C3 H9 N O 75.06826 5.193 HMDB0000925 1184-78-7 1113 C01104 1145 Uric acid Negative C5 H4 N4 O3 168.02833 7.471 HMDB0000289 69-93-2 1142 C00366 1175 Reference-753 Uridine Negative C9 H12 N2 O6 244.06962 4.701 HMDB0000296 58-96-8 5807 C00299 6029 Reference-1408 Vanillin Negative C8 H8 O3 152.04736 1.786 HMDB0012308 121-33-5 13860434 C00755 1183 Reference-2529 Xanthine Negative C5 H4 N4 O2 152.03346 6.229 HMDB0000292 69-89-6 1151 C00385 1188 Reference-781 β-D-Glucopyranuronic acid Negative C6 H10 O7 194.04275 8.419 Reference-1214 METABOLITES_END #END