#METABOLOMICS WORKBENCH zipik0_20240403_231603 DATATRACK_ID:4756 STUDY_ID:ST003161 ANALYSIS_ID:AN005186 PROJECT_ID:PR001966 VERSION 1 CREATED_ON April 4, 2024, 4:17 am #PROJECT PR:PROJECT_TITLE Diet-omics in the Study of Urban and Rural Crohn disease Evolution (SOURCE) PR:PROJECT_TITLE cohort PR:PROJECT_SUMMARY Crohn disease (CD) burden has increased with globalization/urbanization, and the PR:PROJECT_SUMMARY rapid rise is attributed to environmental changes rather than genetic drift. The PR:PROJECT_SUMMARY Study Of Urban and Rural CD Evolution (SOURCE, n=380) has considered diet-omics PR:PROJECT_SUMMARY domains simultaneously to detect complex interactions and identify potential PR:PROJECT_SUMMARY beneficial and pathogenic factors linked with rural-urban transition and CD. We PR:PROJECT_SUMMARY characterize exposures, diet, ileal transcriptomics, metabolomics, and PR:PROJECT_SUMMARY microbiome in newly diagnosed CD patients and controls in rural and urban China PR:PROJECT_SUMMARY and Israel. We show that time spent by rural residents in urban environments is PR:PROJECT_SUMMARY linked with changes in gut microbial composition and metabolomics, which mirror PR:PROJECT_SUMMARY those seen in CD. Ileal transcriptomics highlights personal metabolic and immune PR:PROJECT_SUMMARY gene expression modules, that are directly linked to potential protective PR:PROJECT_SUMMARY dietary exposures (coffee, manganese, vitamin D), fecal metabolites, and the PR:PROJECT_SUMMARY microbiome. Bacteria-associated metabolites are primarily linked with host PR:PROJECT_SUMMARY immune modules, whereas diet-linked metabolites are associated with host PR:PROJECT_SUMMARY epithelial metabolic functions. PR:INSTITUTE Sheba hospital PR:LAST_NAME Braun PR:FIRST_NAME Tzipi PR:ADDRESS Sheba hospital, Ramat Gan, Ramat Gan, 52621, Israel PR:EMAIL zipik0@gmail.com PR:PHONE 97235305000 #STUDY ST:STUDY_TITLE Diet-omics in the Study of Urban and Rural Crohn disease Evolution (SOURCE) ST:STUDY_TITLE cohort ST:STUDY_SUMMARY Crohn disease (CD) burden has increased with globalization/urbanization, and the ST:STUDY_SUMMARY rapid rise is attributed to environmental changes rather than genetic drift. The ST:STUDY_SUMMARY Study Of Urban and Rural CD Evolution (SOURCE, n=380) has considered diet-omics ST:STUDY_SUMMARY domains simultaneously to detect complex interactions and identify potential ST:STUDY_SUMMARY beneficial and pathogenic factors linked with rural-urban transition and CD. We ST:STUDY_SUMMARY characterize exposures, diet, ileal transcriptomics, metabolomics, and ST:STUDY_SUMMARY microbiome in newly diagnosed CD patients and controls in rural and urban China ST:STUDY_SUMMARY and Israel. We show that time spent by rural residents in urban environments is ST:STUDY_SUMMARY linked with changes in gut microbial composition and metabolomics, which mirror ST:STUDY_SUMMARY those seen in CD. Ileal transcriptomics highlights personal metabolic and immune ST:STUDY_SUMMARY gene expression modules, that are directly linked to potential protective ST:STUDY_SUMMARY dietary exposures (coffee, manganese, vitamin D), fecal metabolites, and the ST:STUDY_SUMMARY microbiome. Bacteria-associated metabolites are primarily linked with host ST:STUDY_SUMMARY immune modules, whereas diet-linked metabolites are associated with host ST:STUDY_SUMMARY epithelial metabolic functions. ST:INSTITUTE Sheba hospital ST:LAST_NAME Braun ST:FIRST_NAME Tzipi ST:ADDRESS Sheba hospital, Ramat Gan, Ramat Gan, 52621, Israel ST:EMAIL zipik0@gmail.com ST:PHONE 97235305000 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 SU:GENDER Male and female #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 A002 001_FC_S002_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=001_FC_S002_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A004 002_FC_S004_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=002_FC_S004_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A006 003_FC_S006_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=003_FC_S006_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A007 004_FC_S007_SOURCE_Female_CD Sample source:Feces | Gender:Female | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=004_FC_S007_SOURCE_Female_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A011 005_FC_S011_SOURCE_Female_CD Sample source:Feces | Gender:Female | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=005_FC_S011_SOURCE_Female_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A012 006_FC_S012_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=006_FC_S012_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A014 007_FC_S014_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=007_FC_S014_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A015 008_FC_S015_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=008_FC_S015_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A016 009_FC_S016_SOURCE_Female_CD Sample source:Feces | Gender:Female | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=009_FC_S016_SOURCE_Female_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A018 010_FC_S018_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=010_FC_S018_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A020 011_FC_S020_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=011_FC_S020_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A022 012_FC_S022_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=012_FC_S022_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A024 013_FC_S024_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=013_FC_S024_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A025 014_FC_S025_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=014_FC_S025_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A026 015_FC_S026_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=015_FC_S026_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A028 016_FC_S028_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=016_FC_S028_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A030 017_FC_S030_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=017_FC_S030_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A031 018_FC_S031_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=018_FC_S031_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A032 019_FC_S032_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=019_FC_S032_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A033 020_FC_S033_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=020_FC_S033_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A035 021_FC_S035_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=021_FC_S035_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A036 022_FC_S036_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=022_FC_S036_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A040 023_FC_S040_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=023_FC_S040_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A041 024_FC_S041_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=024_FC_S041_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A042 025_FC_S042_SOURCE_Female_CD Sample source:Feces | Gender:Female | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=025_FC_S042_SOURCE_Female_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A044 026_FC_S044_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=026_FC_S044_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A045 027_FC_S045_SOURCE_Female_CD Sample source:Feces | Gender:Female | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=027_FC_S045_SOURCE_Female_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A047 028_FC_S047_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=028_FC_S047_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A050 029_FC_S050_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=029_FC_S050_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A051 030_FC_S051_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=030_FC_S051_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A052 031_FC_S052_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=031_FC_S052_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A056 032_FC_S056_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=032_FC_S056_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A057 033_FC_S057_SOURCE_Male_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=033_FC_S057_SOURCE_Male_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A060 034_FC_S060_SOURCE_Male_CD Sample source:Feces | Gender:Male | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=034_FC_S060_SOURCE_Male_CD.mzML.gz SUBJECT_SAMPLE_FACTORS A061 035_FC_S061_SOURCE_Female_Control Sample source:Feces | Gender:Female | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=035_FC_S061_SOURCE_Female_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A062 036_FC_S062_SOURCE_Control Sample source:Feces | Gender:Male | Diagnosis:Control Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=036_FC_S062_SOURCE_Control.mzML.gz SUBJECT_SAMPLE_FACTORS A063 037_FC_S063_SOURCE_Female_CD Sample source:Feces | Gender:Female | Diagnosis:CD Organism=homo sapiens; RAW_FILE_NAME(Raw file name)=037_FC_S063_SOURCE_Female_CD.mzML.gz #COLLECTION CO:COLLECTION_SUMMARY Extraction solution (ES: 75% methanol and 25% water and six internal standards) CO:COLLECTION_SUMMARY was mixed with fecal smear, sonicated for 10 min, centrifuged at 14,000g for CO:COLLECTION_SUMMARY 10 min at 4 °C, and stored at -80c until submission for LC-MS metabolomics CO:COLLECTION_SUMMARY analysis CO:SAMPLE_TYPE Feces #TREATMENT TR:TREATMENT_SUMMARY Extraction solution (ES: 75% methanol and 25% water and six internal standards) TR:TREATMENT_SUMMARY was mixed with fecal smear, sonicated for 10 min, centrifuged at 14,000g for TR:TREATMENT_SUMMARY 10 min at 4 °C, and stored at -80c until submission for LC-MS metabolomics TR:TREATMENT_SUMMARY analysis #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Orbitrap Q-Exactive Mass Spectrometer (Thermo Fisher Scientific) was used. The SP:SAMPLEPREP_SUMMARY resolution was set to 35,000 at a 200 mass/charge ratio (m/z) with electrospray SP:SAMPLEPREP_SUMMARY ionization and polarity switching mode to enable both positive and negative ions SP:SAMPLEPREP_SUMMARY across a mass range of 67–1000 m/z. The UPLC setup consisted of ZIC-pHILIC SP:SAMPLEPREP_SUMMARY column (SeQuant; 150 mm × 2.1 mm, 5 μm; Merck). Stool extracts were SP:SAMPLEPREP_SUMMARY injected, and the compounds were separated with mobile phase gradient, starting SP:SAMPLEPREP_SUMMARY at 20% aqueous (20 mM ammonium carbonate adjusted to pH 9.2 with 0.1% of 25% SP:SAMPLEPREP_SUMMARY ammonium hydroxide) and 80% organic (acetonitrile) and terminated with 20% SP:SAMPLEPREP_SUMMARY acetonitrile. Flow rate and column temperature were maintained at 0.2 ml/min SP:SAMPLEPREP_SUMMARY and 45 °C, respectively, for a total run time of 27 min. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Orbitrap Q-Exactive CH:COLUMN_NAME Thermo Orbitrap Q-Exactive CH:SOLVENT_A ammonium carbonate CH:SOLVENT_B acetonitrile CH:FLOW_GRADIENT mobile phase gradient CH:FLOW_RATE 0.2 ml/min CH:COLUMN_TEMPERATURE 45 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE Other MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS The raw data files generated by UPLC-MS/MS were processed using the MassLynx MS:MS_COMMENTS software (v4.1, Waters, Milford, MA, USA) to perform peak integration, MS:MS_COMMENTS calibration, and quantitation for each metabolite. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS TSS normalized values MS_METABOLITE_DATA_START Samples 001_FC_S002_SOURCE_Female_Control 002_FC_S004_SOURCE_Female_Control 003_FC_S006_SOURCE_Male_Control 004_FC_S007_SOURCE_Female_CD 005_FC_S011_SOURCE_Female_CD 006_FC_S012_SOURCE_Male_Control 007_FC_S014_SOURCE_Female_Control 008_FC_S015_SOURCE_Male_Control 009_FC_S016_SOURCE_Female_CD 010_FC_S018_SOURCE_Female_Control 011_FC_S020_SOURCE_Male_CD 012_FC_S022_SOURCE_Female_Control 013_FC_S024_SOURCE_Male_CD 014_FC_S025_SOURCE_Male_CD 015_FC_S026_SOURCE_Male_Control 016_FC_S028_SOURCE_Female_Control 017_FC_S030_SOURCE_Female_Control 018_FC_S031_SOURCE_Male_Control 019_FC_S032_SOURCE_Female_Control 020_FC_S033_SOURCE_Male_CD 021_FC_S035_SOURCE_Male_CD 022_FC_S036_SOURCE_Male_CD 023_FC_S040_SOURCE_Male_CD 024_FC_S041_SOURCE_Male_Control 025_FC_S042_SOURCE_Female_CD 026_FC_S044_SOURCE_Male_Control 027_FC_S045_SOURCE_Female_CD 028_FC_S047_SOURCE_Female_Control 029_FC_S050_SOURCE_Female_Control 030_FC_S051_SOURCE_Male_Control 031_FC_S052_SOURCE_Male_CD 032_FC_S056_SOURCE_Male_CD 033_FC_S057_SOURCE_Male_Control 034_FC_S060_SOURCE_Male_CD 035_FC_S061_SOURCE_Female_Control 036_FC_S062_SOURCE_Control 037_FC_S063_SOURCE_Female_CD Factors Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:CD Sample source:Feces | Gender:Female | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:CD Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:CD Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:CD Sample source:Feces | Gender:Female | Diagnosis:Control Sample source:Feces | Gender:Male | Diagnosis:Control Sample source:Feces | Gender:Female | Diagnosis:CD 1-Aminocyclopropanecarboxylate 0.003055112 0.004323399 0.008658629 0.009868514 0.007821688 0.005412199 0.004186461 0.004482548 0.009122409 0.00535824 0.006963489 0.005914689 0.003501411 0.003869796 0.00212467 0.007180265 0.006099897 0.00556623 0.006090341 0.002715095 0.007108524 0.006238064 0.010153693 0.007197852 0.01041556 0.006074102 0.00554335 0.007721651 0.006202849 0.004728336 0.004702802 0.005004558 0.006141002 0.005435702 0.005818836 0.003975747 0.002834484 1-Methyladenosine 0.004149717 0.006611016 0.010336455 0.005876847 0.045598014 0.006110913 0.008751517 0.021475342 0.008972751 0.003567513 0.010995548 0.005501392 0.003631423 0.007663958 0.004277787 0.008056976 0.006095618 0.00387113 0.005480138 0.004767358 0.00886806 0.011844305 0.009374488 0.006444958 0.015896656 0.568870226 0.008974424 0.006796471 0.002206451 0.00996797 0.005427447 0.006400348 0.005818619 0.003184428 0.003015152 0.014414002 0.003475745 10-HAD 0.03788566 0.029633443 0.02413944 0.034155045 0.01791022 0.042968979 0.025970674 0.032681811 0.025157135 0.093800068 0.017694547 0.017887732 0.03539177 0.016476219 0.020505901 0.02412211 0.049080771 0.070330655 0.039313614 0.022486776 0.05993535 0.014324193 0.012863718 0.008189231 0.016559791 0.031813832 0.008483475 0.046161132 0.039351307 0.028116959 0.014441441 0.027894925 0.015162972 0.019889262 0.057050517 0.04204279 0.016737155 10-Hydroxydecanoic acid 0.011218155 0.014446424 0.002626457 0.023258816 0.001723856 0.018500713 0.020601867 0.014179609 0.011664737 0.04406457 0.009069894 0.015877563 0.016885147 0.007841949 0.012847071 0.018335778 0.029059817 0.037747465 0.021520613 0.009388702 0.012613626 0.00996797 0.007137778 0.001514915 0.009181417 0.016920263 0.005458203 0.023315994 0.022846533 0.009903933 0.012224139 0.016904898 0.016531715 0 0.027486247 0.016275168 0.009956986 13Z,16Z-docosadienoic acid 0.012219951 0 0.010521899 0 0 0 0 0 0 0 0 0 0 0.001727224 0 0 0 0.016121062 0.011423128 0 0.017983043 0 0 0 0 0 0.007226712 0 0 0.025714501 0 0 0 0.00551759 0.047504827 0 0 14-Methylhexadecanoic acid 0.237956584 0.444700801 0.250472866 0.130994011 0.034907014 0.121964801 0.11628935 0.074741355 0.064939291 0.264771281 0.049429746 0.054109725 0.089756878 0.080636203 0.074980173 0.097440115 0.316245563 0.435924311 0.270985144 0.027869528 0.356641415 0.022774262 0.103498857 0.06187845 0.091105226 0.057242237 0.225875715 0.279666189 0.150445726 0.217655052 0.079446174 0.189312412 0.081170614 0.11428152 0.549514789 0.114451001 0.095857752 2 Deoxy D Glucose 0.00556055 0.004314895 0.001460166 0.004738126 0.016567038 0.02700974 0.009010385 0.01566977 0.08262755 0.010979998 0.009409182 0.158479377 0.080381798 0.07931103 0.00357277 0.004948373 0.007376552 0.007972168 0.004288941 0.086762908 0.010421928 0.078139919 0.027969216 0.071495302 0.004856618 0.008093927 0.025321028 0.007177056 0.003359261 0.002339838 0.034391265 0.0306814 0.002995781 0.016950263 0.003475072 0.010062118 0.001354756 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine 0.013306476 0.02743298 0.007795514 0.02841899 0.008138551 0.010442313 0.010311321 0.015994755 0.018826076 0.011307211 0.018601857 0.009509958 0.0093067 0.009151144 0.004731408 0.008227784 0.017066178 0.015910536 0.012457294 0.012883443 0.017423841 0.012773416 0.090141991 0.011250025 0.035559526 0.033335885 0.013872293 0.032582324 0.021943805 0.013597788 0.018879236 0.009552511 0.017506084 0.020111503 0.004941553 0.006057956 0.007786538 2-Aminoisobutyrate 0.160589704 0.151210781 0.189304417 0.130105895 0.162634082 0.608330652 0.052170649 0.361958782 0.154466944 0.29043753 0.407574885 0.051025644 0.154835515 0.273822897 0.136973699 0.07301565 0.104043854 0.152060031 0.085497183 0.451722882 0.130499893 0.108595182 0.697314983 0.127683705 0.166059222 0.202715252 0.042425591 0.119417868 0.150699725 0.068076695 0.290508111 0.463958083 0.067993026 0.517584899 0.099662774 0.153136426 0.033907926 2-Aminophenol 0.010810736 0.011491704 0.004329271 0.006979832 0.001129027 0.01031526 0.006311657 0.005814282 0.006499455 0.052260885 0.001656173 0.003477962 0.006798988 0.004571659 0.003738011 0.004711082 0.023379002 0.026894851 0.007800801 0.002301932 0.012481715 0.001249514 0.00312376 0.001679933 0.005241475 0.012916986 0.00184848 0.020495761 0.015143564 0.003819749 0.001744639 0.006337965 0.005508436 0.003176644 0.022099361 0.039520923 0.003328023 2-Deoxy-D-Glucose 6-phosphate 0 3.58E-04 4.42E-04 0 0.002098611 0.001366732 0.001724471 0.001813121 0 0 5.33E-04 0.00250989 5.55E-04 8.16E-04 8.09E-04 2.07E-04 0 4.56E-04 0 7.64E-04 3.48E-04 0 0.002100595 7.35E-05 0 2.80E-04 0.002494815 4.52E-04 8.02E-04 0.003468476 3.06E-04 2.18E-04 0.001270531 6.85E-04 6.40E-04 7.30E-04 6.78E-04 2-Hydroxy-4-(Methylthio)Butyric Acid 0.003520595 0.006149665 0.00202658 0.00994243 0.040488048 0.038872611 0.009407433 0.019893573 0.076790881 0.029079395 0.038724263 0.003373779 0.007374538 0.00501285 0.002002962 0.002230388 0.026772266 0.010313382 0.007587886 0.032324004 0.005809438 0.019257205 0.024398844 0.089526671 0.040931013 0.003901149 0.001763239 0.018885332 0.003304263 0.004523745 0.001848713 0.01589343 0.003344057 0.025707556 0.00472798 0.002281569 0.00711957 2-hydroxyglutarate 0.019016994 0.012515582 0.013310259 0.016180098 0.008859959 0.017959862 0.028997992 0.010179787 0.017855458 0.039610824 0.014625895 0.011939655 0.026882894 0.008600255 0.015775357 0.011355973 0.039642687 0.028662858 0.026210043 0.016812753 0.030894099 0.028639758 0.015411184 0.025030944 0.015206769 0.010425616 0.004776334 0.02729735 0.019625164 0.006242891 0.008376505 0.0146417 0.016963407 0.009851774 0.027446481 0.019580602 0.014597731 2-Hydroxyhexadecanoic acid 0.494600696 0.326549918 0.307267103 0.598821002 0.125153489 0.169471108 0.196153922 0.120639015 0.200623096 0.483826206 0.10892321 0.13509642 0.374329629 0.256940754 0.150004333 0.215929481 0.222674294 0.690477641 0.497564302 0.180327831 0.255540287 0.061158092 0.138960228 0.081570382 0.081478957 0.085206016 0.126745603 0.680268395 0.185373125 0.426710225 0.125021604 0.30495636 0.203446351 0.376703802 0.431215479 0.191546849 0.19240285 2-Hydroxyisocaproic acid 0.118555451 0.235889495 0.047674617 0.115546656 0.440328584 0.233760817 0.074092124 0.144156582 0.221391798 0.115907453 0.469958796 0.021802725 0.274785772 0.067684041 0.026145288 0.027917847 0.106085177 0.124660935 0.058478901 0.311357015 0.14281864 0.03075703 0.300031669 0.347225814 0.223019835 0.123964347 0.036680017 0.05611195 0.063298842 0.062993393 0.027423186 0.061960159 0.01536028 0.036537262 0.072766649 0.128513019 0.029524723 2-Hydroxypyridine 0.187243819 0.09544987 0.011428379 0.035311773 0.013256432 0.111292387 0.078051505 0.11651993 0.081749549 0.548942691 0.055105394 0.073560211 0.074704541 0.108777868 0.070707027 0.108376455 0.286075686 0.450914595 0.106039713 0.050264627 0.167882628 0.049730845 0.042841737 0.04040252 0.055565761 0.124700886 0.025975476 0.241115916 0.137542839 0.145845581 0.046079764 0.097232604 0.071547695 0.067300217 0.240765455 0.434442291 0.064760922 2-Hydroxytetradecanoic acid 0.024332535 0 0.008187808 0.022826125 0 0 0 0.016135179 0.012508306 0.019455345 0.008347307 0.018590039 0.011780139 0.016486747 0.018349052 0 0.019582917 0.013611367 0.024009674 0 0 0 0.008595132 0 0.008197196 0 0.016679464 0.027519287 0.025847519 0.055485496 0 0 0.008741124 0 0.036456507 0.012409702 0 2-Methylcitrate 0.004176003 0.004784273 0.004421064 0.003040546 0.019437008 0.002983533 0.002199547 0.012085571 0.001847618 0.006656017 8.97E-04 0.009640218 0.016593711 0.001694346 0.003103118 0.00279484 0.003371686 0.004891755 0.002159269 0.002578959 0.004275759 0.001528453 0.002213643 0.002469315 0.014701734 0.010692503 0.010830517 0.003499666 0.001880049 0.009737912 0.001857624 0.005221467 0.003916801 0.006379189 0.002780977 0.004590627 0.004909287 2-Methylmaleate 0.071083533 0.066058111 0.005393032 0.058734911 0.024961031 0.072359034 0.084662694 0.07857952 0.061818179 0.121161196 0.033011002 0.069844241 0.107459527 0.031603537 0.036697453 0.051591054 0.110281516 0.18939046 0.072133143 0.034855192 0.118189943 0.027237976 0.027106372 0.026287436 0.030943538 0.068128798 0.021528095 0.104267639 0.067748994 0.059620939 0.034181931 0.060381591 0.0383098 0.05998509 0.102202395 0.058306481 0.041368642 2-Phosphoglycerate 0.00188848 0.001280969 0.001157105 0.001414713 1.39E-04 0.003024776 0.009575412 0.001629295 0 0.005095348 4.34E-04 7.96E-04 0.001349899 3.19E-04 8.96E-04 0 0 5.65E-04 0 5.11E-04 0 0 8.49E-05 0 0 0 9.34E-04 5.69E-04 8.08E-04 0.004967908 0 5.18E-04 4.67E-04 4.98E-04 6.91E-04 8.45E-04 3.14E-04 2,3-Dihydroxybenzoate 0.014301552 0.019083804 0.032513433 0.212545039 0.006755454 0.057902964 0.022736392 0.057878353 0.023044645 0.030768296 0.008507518 0.022198204 0.035472723 0.032042182 0.026335599 0.016357382 0.030090854 0.034056958 0.042235428 0.075504707 0.031048113 0.095345509 0.00718032 0.010275321 0.00598693 0.225911547 0.010349417 0.062533744 0.020227134 0.012239724 0.042021681 0.012716802 0.045459486 0.026639798 0.023769053 0.010583765 0.016725294 2,4-Dihydroxypteridine 0.010812833 0.008548504 0 0.005450674 0.001927642 0.003204331 0.001899185 0.001705604 0.001428335 0.009238217 8.84E-04 0.001532814 0.00239954 0.001037898 6.91E-04 0.001312948 0.003750806 0.006697865 0.001924404 5.54E-04 0.003867353 4.89E-04 6.09E-04 6.24E-04 0.001901082 0.003940503 6.77E-04 0.006529336 0.001474747 0.001696233 5.77E-04 0.002180249 9.98E-04 0.00210108 0.006113009 0.005624461 0.001798159 2,6-Dihydroxypyridine 0.285341298 0.127356809 0.017998527 0.037656417 0.020646529 0.130338618 0.048057962 0.077527557 0.076368325 0.700727666 0.047537303 0.029797203 0.083935262 0.065512491 0.035855162 0.073315001 0.170560531 0.292994947 0.070682518 0.024579214 0.115744981 0.013299139 0.032813292 0.015722606 0.058230808 0.174782852 0.011160484 0.323084567 0.12926401 0.031792992 0.039186968 0.072244352 0.063237761 0.060698022 0.240715283 0.364768776 0.059803616 2'-Deoxy-5'-Adenosine Monophosphate 0.001374498 0.00125595 0 8.52E-04 0.001092388 0.001790051 8.96E-04 0.005220592 0.002366913 0.001966403 0.001424075 0.005207682 0.007797057 0.001400972 0.003101974 0.01696296 0 0.007988502 0.001733488 0.001510999 0.001937678 0 8.12E-04 1.56E-04 0.001185148 0.001839378 0.004111344 0.001478639 0.003352701 0.011379025 0.002773134 5.66E-04 0.001184562 0.001030779 3.09E-04 0.002577537 0.009573336 3 Hydroxybenzyl Alcohol 0.024409866 0.017180106 0.011895514 0.024977178 0.00218108 0.014620339 0.013205542 0.013213719 0.011515504 0.042511687 0.008164071 0.009205516 0.013472529 0.010303754 0.012154929 0.010099003 0.026695467 0.039627828 0.016098445 0.008295416 0.009450892 0.007992284 0.008667693 0.005680316 0.008131137 0.014194915 0.006246275 0.025865775 0.019254311 0.011477546 0.008134708 0.012894759 0.014593968 0.009872506 0.021723031 0.020589873 0.007393288 3-(2-Hydroxyphenyl)Propanoate 0.093895926 0.104686643 0.043686969 0.228709045 0.154716955 0.169942003 0.055310732 0.064076273 0.182344289 0.180243568 0.124047829 0.022497267 0.225793233 0.256601199 0.023633466 0.024069739 0.067993976 0.116906148 0.040556989 0.154666814 0.045063883 0.01624411 0.110115707 0.185159501 0.08909364 0.077017145 0.022410197 0.323107847 0.051070887 0.033113726 0.025168126 0.060615067 0.02498718 0.078243585 0.064227089 0.089548935 0.019601462 3-(4-Hydroxyphenyl)Pyruvate 0.291539634 0.140062763 0.002675046 0.22308434 0.032309492 0.051788786 0.041618195 0.046754599 0.03345856 0.432475667 0.027346272 0.04119927 0.039932276 0.011837518 0.014422619 0.045754466 0.137920757 0.19146645 0.085051703 0.022438626 0.116018705 0.019994639 0.015942242 0.017685139 0.021670662 0.045642768 0.015302746 0.067269002 0.074450023 0.028948473 0.017243921 0.048376091 0.029313041 0.033351766 0.115011821 0.225628803 0.020611966 3-Amino-4-Hydroxybenzoate 9.38E-04 0.002322971 0.001023785 0.001100123 3.95E-04 5.39E-04 6.84E-04 4.03E-04 4.33E-04 0.001242062 2.98E-04 0.001678852 6.00E-04 0.00115691 8.94E-04 4.58E-04 7.52E-04 0.001573069 0.001009017 5.92E-04 0.001078489 4.36E-04 3.76E-04 4.97E-04 3.13E-04 5.52E-04 7.79E-04 6.92E-04 4.31E-04 6.14E-04 6.52E-04 6.46E-04 4.54E-04 3.89E-04 0.001019354 0.001394233 5.64E-04 3-Dehydroshikimate 0.040831597 0.033678022 0.00493875 0.025489378 0.008134194 0.02464039 0.015875923 0.016085698 0.012353894 0.044013553 0.009658267 0.012689581 0.014550375 0.013894424 0.014197624 0.018248239 0.04037829 0.087949386 0.018885763 0.01166116 0.062007289 0.014113372 0.006933512 0.009630013 0.012705686 0.030049273 0.007689557 0.039028586 0.023086587 0.019670761 0.00994912 0.020605693 0.013958818 0.014919425 0.044106577 0.051912903 0.011397819 3-Hydroxyanthranilate 0.004961495 0.003867048 0.004569304 0.016641449 0.016216253 0.003880723 0.020432238 0.002446701 0.011698963 0.004061813 0.003395298 0.008672197 0.021703401 0.004029227 0.008411469 0.012426408 0.004071662 0.010216349 0.009006501 0.005122477 0.119405953 0.063228233 0.001997183 0.032682124 0.001463415 0.006239638 0.004123764 0.006410302 0.002923872 0.005786209 0.006255122 0.006402683 0.017443377 0.009085654 0.003753135 0.004219701 0.00399575 3-Hydroxybenzaldehyde 3.222646927 1.828211001 0.056841791 2.851622581 0.554273261 0.591664059 0.789682302 0.748063135 0.522682156 3.754625378 0.442925768 0.697513924 0.638365707 0.27160132 0.224584244 0.728048546 1.765768449 2.441516211 1.307325813 0.418545495 2.044155714 0.349217577 0.300031669 0.210743991 0.419293975 0.637824193 0.197124647 0.857138178 0.973886168 0.520180084 0.35354289 0.663717813 0.555018983 0.419580658 0.93238321 3.106784186 0.353599842 3-hydroxybutyric acid 0.012871061 0.009344651 0.007697501 0.011921788 0.01175813 0.035145787 0.015823283 0.017926782 0.021746934 0.025004531 0.011252195 0.007609379 0.014598472 0.012203275 0.010604341 0.00831654 0.017657596 0.022247016 0.015351182 0.017926554 0.053333719 0.022925565 0.022987628 0.004536702 0.004706554 0.010465167 0.008786383 0.027882541 0.01398872 0.02139691 0.008645667 0.00706248 0.016665695 0.015130895 0.029797807 0.013756252 0.007155912 3-Hydroxykynurenine 0.006905616 0.005596709 0.00582153 0.010460714 0.001920161 0.00335556 0.027435367 0.005596522 0.00786104 0.003311854 0.00101208 0.008709254 0.010203012 0.011694121 0.01276572 0.005341561 0.009063947 0.123042328 0.006803237 0.003791788 0.01535527 0.005311836 0.001849703 0.003307025 0.001663513 0.002458661 0.021782268 0.012988252 0.001776118 0.007320297 0.006441624 0.00398722 0.004715796 0.003868685 0.004610796 0 0.022210941 3-Hydroxymethylglutarate 0.008846626 0.005354518 0.013770456 0.010202567 0.061310901 0.015948604 0.035269747 0.0183828 0.021751025 0.004479375 0.00870416 0.006448395 0.011678729 0.010513585 0.008298682 0.01272251 0.005561396 0.005895184 0.009586846 0.081342377 0.018957932 0.092374141 0.01235122 0.023269497 0.009660619 0.03741264 0.012430906 0.009204074 0.003187562 0.007072224 0.01565679 0.094242349 0.007571004 0.012656566 0.00485707 0.003548456 0.003600963 3-Hydroxyoctanoic acid 0.031827902 0.025735976 0.005793239 0.02080804 0.007203089 0.03477944 0.037297491 0.02740465 0.02425415 0.079362397 0.014064184 0.031428057 0.033969358 0.015293219 0.014026421 0.028272301 0.058737348 0.099451728 0.032323493 0.014754453 0.054227364 0.014192832 0.014936344 0.013154809 0.013015733 0.035766716 0.008311763 0.059705459 0.034476601 0.020977668 0.018005362 0.02301378 0.019706278 0.027196442 0.067082351 0.040101511 0.016608119 3-Methoxy-4-Hydroxymandelate 0.014695719 0.014301377 0.023800451 0.030865016 0.00676506 0.023673784 0.031732404 0.015278703 0.009005125 0.017766577 0.012926637 0.015585062 0.014729781 0.013597921 0.013464452 0.010965919 0.036101175 0.047029245 0.024244336 0.011472987 0.036923444 0.011476213 0.009602794 0.014600521 0.011406014 0.023464904 0.012065127 0.025600877 0.013834859 0.020494995 0.009702879 0.015310054 0.010142029 0.010511209 0.030707612 0.015201262 0.012078698 3-Methoxytyramine 0.00102924 0 0.00175201 0 0 7.31E-04 8.21E-04 0.001116901 0 0.001545571 0 0 6.41E-04 0 7.17E-04 6.79E-04 0.001461402 0.001211602 8.54E-04 7.59E-04 0.003491213 0.001196762 7.09E-04 0.001071215 3.81E-04 0 7.15E-04 0 0 9.59E-04 8.38E-04 0.001762288 0.001875973 0.001311773 0.001550313 0 5.81E-04 3-Methoxytyrosine 0.011410436 0.006971497 0.006602075 0.007301588 0.00245101 0.009011229 0.01425348 0.007793963 0.008408282 0.007707968 0.004186299 0.018420418 0.00870737 0.013700868 0.016246166 0.008997658 0.015296243 0.031288387 0.027735492 0.007247228 0.026455855 0.006983908 0.003723267 0.005838818 0.004324407 0.006486473 0.00892515 0.020385847 0.007812406 0.020742111 0.010495643 0.008250524 0.009534362 0.006578277 0.020916198 0.01022197 0.007757938 3-Methyl-2-Oxindole 0.002530965 0.005304443 0.007695244 0 0 0 0.004021383 2.96E-04 2.10E-04 0.00592239 0 0 0 0.001400022 7.18E-04 0.011999976 0 0 0 8.04E-04 0 0 0 9.11E-04 0 0 0 0.002816496 0.001276447 0.002390732 0 5.33E-04 0.001233851 0 0 0 0 3-Methyl-2-Oxovalerate 0.116194553 0.113731514 0.095276059 0.190175825 0.046883775 0.133643036 0.095306458 0.088501391 0.063904287 0.214651428 0.073661972 0.085436852 0.101947013 0.036472344 0.038247449 0.158625205 0.261048977 0.26784971 0.145533857 0.038725085 0.324643873 0.051590988 0.038012709 0.155031721 0.091225655 0.135871583 0.02309434 0.183389831 0.102784263 0.05373001 0.028553079 0.092053878 0.04283942 0.059803758 0.254358739 0.166731899 0.062482632 3-Methyl-L-Histidine 0.214286703 0.018828481 0.082358013 1.441976951 0.107320509 0.210156059 1.966684971 0.512847407 0.039866508 0.033730257 0.021199723 0.044905861 0.357618485 0.114968942 0.417243799 0.015468069 0.013089062 0.016285816 0.045829166 1.697150941 0.065534996 0.085094921 0.014390231 0.497757236 0.308821311 0.011534531 0.014108786 0.045635504 0.051408126 0.045835987 0.053101678 1.746286673 0.246051832 0.130716025 0.006434238 0.130437965 0.022858405 3-Methyladenine 0.009221139 0.010194469 0.058148907 0.024551748 0.003230001 0.007271948 0.00429242 0.007987614 0.022064072 0.029678705 0.001663694 0.008814017 0.004290447 0.005426165 0.010128505 0.00475458 0.012131313 0.02094476 0.018962265 0.006684433 0.012428145 0.003196401 0.0139358 0.007988468 0.009400045 0.007525335 0.005426285 0.014262898 0.011664774 0.014107961 0.005411569 0.00606744 0.019421445 0.008170314 0.016098986 0.019256543 0.004502767 3-Methylglutaconate 0.023794254 0.029573055 0.010673952 0.020202846 0.007459408 0.031537535 0.022246141 0.020643637 0.01423883 0.032522312 0.012646133 0.02112373 0.019954993 0.009937677 0.011427893 0.027498154 0.058790084 0.073584471 0.027906784 0.015346383 0.054250492 0.011738062 0.011014503 0.010737254 0.008161601 0.03218646 0.012713255 0.042398396 0.024496229 0.022523803 0.012398446 0.022797841 0.014519808 0.011183332 0.075777969 0.025515568 0.016490309 3,4-Dihydroxyphenylglycol 9.90E-04 7.50E-04 0.001305103 0.001784012 0.001206588 0.002198053 0.001956323 0.001969446 0.003417636 7.35E-04 6.62E-04 0.002914291 0.001159047 0.003498428 0.003758751 0.001016293 0.002168092 0.002092049 0.002580337 0.002162462 0.00409393 0.001170848 0.001039252 0.001893133 6.33E-04 0.001765264 0.002001236 0.001945301 0.001883283 0.002627686 0.001981531 0.001229241 0.001395555 0.001420133 0.002369041 3.28E-04 9.89E-04 4-Acetamidobutanoate 0.042474531 0.033952937 0.086953904 0.057379078 0.027211172 0.018916331 0.029249312 0.026244249 0.02368238 0.05271226 0.0075002 0.049280759 0.018051025 0.024051484 0.021788703 0.030399871 0.06499511 0.053965513 0.0368701 0.024884932 0.064616862 0.041468329 0.012420929 0.016805848 0.031345394 0.024892269 0.038358404 0.07281171 0.02079876 0.020874791 0.023383172 0.070106693 0.05118653 0.019470891 0.02904699 0.008312551 0.024754285 4-Aminobenzoate 0.003212091 0.002143899 0.00140213 0.003572139 0.001106098 0.00276185 0.004037323 0.004348884 0.002041599 0.002966091 0.001213711 0.006476448 0.003922851 0.002777154 0.001992413 0.006179158 0.005955313 0.003712546 0.01756534 0.003878014 0.010623325 0.003010383 0.00205698 0.001193511 0.001765035 0.002697097 0.005279698 0.005065731 0.00183485 0.002238201 0.002118597 0.001807646 0.001251238 0.00150226 0.004545922 0.002299834 0.001724571 4-Coumarate 0.01067035 0.010680898 0.00962344 0.025276858 0.012621302 0.016467256 0.014792109 0.014939399 0.009631811 0.011021533 0.008821816 0.007584554 0.021513331 0.027222885 0.018063291 0.010154601 0.022614933 0.028685247 0.015039352 0.011396259 0.018022012 0.010269259 0.008299999 0.012030273 0.008327219 0.018087351 0.005217846 0.01676974 0.019893502 0.011643522 0.015347271 0.011902539 0.01016636 0.015434042 0.012367962 0.008931137 0.006918273 4-Guanidinobutanoate 0.074418564 0.039169198 0.050268185 0.325839483 0.048009456 0.153537119 0.084522444 0.543695371 0.188408169 0.023151159 0.044854716 0.035208363 0.139836682 0.103766335 0.018194802 0.025990831 0.047450361 0.050008024 0.037110713 0.100820485 0.063440398 0.336833975 0.059824038 0.100572436 0.035649623 0.052683636 0.069361675 0.056397853 0.0194657 0.074694623 0.014522868 0.245554948 0.047395807 0.271795281 0.035276877 0.008257359 0.021605584 4-Hydroxy-L-Phenylglycine 0.002410523 0.001505788 0.003593655 0.002316812 0.162735488 0.002224641 0.002604528 0.002212362 0.001659138 0.002706125 0.001275257 0.003895671 0.001581294 0.001742267 0.001963608 0.001780763 0.002363126 0.003324192 0.00445081 0.001881029 0.004271306 0.00203678 0.001698606 0.001492726 0.001225885 0.003146153 0.001943529 0.005229182 0.00149645 0.00247517 0.002872097 0.001299089 0.001852915 0.001815063 0.003151641 9.61E-04 0.001493069 4-Hydroxybenzaldehyde 3.222646927 1.828211001 0.056841791 2.851622581 0.554273261 0.591664059 0.789682302 0.748063135 0.522682156 3.754625378 0.442925768 0.697513924 0.638365707 0.27160132 0.224584244 0.728048546 1.765768449 2.441516211 1.307325813 0.418545495 2.044155714 0.349217577 0.300031669 0.210743991 0.419293975 0.637824193 0.197124647 0.857138178 0.973886168 0.520180084 0.35354289 0.663717813 0.555018983 0.419580658 0.93238321 3.106784186 0.353599842 4-Hydroxybenzoate 0.0235896 0.009226198 0.001504918 0.012294707 0.014856727 0.107712734 0.034253463 0.067660067 0.069870837 0.003770802 0.00868183 0.005608419 0.020373203 0.041864909 0.006544466 0.004392994 0.005394402 0.006693146 0.007496291 0.01955867 0.013719669 0.00821747 0.009542466 0.014431279 0.012075847 0.02251649 0.009521105 0.005849163 0.002724075 0.008446907 0.008551111 0.010046233 0.00805144 0.003557622 0.003219877 0.003152407 0.002481898 4-Imidazoleacetate 0.030310173 0.019538438 0.008334519 0.047056564 0.083664861 0.014192837 0.136385533 0.037874856 0.057402244 0.01734176 0.008035966 0.154320315 0.043758166 0.051661862 0.068126743 0.109071203 0.006102452 0.042689181 0.012544496 0.05380513 0.177191495 0.629086984 0.022714675 0.038400743 0.034226715 0.011247998 0.145456379 0.071682339 0.00449198 0.020311619 0.096647264 0.187552175 0.171495614 0.156459125 0.002332587 0.002627004 0.002789761 4-Pyridoxate 0.046628472 0.020980095 0.101377071 0.036882292 0.00631165 0.014450802 0.046953668 0.030054237 0.012455087 0.01710951 0.002021318 0.043864919 0.022132116 0.020068282 0.036466286 0.032948445 0.082459253 0.098314702 0.064538707 0.018945405 0.076576514 0.022375033 0.007628553 0.011736709 0.003183882 0.00955418 0.023732913 0.060998322 0.01807355 0.05474096 0.017746438 0.01290076 0.025378276 0.014913402 0.022889901 0 0.045618628 5-Aminolevulinic acid 0.003660145 0.005878 0.003534754 0.003488971 0.001459277 0.010224611 0.002289473 0.007086832 0.014604714 0.008232515 0.001174571 0.00275015 0.003104409 0.001498702 0.00193712 0.002165898 0.005604114 0.005086257 0.003137751 0.001929337 0.003990747 0.003451205 9.50E-04 0.001749486 0.00203197 0.005461487 0.002315888 0.004693451 0.001862346 0.005163101 0.002004252 0.004943834 0.003107031 0.004388193 0.003500016 0.001861129 0.001857993 5-Aminopentanoate 1.273407947 3.845547277 1.997980593 1.196258906 4.364660525 7.958298261 2.252474757 9.794228673 7.771458376 0.916679998 2.786481357 0.387101968 5.380988423 6.097315127 1.785929895 0.376100908 0.876092808 0.639112231 1.273179244 4.057849619 2.98139707 13.3990574 6.580004882 8.449830501 6.050889101 6.679915536 1.323589468 2.965970202 0.795340371 0.930634681 2.822861835 3.089831955 1.029366602 5.114596342 0.818350731 2.056978895 0.540954982 5-Hydroxy-L-Tryptophan 0 7.13E-04 0.001455391 9.88E-04 7.85E-04 1.50E-04 0.001050625 6.18E-04 9.00E-04 2.02E-04 4.42E-04 0.001097691 5.88E-04 2.23E-04 9.08E-04 5.39E-04 0 0.001724952 9.38E-04 8.25E-04 4.94E-04 9.02E-04 0.001240744 6.70E-04 5.57E-04 0.001067666 7.35E-04 0.001190415 7.07E-04 0.001300003 7.96E-04 8.67E-04 6.09E-04 9.12E-04 0.001417016 0 0.001642807 5-Hydroxyindoleacetate 0.001611222 0.001609694 0.002424209 0.002061382 0 0.001386621 8.50E-04 0 9.06E-04 0.00271371 0 0.001568057 0.003913174 2.48E-04 0.001210871 4.97E-04 4.81E-04 0.002299699 8.44E-04 5.95E-04 0 0.001126769 3.73E-04 5.52E-04 7.49E-04 0.001324765 3.82E-04 0.001397521 0.00131862 3.19E-04 2.75E-04 6.11E-04 0.00109644 0.002681942 0.001354008 0.00121969 2.28E-04 5-Hydroxylysine 0.004393271 9.87E-04 0.002636345 0.002368891 0.020765333 0.017330294 0.002858855 0.004518061 3.17E-04 0 0.026883753 0.003888725 8.12E-04 3.57E-04 0.008263316 4.22E-04 6.17E-04 0.001075533 0.001032688 0.006136236 0.001421166 0.002428985 2.43E-04 0.002631888 0.001743183 0.00117575 7.02E-04 0.001314594 6.64E-04 0.002350645 5.65E-04 8.78E-04 0.038464581 8.02E-04 8.21E-04 0.001430248 0.001657061 5-Hydroxymethyluracil 0 4.16E-04 6.59E-04 5.40E-04 0 0.002602978 0.00212025 4.30E-04 0.003200875 0 3.50E-04 0.002242409 5.80E-04 0 0.003103631 0 5.48E-04 0 5.80E-04 4.94E-04 0.001357472 0.001509699 0 0.002317109 5.29E-04 3.75E-04 0 0 4.73E-04 0 0 0 0 0.003483345 0 0 0 5-Methylcytosine 0.006698951 0.013275744 0.012118813 0.018686325 0.00793541 0.011160414 0.029609223 0.044379454 0.017388278 0.016384946 0.011389616 0.00764576 0.015559407 0.019663809 0.010929877 0.010328835 0.089903402 0.006221224 0.012283824 0.024949307 0.004956121 0.017777354 0.027220826 0.0337787 0.020722124 0.024854557 0.003892686 0.038803501 0.016883506 0.004750085 0.016903269 0.018263658 0.014037519 0.04125012 0.002248513 0.002870858 0.00381257 5-Valerolactone 3.094594731 1.317572756 3.358307806 2.489511777 0.365009221 0.392164924 1.432709319 0.863743001 1.344531073 2.179340914 0.469958796 1.86612364 0.497992096 0.981519021 2.152598688 1.387087752 3.212340294 1.567615575 1.497570988 1.620587741 2.682449396 1.067466496 1.996762488 0.680402028 1.893099744 0.220321626 2.469855946 2.231280335 1.594738601 3.060121898 2.504947299 0.889252992 2.268478751 1.111735612 1.234233889 0.490880394 1.100381598 5'-Deoxyadenosine 0.016954493 0.008960912 0.05825986 0.007195687 0.008612401 0.005956227 0.003822631 0.00837452 0.019488134 0.012736064 0.010676399 0.013479825 0.019558677 0.017673024 0.018008261 0.044815632 0.025326542 0.028315842 0.081094446 0.011924913 0.010114111 0.005780334 0.019953497 0.011969901 0.047574705 0.030544496 0.036612103 0.0276963 0.009282349 0.011026036 0.041729233 0.005070958 0.012022474 0.003736251 0.118057287 0.03219745 0.038623573 5(Z),8(Z),11(Z)-Eicosatrienoic Acid 2.88E-04 0.047864381 0.211836599 0.162589385 0.141147962 0.141099171 0.02021742 0.028149397 0.443592093 0.094974793 0.123027917 0.028793191 0.1795852 0.224473164 0.033335235 0.125732115 0.043252455 0.063836982 0.037787543 0.046944761 0.057830876 0.554785371 0.121161097 0.371310842 0.293756857 0.041659853 0.017377499 0.174249081 0.040905146 0.07615343 0.10181149 0.180349369 0.025340034 0.983105045 0.069635233 0.013736565 0.077496024 6-Carboxyhexanoate 0.001785284 0.001435714 0.00388789 0.002153455 0.002848356 0.004229383 0.002326303 0.001191456 0.002328446 0.003001555 8.17E-04 0.004484838 0.002759198 8.21E-04 0.001980411 0.001241396 0.002865849 0.005132296 0.001650001 0.001180446 0.002076456 0.001982865 0.00168885 0.001916238 3.96E-04 0.002036699 9.78E-04 0.006096901 0.001753737 0.001609595 0.001129187 0.001217514 0.001320344 9.30E-04 0.002246034 0.001236619 0.00213458 6-Hydroxynicotinate 0.00465634 0.002660144 0.004845375 0.00583187 0.002714422 0.007346026 0.003917405 0.004821611 0.008109885 0.004935401 0.001478439 0.006072791 0.002598091 0.003501328 0.003257029 0.004612667 0.008372905 0.007725543 0.005713631 0.003134946 0.012234449 0.004544194 9.28E-04 0.002650144 0.003306015 0.005155473 0.001298566 0.009924019 0.002280647 0.004660148 0.001523957 0.017960563 0.004735089 0.025873476 0.003928231 0.007531354 0.004496917 9-Decenoic acid 0.044680096 0.033808515 0.00635241 0.033915726 0.008478753 0.02665294 0.029863953 0.030602702 0.0190377 0.062780877 0.015081514 0.02015452 0.024544279 0.015591184 0.017918391 0.028122803 0.053201139 0.061555899 0.032270397 0.017683636 0.039262359 0.017460986 0.014671692 0.012431974 0.010660804 0.025434414 0.015482947 0.034193979 0.021701185 0.03134808 0.013507041 0.01806178 0.013010706 0.022582677 0.043547531 0.080061266 0.011156335 Acetaminophen 0.034201641 0.096840426 0.063229385 0.144171753 0.017808067 0.049429881 0.175426545 0.029971558 0.06030821 0.066849155 0.011298274 0.116056249 0.0558348 0.180289819 0.088995056 0.081106246 0.060587711 0.070164229 0.213729542 0.030272606 0.054888634 0.042669384 0.029594367 0.029999404 0.013503144 0.029101003 0.063124277 0.090029828 0.036218633 0.074606602 0.062813697 0.034333923 0.02671263 0.020729535 0.089655878 0.047678786 0.057730089 Acetoacetate 0.007401074 0.011055235 0.005182055 0.008877529 0.005049872 0.009964385 0.007635615 0.009661706 0.008915333 0.016874327 0.006958001 0.006765038 0.010447307 0.005337468 0.005192925 0.007200653 0.016087007 0.027733124 0.009046395 0.004003121 0.018301976 0.007541635 0.005140501 0.004332105 0.004934339 0.011509098 0.003726475 0.018220907 0.008551743 0.011287718 0.002741172 0.008663537 0.006854889 0.007965319 0.015336284 0.01096347 0.00570756 acetyl-carnitine 0.01352081 0.011654221 0.023513667 0.012458628 0.021561419 0.018072185 0.101027597 0.02666888 0.005143759 0.007564262 0.013312704 0.019586888 0.010126495 0.007278826 0.046845708 0.018900269 0.081518293 0.047568571 0.026390723 0.003685127 0.020224758 0.021444092 0.00289533 0.017992524 0.002690313 0.083847235 0.063565308 0.019204136 0.008209409 0.027364738 0.012177727 0.010859812 0.079751293 0.008091072 0.022581188 0.884607504 0.008461921 acetyl-lysine 0.115195128 0.054245452 0.120958197 0.131533325 0.200851635 0.128183381 0.059782891 0.069294064 0.211631081 0.073467613 0.038404697 0.098922133 0.051154933 0.120800345 0.057889335 0.074112692 0.107725149 0.05681386 0.128606927 0.168816978 0.479963807 0.105664796 0.076753775 0.212751077 0.189309418 0.042921294 0.092111701 0.056679112 0.068895354 0.105166408 0.077254301 0.040332764 0.127747604 0.118487937 0.047483041 0.019183623 0.078894313 Acetylcholine 0.002596996 0.013363488 0.002266388 0.00605765 0.006553414 0.067235533 0.063546047 0.04088307 0.009272831 0.031125853 0.029843 0.015651614 0.009033016 0.007160861 0.010307599 0.001411154 0.002477699 0.003918442 0.011648384 0.009751852 0.056651436 0.01424775 0.010800824 0.006806453 0.031696389 0.020505331 0.003400098 0.01218989 0.002376317 0.004797286 0.004916379 0.01825247 0.023829338 0.013171804 0.003165102 0.001274235 0.016231521 Acetylcysteine 0.003140041 0.009259207 5.94E-04 9.60E-04 3.73E-04 0.003136164 0.002410085 0.001248937 9.31E-04 0.001143436 7.03E-04 0.001638989 0.002068514 0.008292536 0.003546743 8.12E-04 0.004199035 0.008484333 0.003948563 0.001817897 0.001664043 0.00319637 0.002033998 5.51E-04 0.002065714 7.78E-04 0.003621268 0.003017314 0.004952467 0.003083836 0.003154526 5.66E-04 0.001042745 0.002799146 0.003194225 0.004778083 0.001478343 Adenine 1.237837892 0.356516352 0.97635835 1.196258906 0.251064544 0.820829716 0.03186756 0.281654254 0.388572919 0.489426323 0.035235405 0.051251958 0.31267583 0.639474513 0.164159369 0.026806311 0.247649471 0.111830255 0.428128802 0.085698328 0.395180734 0.04072524 0.225541048 0.036498393 0.174392667 0.054437415 0.070439252 0.789111338 0.378996974 0.223353739 0.031331443 0.095383198 0.166609989 0.062217588 2.079415791 0.106092945 0.030001704 Adenosine 0.446539176 0.261822034 0.371280892 0.050717005 0.026763283 0.106017071 0.023216629 0.101294956 0.023201427 0.284570764 0.025980582 0.035422183 0.117890626 0.16864237 0.070091442 0.033408711 0.088943166 0.047555174 0.077324484 0.054003955 0.049286216 0.017403514 0.078567576 0.006520039 0.041871152 0.04141741 0.043137996 0.315959873 0.075828135 0.170340037 0.099878667 0.061218743 0.110071267 0.054128967 0.103526918 2.115597465 0.027519651 Adenosine Diphosphate Ribose 0.005514503 0.002840752 1.39E-04 0 0 0.005761584 0 0.013072639 0 0.005504581 0 0 0.014366012 0 6.63E-04 1.37E-04 0 0 0 0 0 0 0 0 0 0 0 0.001314888 0.001057558 0.001596061 0 0.005123682 0 0.001506517 0 0.001932069 0 Adipate 0.002417649 0.002115958 0.006081142 0.003135727 8.56E-04 0.002532045 0.002980751 0.002944435 0.001806452 0.004332677 0.002517172 0.002835514 0.003358084 0.003584045 0.00147436 0.002090723 0.004023042 0.004579987 0.002676873 0.001194734 0.005807967 0.002257431 0.001929382 0.001823357 9.56E-04 0.006199162 0.00365081 0.004406743 0.002129622 0.004934894 0.001183986 0.001912923 0.002213455 0.00204974 0.004248398 0.001768518 0.001332141 ADP 0.002522669 6.78E-04 0 0.001197844 0 0.001372306 0.001029998 0.001261905 0 0.002001945 0 4.70E-04 0.00140997 0 0 0 0 9.31E-04 0 0 0 0 0 0 0 0 0.001249588 6.80E-04 7.75E-04 0.003262151 0 0 2.89E-04 0 5.07E-04 0.024730751 3.60E-04 Alanine 0.263768002 0.492776656 0.729971198 0.447441372 0.612211233 1.016662186 0.258706221 0.651663246 0.422959903 0.16469611 0.486594506 0.387101968 0.548125529 0.627577313 0.452014115 0.441659782 0.533684789 0.250800907 0.556101279 0.939175258 0.454917993 0.21246091 1.138051159 0.515821007 0.78586236 0.491297014 0.42008661 0.257218013 0.229366977 0.324894226 0.515240801 0.186501075 0.461440201 0.327701682 0.278741911 0.217561591 0.25178468 Aleuritic acid 0 0 0.010705215 0 0 0 0 0 0.012399389 0.020871881 0 0.015714832 0 0.011910123 0.01316137 0.004410202 0.011990709 0 0.003434192 0.011010498 0 0.007493641 0.002479851 0 0 0 0 0.008384756 0 0.005497673 0 0.003509747 0.018424487 0 0 0 0.010439189 all-cis-4,7,10,13,16-Docosapentaenoic acid 0 0 0.011648132 0.03512962 0.047894789 0.048295237 0 0.009621125 0.044378837 0.004286837 0.026051364 0 0.050333735 0.083023724 0.01120201 0.039973329 0 0 0 0.013440075 0 0.105478036 0.054900189 0.105816285 0.035484163 0.021529238 0.010717658 0.05957648 0 0 0.040178954 0.048063071 0.004361258 0.214234799 0 0.003042179 0.025222232 Allothreonine 0.018219989 0.03642218 0.052191739 0.017497976 0.026373834 0.008937632 0.008744476 0.013530403 0.014778886 0.043021789 0.00193146 0.02089679 0.027544818 0.010785841 0.019607367 0.027914382 0.025812364 0.021225077 0.014629545 0.007776316 0.03308051 0.014419056 0.003443224 0.005206556 0.012229094 0.016042572 0.018870721 0.022302151 0.005625231 0.014890673 0.013741857 0.004423172 0.015036739 0.008330265 0.019275568 0.042370765 0.006352083 aminoadipate 0.047323308 0.014328948 0.021502177 0.039817141 0.030012068 0.021671883 0.018639301 0.019488775 0.016872094 0.019793936 0.016043101 0.022507325 0.021523865 0.011937547 0.022015195 0.053734953 0.022625628 0.032801021 0.039039577 0.015579871 0.133559155 0.011795333 0.006081968 0.01089528 0.016221668 0.087280155 0.014005462 0.031635679 0.013883524 0.040093793 0.026362454 0.008286905 0.026867476 0.013480776 0.013364875 0.074127852 0.020000739 AMP 0.006624062 0.001972035 0 0.001938851 9.58E-04 0.008227735 0.001579044 0.012178019 0 0.00643192 7.92E-04 0.001741106 0.004610382 0.001191054 0.003842512 6.06E-04 6.10E-04 0.001684338 5.08E-04 0.002723683 0.001247753 8.35E-04 4.74E-04 0 2.09E-04 0 0.002576579 0.004640995 0.00408471 0.031098137 0.001479458 0.001996987 0.001269991 0.002163073 0.001187067 0.029827433 0.001080022 Aniline-2-Sulfonate 4.80E-04 3.29E-04 0 0 9.34E-04 0 0.001136126 0.004460532 0 0.001682797 0.023266869 0.001450785 9.73E-04 0.002584132 4.46E-04 7.59E-04 0 0.001880466 0.006159878 0 0.001901357 0 9.25E-04 0 0 0 0 0 0 0 0 0 0 0.020793691 0 0 0 Anserine 0.002306921 8.79E-04 0.006055925 0.007594402 0.003784011 0.001911936 0.025711966 0.030124644 0 0 0.001703176 5.78E-04 0.001981108 4.76E-04 0.006107462 0.001305017 0.001056511 0.001871714 9.54E-04 0.023610302 0.00628971 0.019158967 0 0.025009453 7.81E-04 0 9.14E-04 0.001056478 8.65E-04 0.005465113 5.83E-04 0.049450854 0.001814231 0.002154935 0 0.003138205 0.001378959 Arachidic acid 0.058376077 0.139395015 0.050968731 0.079607814 0.008110708 0.085826947 0.056724356 0.04077411 0.019267972 0.107040577 0.022232846 0.016237069 0.078536529 0.025792763 0.015097298 0.02751415 0.102849617 0.091679035 0.114469657 0.010530546 0.051845251 0.011536565 0.026357588 0.021945957 0.010815623 0.032851418 0.020725712 0.099327198 0.099832545 0.038002381 0.012714602 0.054840085 0.0220028 0.054848697 0.285316606 0.023104722 0.047735048 Arachidonic acid 0.030974107 0.201006844 0.308059996 0.067990389 0.055112665 0.07628217 0.042157359 0.045647438 0.137222197 0.062735432 0.077799612 0 0.112525737 0.350967407 0.072326415 0.102796914 0.071051022 0.109425906 0.050529959 0.086485064 0.001503892 0.101897869 0.38486821 0.108974742 0.13202638 0.063674875 0.017362731 0.201846086 0 0.053993463 0.208809182 0.100487254 0.029540772 0.123397244 0.050144232 0.118451137 0.111980187 Arginine 0.910593392 0.058050775 0.196840528 0.381092712 0.422947193 0.24611292 0.409882719 0.313836095 0.193243202 0.536782643 0.166530328 1.405983564 0.075125161 0.087182782 0.521554748 0.562426128 0.050304046 0.041695911 0.140902808 0.288388055 0.071467039 0.396275265 0.277270646 0.274970731 0.173458586 1.081715354 0.127532758 0.21734614 0.669546741 0.086793576 0.105559371 0.451070358 0.632463492 0.364453272 0.230117439 0.40044971 0.13370569 Argininosuccinate 0.004194044 0.001671868 0.00233962 0.006126578 0.002703175 0.002528589 0.001716545 0.026322241 0.002556958 0.002460508 0.002379557 0.017876679 0.002815619 0 0.002582187 0.004293243 0.002285209 4.53E-04 0.001580281 0.003244532 0.001795862 0.003945751 0.0049968 0.004043875 0.001777666 0.005500701 8.16E-04 0.002411969 0.009199671 0.001459283 4.41E-04 0.003505576 0.002623974 8.25E-04 0.001262245 0.023776447 0.00229365 Ascorbic acid 0.645821764 0.320778658 0.075691255 0.371232153 0.084146842 0.591664059 0.718234856 0.300158578 0.249505499 0.478902857 0.112365194 0.70116583 0.681814682 0.803061017 0.606900071 0.579678464 2.370204572 0.954984201 0.609760174 0.248450989 2.238067719 0.0091392 0.138250917 0.161093847 0.096107902 1.004142142 0.800064447 0.457368788 0.474769507 0.731503242 0.539906584 0.098762807 0.477574474 0.339952212 0.845181902 0.018948005 0.485540082 Asparagine 0.021532588 0.005646374 0.006368885 0.002986078 9.05E-04 0.002690471 0.003244155 0.024657484 0.003366266 0.01302493 8.49E-04 0.002123234 0.00139542 0.001527106 0.00260818 0.002265705 0.00416407 0.008623805 0.003869086 0.026155447 0.003997322 0.003738553 8.62E-04 0.002386922 0.001226814 0.008275568 0.001645292 0.007873863 0.002482702 0.00221047 0.003656314 0.001367262 0.004094576 0.001744912 0.002845549 0.026308629 0.002391574 Aspartate 0.281945456 0.106173384 0.181112468 0.116676989 0.062040345 0.11064369 0.068426945 0.278910989 0.149455524 0.107013144 0.057638976 0.09743114 0.040551685 0.155818456 0.228209226 0.129249298 0.081949316 0.073300032 0.20502448 0.546150829 0.101602931 0.227242187 0.090070264 0.109033315 0.149756489 0.062126216 0.193887214 0.200067537 0.127031003 0.143576628 0.173157905 0.036686311 0.171809165 0.125530954 0.100744705 0.09693015 0.067423259 Azelate 0.064238201 0.052977946 0.010242229 0.04567329 0.019725542 0.084989839 0.087861756 0.110992775 0.0667883 0.108954874 0.046031487 0.108769757 0.088648182 0.079516811 0.080134774 0.074810437 0.167413477 0.275430792 0.119277079 0.081179769 0.213471442 0.056889535 0.046227451 0.032289821 0.034767518 0.118851654 0.067672283 0.14498497 0.077766547 0.164560375 0.081801305 0.085049946 0.089298693 0.09854942 0.212612391 0.043316385 0.070062016 Behenic acid 0.020364045 0.03868255 0.02695484 0.03877417 0.002070228 0.021242308 0.025145731 0.010631437 0.001531585 0.082742643 5.05E-04 0 0.00831862 0.00294605 0 0.002906783 0.014672282 0.053581101 0.010822589 0.001831783 0 0 0 0 0 0 0 0.02487716 0.015629525 0 0.010207804 0.014247476 0.00111881 0.027497661 0.104893734 0.009409052 0.008460793 Benzyl Alcohol 0.038698072 0.006920049 0.015990391 0.011058336 0 0 0.015001677 0.007942752 0 0.007940425 9.35E-04 0.049256388 0.003217321 0.008610941 0.013005312 0.026029675 0.086968709 0.019804905 0.00334902 0.002202118 0.110197704 0.043620664 0.027435866 0.001888204 0.005408205 6.33E-04 0.12136562 0.02330285 0.019623772 0.090043233 0.025221506 0.039012006 0.038787442 0.096641334 0.022554995 0.00141527 0.025411265 Beta-Alanine 0.294199969 0.475584708 0.959880103 0.537385919 0.612211233 1.174994822 0.359806922 0.713359175 0.45046949 0.212775802 0.596806082 0.445532454 0.628339021 0.731677815 0.452014115 0.562426128 0.553732045 0.276345272 0.556101279 0.997873711 0.501120375 0.262532363 1.564303048 0.632231973 0.78586236 0.53008362 0.493971189 0.41480311 0.260528188 0.324894226 0.616644576 0.763597678 0.448532783 0.370578537 0.328499528 0.217561591 0.250146285 Beta-hydroxyvaleric Acid 0.034242832 0.044659491 0.004117726 0.037400131 0.040086331 0.079968585 0.036397452 0.077189196 0.080150995 0.041611854 0.062407436 0.016201141 0.06750777 0.018670382 0.008720425 0.017035336 0.037670291 0.034338129 0.025911753 0.058770467 0.067250846 0.021105103 0.05806856 0.053128318 0.037690638 0.031692821 0.01048533 0.032270095 0.015403137 0.007992034 0.013074648 0.027921891 0.024250177 0.02120863 0.033294577 0.052835202 0.010179966 Betaine 4.560080971 0.49512474 2.911950439 1.920480514 0.614142499 0.533330983 1.470313238 0.755775126 0.241651972 0.647087706 0.190791391 0.916628246 1.781407969 0.365838908 3.477031655 2.042676491 5.643667621 3.090184725 1.71708465 1.380689713 0.136238971 4.581932754 0.355899635 0.971429445 0.161555414 0.564560603 0.783176544 4.931945863 0.62896815 6.339694768 1.104478951 0.115296122 2.481451151 0.56658702 0.419538071 1.950399678 0.046545139 Bilirubin 0 0 0.009594576 0 0.050727609 0.02326164 0 0.003068001 0 0 0 0.001808833 0 0.011717739 0 0 0 0 0 0 0 0.050315837 0 0 0 0.039714548 0.012181406 0 0 0 0 0 0 0 0 0 0 Biotin 0.00729663 0.003083948 0.004666937 0.005923158 0.001677607 0.004510787 0.003499852 0.004029931 0.008679242 0.019928947 0.006833277 0.009806143 0.003816682 0.004426626 0.003584737 0.011237562 0.033438396 0.013306183 0.00950634 0.00617718 0.016293571 0.003908458 0.006950817 0.004320658 0.006531943 0.003336074 0.006164848 0.013289862 0.005220743 0.008805207 0.005408654 0.011637585 0.00625555 0.006069505 0.017501561 0.004180573 0.007034606 Bis(2-Ethylhexyl)Phthalate 2.461447763 1.449960449 2.146766382 2.599438271 3.418340323 1.966658 0.992743465 3.971675407 2.341753608 1.527907488 8.234676248 1.154002094 9.926419637 9.488017198 8.755797894 5.727775295 0.821761471 0.072380112 4.414663661 9.902173914 0.551157985 2.996831693 2.979624852 6.422674015 3.213750228 2.723681689 14.81913568 0.727887183 1.408077085 2.23108489 13.9224642 3.576343556 4.582133465 5.604617549 1.455591054 0.01745765 3.826266949 Buthionine-sulfoximine 0.019604944 0.013971124 0.03388504 0.028951364 0.004693369 0.006993107 0.015880509 0.016637327 0.016694966 0.009248224 0.008399887 0.016232375 0.005872274 0.006669327 0.010993389 0.012691909 0.026218628 0.024699602 0.016270752 0.0165578 0.021683546 0.021715198 0.035474216 0.005958502 0.014288558 0.025856712 0.01194474 0.031131008 0.020352596 0.017945928 0.010670332 0.008853982 0.012452615 0.015135655 0.084582116 0.005064345 0.014791977 Butyric acid 4.346660645 7.565011037 3.655879383 3.207267121 1.782558259 2.395822775 3.485883305 7.095031795 7.702684408 9.759657135 1.996285151 3.542348201 3.145037333 12.07565825 11.37937632 1.314627944 2.247959064 6.567768701 6.19516337 6.20161923 1.648252039 3.21973653 5.131576135 0.92325939 5.197236697 2.999497557 2.406526306 8.299274418 7.344724852 7.92461846 8.139708399 2.374563244 11.1971853 4.103927604 1.281188439 0.509535516 2.179652758 Butyryl-carnitine 0.009692115 0.003215675 0.018089604 0.004018904 0.050528947 0.004024597 0.00797686 0.007398164 0.003165078 0.020698185 0.003733385 0.00498018 0.002804016 0.002584662 0.068027501 0.00681453 0.03480334 0.013189697 0.006737359 0.00328906 0.016460076 0.039055919 0.002233944 0.00235435 0.004469106 0.034015974 0.00742101 0.024925882 0.004357008 0.009466883 0.006138194 0.008429649 0.037921167 0.007188464 0.014203252 0.138212265 0.003832854 Caffeate 0.006705394 0.004166563 0.015627977 0.003153468 0.066110676 0.077453756 0.007991752 0.008932673 0.002421316 0.001654394 0.001237474 0.004992767 0.010438032 0.002042414 8.93E-04 0.001816148 0.001748081 0.008675337 0.004234687 0.001504655 0.003297603 8.94E-04 6.49E-04 0.007181258 5.44E-04 0.004781432 8.39E-04 0.004797097 0.001111583 0.005665737 9.88E-04 0.002943721 7.52E-04 9.47E-04 0.002435705 6.75E-04 0.003120678 Caffeine 0.006471117 0 0.009395897 0.00581014 0 0 0.008396045 0 0 0 0 0.007437163 0 0 0.006587095 0 0.008171746 0 0.005431958 0 0 0.005599115 0 0 0 0.02168717 0.008211481 0.015978247 0 0 0.004853063 0 0.005409738 0.008274109 0.00158164 0 0.007562522 Carnitine 0.076517407 0.069255466 0.156958477 0.069720794 0.322521375 0.470831258 4.662885974 0.443439487 0.313702976 0.042565169 0.253694571 0.244103331 0.319594806 0.137537827 0.18814619 0.218586363 0.339957304 0.075414713 0.256905583 0.075378062 0.182469052 0.844561659 0.170432139 0.792798824 0.104913647 0.495606637 0.114832263 0.08360677 0.094792099 0.097635535 0.143371459 0.576725673 0.3041397 0.126485738 0.114798209 1.481451121 0.135519037 Carnosine 0.002698754 0.004817162 0.014125734 0.001573809 0.014779009 0.001854002 0.029905212 0.061441267 8.70E-04 0.002347269 0.013249677 7.37E-04 0.002825853 0.001352144 0.008227359 6.89E-04 9.63E-04 0 0.001578478 0.01860377 0.002552529 0.044948971 0.001051869 0.025596556 4.91E-04 0 0.001507997 0.003412442 6.50E-04 0.001203971 0.001449802 0.00208108 0.002115182 0.001322611 0.001381062 0.008783016 0.004975139 CDP 0 0 0.001143764 0 0 7.98E-04 4.88E-04 0.001840121 0 0 0 0.00244134 0 0 0.001493775 0.001032026 0 0 0 9.53E-04 0 0 0 3.46E-04 0 0 0.005176913 0 0.001057879 0.003039622 0.00132738 0 5.27E-04 0 0 9.87E-04 5.87E-04 Cholate 0.044827623 0.050773559 0.695868287 0.618335743 5.523419957 5.499975762 0.055092318 0.736495148 0.539875648 2.309627599 8.525801166 0.030171733 5.180454693 1.481201431 1.454031419 0.376100908 0.041758439 0.046247481 0.357890593 1.528711901 0.189070823 2.823461265 2.420945193 3.994100403 1.86799232 3.120166999 0.7557337 0.098075673 0.163746522 0.038910672 2.376137098 0.174917038 0.222270098 7.932218279 0.024990597 0.349586188 0.249303237 Choline 0.25572749 1.632781549 0.51151527 0.489460861 3.321777037 0.483331203 0.729516031 0.481999443 0.374818125 0.056284098 1.045970241 0.147315778 0.417778604 1.43063833 0.313517839 0.420956979 0.747055882 0.16898753 0.388384457 0.349638615 0.233666998 1.394393589 1.891234108 0.718536655 0.991743234 1.960878431 0.221653739 0.449152656 0.109972564 0.686800267 1.162032445 0.151533925 0.320418518 0.327701682 0.193708494 1.870465265 0.31929538 Cinnamaldehyde 0.003320473 0.001423651 0.00137055 0.003020856 5.77E-04 0.002403945 0.00379214 0.001309793 0.002136453 0.002993443 0 0.002464376 0.001332497 0 0 0 0.002110926 0.003084752 0.001536053 0.003994559 0 0.00104297 0 0 6.56E-04 0.001191539 0.001464089 0.001881725 0 0.00304935 0 0 0.001474353 0 0.002520501 0 0.007772591 Cinnamate 0.002710747 0.001524235 0.011287398 0.001509159 0.007170159 0.004925837 0.002972964 0.003896829 0.001641723 0.002590732 0.007858555 0.001910663 0.002286062 0.00311816 0 0.001294022 0 0.002923346 0.002280164 0.002081999 0 9.95E-04 0.005386392 0.002083902 0.005114703 0 0.002031523 0.002031311 0.00304516 0.001095041 0 0.004384995 0.001433874 0.013689019 0.002419827 0.001431488 9.88E-04 cis-10-Nonadecenoic acid 0.019664703 0.026562278 0.028441672 0.034022609 0.027378226 0.03604932 0.006478337 0.008313072 0.024117496 0.050044892 5.07E-04 0.028228234 0.004215276 0.020562102 0.012350533 0.020861048 0.040411045 0.05596323 0.045443186 0.016111603 0.044605419 0.036841612 0.019416953 0.013014398 0.018438283 0.00484658 0.02257039 0.052025899 0.026206783 0.027105028 0.032072273 0.034693661 0.017269432 0.03492179 0.102369993 0.015228064 0.016926433 cis-11-Eicosenoic acid 0.050894456 0.063078322 0.122882394 0.098964328 0.025862677 0.06457517 0.041845426 0.015989249 0.057682864 0.074592537 0.014046404 0.1394393 0.045255439 0.035341505 0.025036649 0.063305858 0.041965821 0.176073448 0.086788242 0.025932719 0.17521744 0.023534975 0.034704444 0.03593086 0.027067859 0.033839475 0.059772283 0.066350866 0.048060828 0.13663908 0.037433035 0.102304616 0.060459751 0.138495711 0.158982387 0.019474696 0.054823822 Cis-4-Hydroxy-D-Proline 0.084581403 0.049332694 0.172234114 0.067457328 0.056621894 0.406925961 0.076047959 0.25560481 0.051522616 0.042097034 0.496991824 0.175988767 0.047441397 0.033044509 0.064582242 0.025167099 0.027516187 0.024038325 0.052797729 0.109896556 0.015790008 0.082590521 0.043958816 0.077549381 0.018812414 0.067283104 0.018399079 0.027252483 0.024493707 0.045281367 0.020700407 0.03375537 0.215322078 0.217984207 0.024838521 0.167125646 0.023749455 cis-5-Dodecenoic acid 0.021733982 0.02455802 0.004368989 0.039926591 0.008443032 0.036062721 0.020623537 0.021256275 0.0200464 0.051812324 0.013561859 1.51E-04 0.016698352 0.018381878 0.012340315 0.016554555 0.049463457 0.058276993 0.025043277 0.009934705 0 0.013798001 0.023948671 0.014280972 0.009800576 0.028292703 0.001179225 0.024991704 0.022540594 2.36E-04 0.018981163 0.025996331 0.016020696 0.017374446 0.03368826 0.029725718 0.003048717 cis-7,10,13,16-Docosatetraenoic acid 0 0.007996939 0.018083625 0.025328761 0.029466397 0.024714955 0 0.013092427 0.076430156 0 0.015605515 0 0.03210903 0.056328255 0.002076063 0.024923045 0.007380091 0.034016173 0.014946025 0.018544191 0 0.097259438 0.022427393 0.078382304 0.035544918 0 0.010741981 0.04636054 0 0.001846102 0.028219435 0.032596509 0.002823823 0.158008212 0.013260228 0 0.005458269 cis-aconitate 0.001992395 0.001054582 8.17E-04 0.002126018 0.004247956 0.001288766 9.59E-04 0.001341224 0.001062797 0.002921719 5.23E-04 7.79E-04 9.26E-04 5.86E-04 6.58E-04 5.80E-04 0.00130958 0.003870121 7.56E-04 5.64E-04 0.001284276 6.65E-04 5.34E-04 0.001231752 3.06E-04 0.002192154 3.32E-04 0.002989799 0.001140976 8.28E-04 2.84E-04 0.001245331 7.49E-04 0.001058974 0.002987315 0.003150142 4.96E-04 Citramalate 0.147859809 0.040374398 0.098205679 0.189137556 0.085037872 0.173887957 0.383559975 0.090021134 0.316875974 0.424705649 0.121570129 0.124948063 0.214123892 0.056614348 0.091444706 0.082157448 0.121468924 0.125260806 0.153081977 0.169838484 0.376862917 0.265009084 0.139562646 0.327154958 0.173934967 0.102111427 0.123048691 0.100929525 0.210195592 0.124549175 0.049642388 0.077226888 0.149464921 0.060296361 0.143543071 0.16972696 0.085034135 Citrate 0.089143535 0.055777797 0.122121398 0.309768723 0.021159997 0.049497449 0.082575395 0.042928158 0.106292765 0.173956247 0.024963334 0.031227048 0.022348703 0.06547329 0.021186751 0.096035947 0.019866386 0.009979119 0.03373297 0.018773909 0.029481374 0.009653609 0.05051234 0.268949474 0.049135544 0.646443439 0.01337174 0.034042457 0.043615584 0.02535453 0.011895215 0.024449297 0.031896394 0.039598572 0.037995234 1.486780082 0.031004122 Citrulline 1.273407947 0.630417586 2.539985967 1.9592781 0.986876783 0.683330322 0.985222682 0.628527273 1.616188246 0.294391095 0.800593524 1.106527325 0.65841908 1.148079824 1.00833918 1.566512038 1.120583824 1.477522726 1.439034011 0.793705177 1.300826364 1.164058592 0.498673326 3.351833002 1.187581139 1.542845008 1.256037853 1.605433412 1.193010556 0.857484356 1.400468347 0.583169535 1.861895077 1.436374661 1.361681954 0.3590638 1.000107016 CMP 0.003044184 0.001173581 9.54E-04 3.86E-04 0 0.003086353 0.001162862 0.02034653 0 0.002723927 0.001091208 0.001737044 0.003056047 8.22E-04 0.002589158 0.001984696 0 0.001597151 0 0.001168016 0 0 0.002337925 5.22E-05 3.68E-04 0.004226359 0.004111103 0.001550122 0.003148901 0.019945589 0.001869931 0.00127431 7.91E-04 0.00365753 8.41E-04 0.004825514 6.46E-04 Cortexolone 0.073556281 0.032927034 0.002717945 0.04847692 0.007665711 0.023333311 0.011825792 0.017132297 0.015369368 0.11700499 0.015887838 0.009845277 0.014971487 0.012521161 0.010337013 0.017198089 0.024025084 0.027422588 0 0.012136615 0 0.017557269 0.017324031 0.009247726 0.010867132 0.00267638 0.014813861 0.024005296 0.022295083 0.016124903 0.010400302 0.020670721 0.015006601 0.01905787 0.039339063 0.017019153 2.19E-04 Cortisol 21-Acetate 0.016263835 0 0 0 0.009271027 0.001172491 0.009181956 0.011521063 0.012613139 0 0.001327409 0 0 0 0.024214419 0 0 0 0 0.009199187 0 0 0.005018959 0 0.003465668 0.008605299 0 0.033104902 0 0.019336364 0 0 0.001626766 0 0 0 0 Cortisone 0.035018315 0.062094112 0.06053788 0.045197038 0 0 0.041123824 0.032099649 0 0.039613021 0 0.159617073 0.014805281 0.009930419 0.02137155 0.024521177 0.131280048 0.049662154 0.177015504 0.001920479 0.111335388 0.098593252 0.015378793 0.022257042 0 0.027936395 0.112437802 0.117856761 0.025718673 0.037795302 0.02634222 0.08410348 0.159930838 0 0.060001841 0 0.308740161 Creatine 0.110931913 0.157446742 0.093649432 0.033686712 8.825884337 2.916653813 0.283718295 3.377852094 0.207073641 0.016857161 4.470846953 0.023242771 3.442495699 0.021539293 0.395117233 0.031670866 0.429426084 0.118173259 0.074003622 0.063372752 0.019011005 13.64672945 1.715353474 0.262928218 0.076975508 10.25690256 0.018077134 0.236028115 0.020132275 0.054450515 0.068286626 0.119075252 0.067463137 0.20159863 0.217748541 24.61979921 0.061429646 Creatinine 0.046954267 0.159359656 0.076977514 0.184956672 2.278893549 1.595826301 3.734069171 8.483190189 0.636159203 0.009773152 2.640918898 0.019656166 1.00266865 1.070748022 0.461496929 0.008107993 2.89314369 0.010780037 0.014134427 0.313909121 0.019550677 5.745991345 1.976070649 3.050770157 1.77258411 4.352719156 0.008285312 0.025833781 0.009691618 0.056753308 0.701604495 2.81918974 0.019952142 0.273732883 0.01578768 2.973560164 0.014086448 Crotonic acid 0.061367591 0.063949209 0.010207297 0.060149473 0.020142614 0.021537683 0.016670596 0.019045209 0.012261169 0.120249054 0.011228368 0.016779154 0.031531573 0.006161093 0.005602795 0.014207721 0.053856727 0.088569817 0.029335993 0.007748421 0.03549054 0.008435618 0.005754077 0.00700607 0.006306359 0.028849996 0.007003094 0.033276892 0.017719965 0.010538364 0.008122246 0.021390646 0.011230296 0.01069986 0.033359591 0.061507085 0.007991998 Cys-Gly 0.002499532 0.001324021 0.002001155 0.003497571 0.001338525 0.002980192 0.00567109 0.002296033 0.002363172 0.001082771 9.36E-04 0.005168304 0.002538311 0.001891959 0.004663841 0.002517526 0.002411816 0.002107236 0.003141675 0.007261978 0.005057478 0.003059787 0.002380036 0.004258749 7.14E-04 0.00155969 0.005611015 0.001886631 7.69E-04 0.01034256 0.001564915 0.002477713 0.001898758 0.002461034 0.001116145 4.56E-04 0.001912625 Cystine 0.001591377 0.001031054 0.008597446 0.003054909 0.002878069 0.001289551 0.003113628 0.001183416 0.001521917 8.19E-04 0.005433009 0.00407781 0.001493633 0.001113958 0.001932663 9.82E-04 0.002253384 0.001697774 6.33E-04 0.002196974 0.007027776 0.002564339 0.01522706 0.002289635 0.001879868 0.001280512 2.60E-04 0.004167375 0.002456022 0.004841906 7.12E-04 9.20E-04 0.002085769 7.05E-04 0.002255043 7.07E-04 0.002259399 Cytidine 0.030759435 0.109836387 0.350374301 0.015749704 0.005413254 0.110675496 0.028601403 0.164620161 0.00971371 0.03874168 0.008467323 0.102080367 0.015295979 0.023893412 0.101355028 0.055181043 0.009798577 0.023374202 0.06427534 0.060721367 0.018792178 0.017149706 0.058796693 0.028907007 0.016172808 0.097642707 0.020996061 0.040681144 0.046481786 0.084083999 0.056872531 0.010425661 0.090038502 0.020389501 0.013829985 0.041647768 0.013525833 Cytidine 2',3'-Cyclic Phosphate 0 0.0015326 0.002350644 0 0 0.00170177 0 0.004019768 0 0 0 0.002473421 0.001913699 0 0 0 0 0 0.001814742 0 8.16E-04 0 0 0 0 0.003140863 0 0 0.001764346 0.012297537 0 0.001839572 0 0.002838633 0 0.002146045 0 Cytosine 0.036874297 0.044861575 0.24244266 0.211187609 0.007849218 0.049109205 0.011824043 0.068674043 0.018504861 0.093731906 0.004355755 0.042283928 0.026144061 0.01537633 0.042792963 0.024178404 0.012874028 0.015408423 0.05728779 0.024539132 0.003898044 0.002333412 0.026923582 0.061004492 0.010803592 0.045061706 0.008372224 0.017411615 0.039975228 0.032708035 0.02603618 0.036163681 0.038876942 0.017791374 0.04591653 0.018495222 0.004298638 D-Mannosamine 0.011486935 0.004773291 0.007715558 0.005999949 0.003479999 0.002918216 0.005281209 0.006196949 0.00264636 0.003691947 0.001808225 0.003836298 0.002329376 0.003691317 0.003263195 0.00369306 0.007678316 0.002989875 0.003348749 0.003663447 0.010949495 0.005124996 0.001873165 0.002764701 0.001920147 0.012653601 0.002573877 0.008962734 0.003166814 0.002331163 0.004050158 0.002413602 0.004513153 0.003522122 0.001986962 0.001555039 0.002757581 D-Pinitol 0.002800341 0.001336033 0.001590586 0.001077506 0.005321972 0.115495891 0.006544366 0.00725442 0.001586657 7.08E-04 3.97E-04 0.005192636 0.002637495 0.004457616 0.002220115 0.002014032 0.001289695 0.003142155 0.002996426 0.001996428 0.003370706 0.001634389 7.45E-04 0.006284026 5.45E-04 0.006090424 0.003315974 0.003452423 5.49E-04 0.004344144 0.002514651 0.002071692 0.00218549 6.74E-04 0.001170397 3.46E-04 0.001363882 D-Sedoheptulose 7.65E-04 6.92E-04 0.003301063 0.001039596 0.002310945 0.00168475 0.003483508 6.93E-04 6.17E-04 6.26E-04 6.78E-04 0.001346101 4.96E-04 0.001053582 0.001712284 0.001069046 0.001948025 6.87E-04 0.001263462 5.21E-04 0.003689138 6.86E-04 0.001562144 0.003092733 7.10E-04 5.83E-04 0.002085656 0.001550946 5.09E-04 0.001113586 0.001769821 0.00118988 0.001230427 6.35E-04 0.001058028 2.93E-04 7.93E-04 Decanoic acid 0.318654584 0.283841739 0.023434287 0.288828955 0.314796312 0.212016906 0.199404196 0.192420303 0.153945739 0.576361417 0.121105411 0.137905539 0.18119733 0.094014873 0.105569794 0.198116265 0.47548553 0.515969418 0.28310024 0.0829563 0.310362211 0.101187499 0.197738833 0.078368465 0.102390157 0.20388327 0.141402704 0.275401293 2.126318134 0.161456888 0.080624672 0.149358332 0.106987773 0.147407481 0.420497218 0.477554528 0.986912992 Deoxycarnitine 0.456632543 5.736800037 0.767885403 0.472644919 3.147963122 1.949991406 18.08748511 3.551371893 10.48803011 4.71400915 10.39731849 11.86869243 7.419748012 3.390702071 14.22422041 0.828112091 1.202080829 1.252290603 1.395131278 4.644834155 13.41224698 5.126811244 4.055600494 6.422674015 3.791220972 0.60334721 4.496404414 2.802705787 1.541986433 1.056615795 3.864306008 4.349607028 10.29366602 6.370275684 1.341558575 0.147419322 6.517847837 Deoxycholate 2.461447763 1.449960449 2.125511269 2.580039478 3.418340323 1.966658 0.992743465 3.971675407 2.341753608 1.527907488 8.234676248 1.154002094 9.926419637 9.488017198 8.755797894 5.693270624 0.821761471 0.072380112 4.40978558 9.902173914 0.551157985 2.996831693 2.979624852 6.422674015 3.188642805 2.723681689 14.7980258 0.727887183 1.404019226 2.23108489 13.9224642 3.576343556 4.582133465 5.604617549 1.455591054 0.01745765 3.826266949 Deoxycytidine 0.017639793 0.00901815 0.041875841 0.022999554 0.02503274 0.011962547 0.013365105 0.027275127 0.011678249 0.003065755 0.008843563 0.013838164 0.011001712 0.011514186 0.01438486 0.054317465 0.028910877 0.011445122 0.041088071 0.031845659 0.092919693 0.028615855 0.018012209 0.021610014 0.014296654 0.032621856 0.028074135 0.016609649 0.011445433 0.033779865 0.032010722 0.013523034 0.028883732 0.003599698 0.018583109 0.003605433 0.016534421 Deoxycytidine Monophosphate 4.71E-04 2.60E-04 5.61E-04 2.93E-04 5.05E-04 0.001061293 4.30E-04 0.002145929 0.001128706 9.49E-04 0.001574754 0.002835582 0.00281856 0.001449944 0.003918872 0.008443297 9.37E-04 0.003932302 0.001065147 9.32E-04 2.89E-04 0 0.001020173 1.78E-04 9.13E-04 0.004645758 0.007175553 0 0.00183122 0.007261278 0.001794011 0 0.00109462 8.58E-04 4.16E-04 0 0.006985856 Deoxyguanosine 0.021459587 0.018909799 0.081755103 0.063427951 0.0187113 0.098233831 0.046176953 0.011640698 0.031076079 0.014204167 0.019653334 0.161391436 0.018491516 0.015405404 0.020096769 0.351947639 0.033191414 0.037493147 0.063325013 0.010350249 0.074153385 0.143241629 0.023650487 0.055907249 0.029191071 0.092620567 0.030053362 0.038741368 0.024103118 0.041801667 0.026615994 0.065303844 0.030352262 0.009965692 0.02168334 0.009404064 0.033570169 Deoxyguanosine monophosphate 0.0230036 0.008416133 0.002232345 0.005979305 0.001623964 0.022053629 0.005401516 0.031018365 0 0.029010241 0.002109892 0.004581871 0.014441995 0.002878879 0.00825172 0.001402506 0.002393506 0.005701197 0.002474597 0.006293316 0.003725154 0 0.001004291 5.54E-04 7.12E-04 0.001005284 0.006128747 0.015474957 0.01407957 0.082659084 0.004137322 0.005390968 0.003721684 0.006965279 0.003994116 0.097633952 0.00302909 Deoxyribose 0.004810858 0.005709907 0.004818912 0.004480542 0.003187865 0.028156537 0.01619444 0.013573189 0.021287484 0.009070615 0.006267912 0.017153907 0.021510752 0.017850606 0.005944184 0.008529634 0.014361254 0.041147246 0.012775093 0.01934297 0.015257986 0.009649936 0.018106666 0.031544864 0.00460127 0.01157767 0.003956558 0.017095118 0.008108178 0.011004932 0.008524295 0.016094354 0.007237953 0.013065015 0.02340334 0.004497721 0.02708098 Deoxyuridine 0.013172078 0.009530469 0.008621629 0.025250233 0.006966627 0.027224617 0.014497474 0.017712589 0.00727865 0.005003019 5.29E-04 0.029629752 0.014005337 0.018288157 0.030247658 0.043500152 0.015229598 0.006461666 0.040789266 0.008378127 0.087356048 0.017882328 0.003865649 0.021964633 0.004759938 0.010266615 0.055762745 0.020705708 0.008291686 0.007661448 0.025578372 0.004469356 0.015696347 0.01911328 0.023056718 0 0.010972716 Dethiobiotin 0.007550417 0.016168529 0.234553948 0.077032309 0.033988163 0.081961748 0.049140176 0.042385768 0.080248862 0 0.048063685 0.019296712 0.050980911 0.02232161 0.014199822 0.012714877 0.017915263 0.023067635 0.021144832 0.052112715 0.008182085 0.113937278 0.164721896 0.089089796 0.049718354 0.056903899 0.037023987 0.063391337 0.021880897 0.056073505 0.041699486 0.134961057 0.041698703 0.030162228 0.006193308 0 0.022748324 Diaminopimelate 0.002453712 7.01E-04 0.003533956 0.002002914 0.002180611 0.001273432 0.001080209 0.002669553 0.001931224 0.001119313 0.001340548 7.51E-04 6.28E-04 0.002388188 0.002780621 0.00306531 0.003786065 0.001082742 0.001055461 0.001126666 0.004737969 0 0.016139243 0.002471914 0.001133397 0.001058036 0.020037999 0.007519282 8.96E-04 0.002794674 0.00152788 8.69E-04 0.00128601 0.001652123 9.08E-04 0 0.001237736 Didecanoyl-Glycerophosphocholine 0.019590449 0.034003404 0 0.0331399 0.0151517 0.015034386 0.012064148 0.013158227 0.010667772 0.038747402 0.007638758 0.109255927 0.010625123 0.008475233 0.008125251 0.010014207 0.02399321 0.031966083 0.020969261 0.008164932 0.025000645 0.007675366 0.007069906 0.005944716 0.007298234 0.014364191 0.00859308 0.019170426 0.011785283 0.01122705 0.01139355 0.010957112 0.010032062 0.007643782 0.016101233 0 0.011020277 Diethanolamine 0.029046238 0.007432151 0.014126916 0.007124618 0.004579387 0.003968654 0.004066382 0.001646139 0.003860247 0.013164333 0.001309994 0.004353552 0.003925043 0.001685869 0.009006072 0.007198009 0.013078368 0.010044184 0.011656423 0.001289785 0.010450895 0 0.001178255 0.001480336 0.001485841 0.003804645 0.004327128 0.010187369 0.014105771 0.00563813 0.001755424 0.004364506 0.010364191 0.003363085 0.010855259 0.009466292 0.00564259 Diethyl 2-Methyl-3-Oxosuccinate 0.038807033 0.036844274 0.016947914 0.039670474 0.006082711 0.037966697 0.0413825 0.018449806 0.016741056 0.03256489 0.009203044 0.023605284 0.021844232 0.014050869 0.015178598 0.015221957 0.050738466 0.071991078 0.05289695 0.009405922 0.083901332 0.006204812 0.007766009 0.029372825 0.008607038 0.023729693 0.009170406 0.036201551 0.020217342 0.022170908 0.011632054 0.020792673 0.052855982 0.010880788 0.057091599 0.01706696 0.014799992 Dihydrobiopterin 0.007836966 0.006600001 0.042481754 0.013263989 0.00137125 0.001737407 0.003621777 0.004239079 0.003918872 0.012615389 0.001205528 0.006010031 0.0030283 0.006814371 0.002299682 0.003850293 0.00949908 0.007199646 0.01165701 0.001838724 0.005945149 0.00268224 0.002917012 0.001595538 0.001981549 0.003916663 0.001810387 0.009226142 0.00763718 0.003106984 0.003669739 0.002243671 0.0056663 0.003377389 0.011091579 0.017577047 0.003148181 Dihydroorotate 0.001107906 4.19E-04 0.009996508 0.006036039 0.001391871 8.12E-04 8.20E-04 6.68E-04 0.001234402 5.69E-04 0 0.00220615 4.12E-04 0 6.05E-04 0.001003087 0.00213906 0.002910611 0.001976185 0 0.002244651 0 0 0 0.00232258 0 0 0.001349669 6.68E-04 9.78E-04 0 4.75E-04 0.000920467 4.97E-04 0.002616573 6.32E-04 0.001011738 Dihydrouracil 0.009877166 0.009053288 0.004198817 0.00848885 0.001520456 0.004193616 0.004121659 0 0.003099751 0.014123654 0 0.005134453 0.008221124 0.003736547 0.004459849 0.010807124 0.02498227 0.005621988 0.003495006 0.00195885 0.066524009 0.012928638 0.001094557 0.007903561 7.81E-04 0.001850189 0.005038089 0.008366973 0.001015442 0.026462665 0.00242189 0.003901369 0.007001426 0.005417353 0.00337128 0.006754034 0.002726731 Dimethylarginine 0.220972307 0.052449449 0.069121491 0.117238904 0.208576698 0.116744131 0.098601039 0.397167541 0.443592093 0.020799961 0.148234176 0.068744789 0.262602492 0.143028189 0.219538036 0.152592598 0.029474973 0.021086208 0.048095369 0.226278814 0.021559267 0.745492843 0.262786359 0.764699625 0.539809609 0.387392123 0.05530916 0.039016306 0.029969757 0.06207388 0.18747989 0.301999271 0.035848351 0.23422965 0.020118384 0.057891767 0.041961594 Dimethylglycine 0.078939222 0.065897438 0.118157699 0.067585209 0.019252417 0.04975809 0.057741795 0.067568437 0.046763519 0.158292095 0.023190851 0.061665838 0.044194279 0.027928141 0.047044287 0.083346848 0.158820499 0.100469036 0.073327728 0.019324577 0.129631192 0.084923683 0.027740889 0.049872873 0.060970123 0.037631505 0.041403968 0.094984216 0.0572006 0.080198892 0.086836319 0.0518541 0.119077627 0.142136161 0.05655165 0.074475287 0.033858838 Docosahexaenoic acid 0 0.020802437 0.001813853 0.03649846 0.019700407 0.01511022 0.01730701 0.014541355 0.079228183 0 0.008542398 0 0.020794705 0.075984645 0.012802562 0.021142974 0.038458155 0.028462784 0.016948071 0.01568507 0 0.017961776 0.090888766 0.012211188 0.056668596 0.025603466 0 0.058831508 0 0 0.034444628 0.027990988 0.005775743 0.022810597 0.022000319 0.027675884 0.025557849 Docosatrienoic Acid 0 0 0.013579537 0 0 0 0 0 0 0 0 0.006370954 0 0.003452635 0.001592621 0 0 0 0.025513994 0 0 0.005828904 0 0.007032112 0 0 0.011906011 0.002675228 0 0.019612813 0.01670615 0 8.53E-04 0.008759016 0.033979736 0 0 Dodecanoic acid 0.286104806 0.528225701 0.072021444 1.002270975 1.989203691 0.347296771 0.270073454 0.243680681 0.238210304 0.473066607 0.142710004 0.171682171 0.247055957 0.182722145 0.309987228 0.420956979 0.70630738 0.736887028 0.387616638 0.178032541 0.49244837 0.174397942 0.728352742 0.145699345 0.240661921 0.318484592 0.320870174 0.411250675 13.59382777 0.260224606 0.140799373 0.277626729 0.144383298 0.153560053 0.757980595 0.282222195 4.670684482 Dopamine 0.004599153 0.002481518 0.004580755 0.002635154 0.003801056 0.001745763 0.004336291 0.004677929 0.002262509 0.007375405 8.65E-04 0.007926059 0.003292955 0.004487973 0.014785642 0.004239553 0.007828053 0.007581716 0.007772654 0.002994968 0.012381374 0.002570376 0.001276811 0.003901665 8.93E-04 0.001396242 0.005961053 0.004071654 0.00179772 0.008837771 0.003517993 0.00335795 0.002437865 0.001641952 0.008333924 0.001781195 0.003588674 Eicosapentaenoic acid 0.036251127 0.037354884 0.067551329 0.011991372 0.022524748 0.00870021 0.02624328 0.00823143 0.005361226 0.018058104 0.003868804 0.006329995 0.006006286 0.01753431 0.015027288 0.009740388 0.015352533 0.018260525 0.00796817 0.005620957 0 0.007986814 0.01679346 0.00193744 0.01191673 0.017943914 0.001820964 0.024583059 0.007273511 0.030727758 0.004855597 0.007082107 0.006169624 0.005329769 0.014178112 0.026117586 0.018726824 Epinephrine 0.001624345 6.76E-04 0.001734546 7.78E-04 4.88E-04 6.10E-04 0.001123831 9.47E-04 6.80E-04 0.00207262 3.14E-04 0.003020117 9.84E-04 0.001207855 0.001792895 9.59E-04 0.00180618 0.001539925 0.001453482 5.34E-04 0.003159306 7.27E-04 5.33E-04 8.26E-04 3.14E-04 5.90E-04 0.001342474 0.00158378 4.72E-04 0.001393543 0.001067432 9.46E-04 9.08E-04 6.50E-04 0.002296405 6.19E-04 0.001100195 Erucic acid 0.0148529 0.010087523 0.057938583 0.001110483 0.002139826 0.004705195 0.008810292 0 0.006478388 0.005304454 0 0.01673688 0.014016795 0.006647846 0 0 0.004385228 0.086817004 0.010753052 0 0.055794094 0.00625284 0.001207471 0.001010941 0 0.002537463 0.004805592 0.003497503 0.003344385 0.004527609 0 0.046839087 0 0.019427408 0.03399642 0.005641182 0.003694194 Ethyl 3-Indoleacetate 0 0 0.004230458 0 0.008442292 0 0.002054333 0 8.45E-04 0 0 0.008147852 0 0.00510928 0.007723167 0 0 0 0.011028008 0 0 5.56E-04 0 0.004596066 0 5.16E-04 0 0 0.010898962 0.012166398 0.002471155 0.006770141 0 0 0 0 0.006544315 Farnesyl pyrophosphate 0.076095085 0.067577666 0.005089424 0.057686916 0.014378502 0.02737059 0.03844785 0.028004374 0.024197575 0.129051986 0.016302319 0.045991117 0.024398345 0.012933142 0.019564969 0.037357975 0.068811568 0.097451281 0.033184249 0.012431523 0.014060035 0.021197948 0.015743821 0.008155459 0.01372448 0.055663839 0.007480928 0.070063453 0.05552264 0.025404428 0.013403903 0.025141427 0.036349816 0.042455547 0.073591959 0.056916848 0.013317494 Ferulate 0.004580641 0.013883114 0.039593124 0.012174614 0.035793735 0.042657268 0.042985223 0.039057798 0.018252224 0.007329974 0.017524527 0.008338415 0.046499472 0.025325652 0.009870219 0.01969719 0.009147317 0.014980165 0.020361966 0.009794141 0.023797956 0.014645868 0.013613064 0.048898894 0.0165147 0.055066468 0.003881887 0.006431273 0.008022794 0.008528013 0.011636124 0.019191765 0.021795957 0.04486831 0.011591227 0.003325427 0.008160051 Fructose 0.003829822 0.007799317 0.025769471 0.01681995 0.025631329 0.050916877 0.022590957 0.050387872 0.036805772 0.006807577 0.021606923 0.004461841 0.021641257 0.027606373 0.015419543 0.012687632 0.003722178 0.005931271 0.014719058 0.03315425 0.004381272 0.037418824 0.067028238 0.268949474 0.016768554 0.032969663 0.026479546 0.014715916 0.004731765 0.011452824 0.040466003 0.022502233 0.010301162 0.024729321 0.00243783 0.0060261 0.003582394 Fructose-6-phosphate 0.00243525 0.007197741 0.052727695 0.006920414 0.010297484 0.061292876 0.194594439 0.068479844 0.004371178 0.045509802 0.004304685 0.094613994 0.046985675 0.053116891 0.108184942 0.012929139 0.0048308 0.012527695 0.005031032 0.034411511 8.52E-04 0.001212157 0.00380628 7.26E-04 3.20E-04 0.001834859 0.107182304 0.017257015 0.085727543 0.199794642 0.0140701 0.006516088 0.071235882 0.03913946 0.002715803 0.005341142 0.016403703 Fumarate 0.006678298 0.008946056 0.016156349 0.014525961 0.005804985 0.009312864 0.005593308 0.02686885 0.014720411 0.011423841 0.008312728 0.008108862 0.008917398 0.008668019 0.019086508 0.014729601 0.011959522 0.014205611 0.023814886 0.006223608 0.013306576 0.011724282 0.009095176 0.011219983 0.009328257 0.021636399 0.008338747 0.010481637 0.008153044 0.004618148 0.0201143 0.007147654 0.010397949 0.008781559 0.014727225 0.020156838 0.012096102 GABA 0.578469994 0.12024252 0.24726828 0.458281081 1.763245602 0.679163674 0.16719334 0.372825105 0.293295902 0.323311859 1.050129168 0.204238782 0.280272486 1.728068336 0.603739133 0.07420254 0.277485032 0.434272995 0.129837314 0.349638615 0.247340106 0.143680695 1.971932281 0.365289585 0.10398163 1.387698582 0.145789819 0.196741579 0.101852272 0.301158995 0.098753927 2.042704337 0.332366019 1.574193126 0.193251159 0.085520285 0.085851845 Galactarate 0.001366985 0.00144608 0.002087913 0.003411045 0.004068121 0.002763631 8.38E-04 9.56E-04 7.44E-04 0.001247407 0.007009291 0.002032301 0.001141841 3.61E-04 7.04E-04 5.05E-04 6.49E-04 9.85E-04 4.14E-04 4.44E-04 0.001260037 2.57E-04 2.72E-04 9.33E-04 1.72E-04 0.003414738 0.003961557 9.70E-04 2.97E-04 0.001321575 2.20E-04 5.64E-04 3.72E-04 0.001250051 6.92E-04 7.46E-04 3.77E-04 Galactosamine 0.061493815 0.041680166 0.132009972 0.015760148 0.013655776 0.009876538 0.018768008 0.026974234 0.019507204 0.016775405 0.009935615 0.004292826 0.01352764 0.013537864 0.016344692 0.007430663 0.061249223 0.014871535 0.019612523 0.013020078 0.043617537 0.013983388 0.041928369 0.008148934 0.023483493 0.01895925 0.046154248 0.019872655 0.00543948 0.024466766 0.020388995 0.007879405 0.020363715 0.021765539 0.009474979 0.003036089 0.007877709 Galactose 1-Phosphate 8.43E-04 0.003035964 0.024431072 0.002790072 0.003277399 0.018528688 0.047966264 0.025265283 0.001723316 0.016262268 0.001978313 0.027802962 0.013674169 0.017049119 0.026995463 0.005628476 1.26E-04 0.005630404 0.001529418 0.010642883 0 0 0.001516671 0 0 9.98E-04 0.036223849 0.005975445 0.030353876 0.04849868 0.005128791 0.002289051 0.019595309 0.012689613 0.00117666 0.003633312 0.006590804 Galacturonate 0.022557296 0.024190064 0.107518879 0.032999363 0.04493452 0.055818352 0.047703997 0.079195129 0.043605313 0.043773804 0.018049899 0.044240574 0.019544419 0.038919072 0.087746551 0.015704519 0.013349923 0.025469661 0.032895332 0.035236573 0.021356204 0.024778328 0.018143394 0.019142979 0.008969555 0.273677182 0.018715537 0.034190583 0.025578456 0.049719044 0.019572606 0.018861238 0.034227655 0.034521691 0.018797467 0.008899707 0.017987853 gamma-Glutamylcysteine 7.06E-04 0 8.62E-04 4.84E-04 0.001148063 0.001024217 6.42E-04 9.74E-04 7.72E-04 4.83E-04 6.68E-04 0.001190707 5.58E-04 7.32E-04 0 5.69E-04 7.20E-04 0 0.001105686 0.001423777 0.002559874 0.00141887 5.25E-04 7.52E-04 4.32E-04 1.23E-04 0.001510047 8.66E-04 0 0.001256746 3.21E-04 0.001270227 7.59E-04 9.96E-04 0.00166502 0.002016347 3.67E-04 Gemcitabine 4.23E-04 0 4.46E-04 0 0.001151916 3.94E-04 9.24E-04 2.53E-05 3.18E-04 0.0010493 0 0.00169664 9.14E-04 0.002089927 6.30E-05 4.78E-04 9.38E-04 0.003502622 0.002424209 0 0.001657256 1.77E-04 0 6.33E-04 0 0 6.36E-04 0.001558184 0 0.001609946 2.59E-04 0 6.47E-04 0 0.002147312 1.83E-04 0.001355064 Glucosaminate 0.010520932 0.011985965 0.018432363 0.00999706 0.002361943 0.00523913 0.004801328 0.004779508 0.005029868 0.020588766 0.002401744 0.005227536 0.005195617 0.004120097 0.0040501 0.006119698 0.012542426 0.017945265 0.007732519 0.002340688 0.012170997 0.002705949 0.002260152 0.002563495 0.003667539 0.007742916 0.001868912 0.012754035 0.007869918 0.004494622 0.002932221 0.004795486 0.004541714 0.004005482 0.012242682 0.010427882 0.00456649 Glucosamine 0.015593714 0.01244595 0.039174629 0.010417731 0.006553842 0.004983691 0.007803919 0.024964574 0.008344901 0.005137874 0.004152943 0.003981055 0.004921809 0.005963808 0.007058115 0.004366149 0.008294915 0.008788487 0.008015473 0.004550658 0.010949495 0.008139783 0.00762077 0.004132329 0.009992772 0.027119118 0.011373271 0.008962734 0.003319433 0.006892329 0.009850689 0.002413602 0.00841611 0.00547153 0.002463737 0.002509462 0.002757581 Glucosamine-6-Phosphate 0 7.35E-04 0.00244423 7.49E-04 5.34E-04 0.001769079 0.005806474 0.001554311 0 0.001454383 8.89E-04 0.00303717 0.001280479 0.001598436 0.003227398 9.44E-04 6.61E-04 0.001095415 8.97E-04 0.001340142 0 0 0 1.34E-04 0 5.06E-04 0.008954871 8.56E-04 0.00231558 0.013416703 1.99E-04 0 0.002028764 0.002299331 3.56E-04 6.19E-04 8.67E-04 Glucose 0.003325856 0.010831166 0.037433437 0.022922782 0.024157323 0.028529397 0.029418551 0.0549873 0.044092534 0.005008553 0.016699049 0.004546403 0.028464651 0.026861051 0.019396313 0.018470019 0.003967663 0.008400593 0.020628804 0.03994223 0.003644661 0.042319881 0.039570483 0.042234496 0.021406508 0.046700698 0.039902103 0.017221514 0.005163111 0.01656613 0.04270489 0.008171518 0.013912941 0.03733203 0.003261163 0.004351707 0.005129483 Glucose 6-Phosphate 0.001303633 0.007197741 0.052727695 0.006920414 0.010297484 0.061292876 0.194594439 0.068479844 0.004371178 0.045509802 0.004304685 0.094613994 0.046985675 0.053116891 0.108184942 0.012929139 5.36E-04 0.012527695 0.003459152 0.034411511 8.52E-04 0 0.00380628 7.26E-04 2.40E-04 0.001834859 0.107182304 0.017257015 0.085727543 0.199794642 0.0140701 0.006516088 0.071235882 0.03913946 0.002715803 0.005341142 0.016403703 Glucuronolactone 0.030763533 0.025181747 0.014696479 0.029165491 0.011408807 0.0279499 0.026436364 0.020976868 0.015947322 0.055288174 0.015833759 0.016915667 0.022286625 0.013803458 0.010504753 0.017197756 0.039512999 0.074663714 0.023949267 0.010626552 0.043875813 0.010305394 0.014829633 0.009200691 0.019295215 0.028433796 0.007724589 0.031587034 0.02662813 0.018563843 0.00975051 0.021738881 0.017507452 0.020418926 0.050554809 0.037081546 0.015033402 Glutamate 2.717552155 0.287406255 2.433710403 1.991609422 0.107573385 0.4916645 1.286054035 0.243456502 0.526120855 1.456842024 0.3036017 2.578245186 0.427805291 0.49670811 1.561503307 1.687278385 1.256412166 1.612661999 2.165868139 0.413441282 2.464298391 0.272439245 0.482119855 0.289020331 0.288735372 0.155070817 2.132097868 1.993186397 1.290399173 2.556197442 1.923931076 0.666939744 2.110362878 0.670716526 1.951967727 0.724738678 2.087294591 Glutamine 0.178212198 0.144696229 0.278770999 0.640116203 0.013772973 0.142150799 0.305995695 0.202516447 0.584578727 0.078901557 0.066989196 0.314157047 0.113997732 0.188661409 0.06510359 0.800508354 0.531026935 0.080981846 0.259338183 0.308804908 0.5599845 0.307113331 0.017843752 0.553955634 0.544831093 0.343194174 0.280761402 0.56445716 0.263671913 0.233019607 0.575534937 0.177898739 0.120581972 0.281600839 0.22281161 2.552572256 0.09774728 Glutarate 0.054393464 0.0176412 0.066293004 0.017296429 0.005330225 0.013430774 0.043845513 0.012447805 0.027913031 0.032820903 0.011694837 0.107997104 0.022952938 0.040122139 0.114812901 0.032867487 0.082225221 0.09560297 0.143498965 0.044383472 0.069209796 0.082328381 0.010375993 0.019091163 0.021517798 0.009322 0.136072755 0.074358666 0.050384704 0.111256251 0.036511982 0.029553727 0.191964833 0.032919937 0.011194526 0.004057136 0.092391711 Glutarylcarnitine 0 0.001193424 0.004628648 0.001626615 0.003615303 0.002375118 0.002914151 0.00274373 0.001873301 0.002144749 0.003362347 0.005652504 0.001177472 0.009098787 0.00819851 0.00213925 0.004568994 0.005056107 0.002851884 0.001377536 0.006309846 0.012766042 0.003702643 0.002879233 0.003726491 0.002699686 0.002018787 0.006383098 0.002054314 0.006484007 0.006894105 0.003142212 0.00677492 0.00290633 0.004888526 0.001462617 0.002594006 Glycerate 0.313754402 0.46049806 0.036282348 0.32759272 0.079599226 0.182940465 0.214963566 0.243499018 0.086894223 0.317255815 0.050248622 0.085699394 0.203607268 0.022025823 0.009137474 0.078756758 0.236349016 0.388179852 0.116633076 0.011446374 0.1988695 0.012329883 0.009921217 0.044531011 0.114872945 0.157910558 0.009595728 0.233258059 0.111230369 0.151830531 7.55E-04 0.108232835 0.092823 0.103662082 0.228334877 0.243389635 0.092104311 Glycerol 0.110122961 0.15690146 0.01331859 0.143564732 0.045893406 0.240267657 0.171377712 0.190082621 0.138051541 0.275193044 0.119847861 0.196784821 0.15414113 0.145064669 0.138385384 0.224544768 0.500148019 0.556409204 0.265995974 0.116054039 0.359463753 0.105590579 0.082144914 0.125324939 0.133704532 0.290212437 0.077694624 0.40893419 0.261096557 0.165716213 0.113194328 0.154687331 0.172845668 0.13166888 0.589927453 0.16712752 0.18383818 Glycerol 3-phosphate 0.001709671 0.003894152 0.00195826 0.001493483 0.003407758 0.007537002 0.004605307 0.008091246 8.26E-04 0.009084735 0.005021272 0.003525848 0.002915483 0.004118617 0.003498565 6.26E-04 0.001626565 0.005870455 6.85E-04 0.00248281 0.00111862 4.88E-05 0.002389991 9.19E-04 6.60E-04 0.00389848 0.001615772 0.003420137 0.003603698 0.008824812 0.001639556 4.95E-04 0.001942972 0.002368918 0.002053798 0.010060519 8.44E-04 Glycine 0.022675874 0.009599455 0.056474683 0.020337148 0.095621437 0.0156106 0.014207686 0.011967787 0.006849939 0.031093201 0.091769036 0.014039383 0.006684803 0.005837786 0.017482129 0.025068462 0.026550031 0.022429049 0.024822713 0.012699828 0.029309678 0.004693872 0.033268582 0.016403999 0.010293744 0.011371105 0.021792911 0.012058475 0.014735758 0.014765866 0.014895282 0.005187403 0.01480468 0.007044234 0.018338712 0.08394779 0.01261747 Glycochenodeoxycholate 0.021012274 0 0.035868811 0.018815962 0.0286234 0.034574751 0.013644429 0.010466818 0.00436166 0 0.032342858 0.015248607 0.084552709 0.051538222 0.013168295 0.016160427 0 0 0.712199883 0.012969487 0 0.029774844 0 0.018989816 0.010714321 0.018569897 0.026836576 0 0.013629025 0.026410499 0.022301013 0.007603844 0.211967306 0.023595615 0 0 0 Glycocholate 0.016548696 0.00779375 0.019253095 0.011175566 0.041896887 0.035562401 0.010788118 0.006957706 0.012682951 0 0.076185306 0 0.021011046 0.039422312 0.009907058 0.005263288 0.012110572 0.02253645 0.541467035 0.005463255 0.042007808 0.010346856 0.005148338 0.018272217 0.008141258 0.011667774 0.007803749 0.01254497 0 0 0.016168939 0.008983111 0.32591231 0.013508461 0.013784131 0.032970783 4.50E-04 Glycolate 1.365890088 1.166272535 2.178649051 1.15746132 0.274239732 0.733330102 0.537736044 0.597679309 0.515804759 2.605733701 0.3036017 0.482051508 0.541441071 0.339070207 0.335059414 0.631435469 1.31753492 1.513559865 0.814639593 0.298596481 1.260428029 0.393798545 0.252440439 0.293034502 0.354014674 0.771422504 0.227986703 1.129245536 0.795340371 0.560819153 0.339839677 0.573503741 0.413037383 0.419580658 1.220818303 1.278950608 0.401098328 GMP 8.80E-04 0 0 0 0 0.002023159 1.78E-04 0.008571839 7.86E-05 0.001100504 0.001146701 0.001341285 0.001149211 1.46E-04 0.001630031 0 0 0.001333717 0 2.69E-04 0 0 0.001295498 1.10E-04 0 0 0 6.95E-04 0.001667506 0.013523333 1.16E-04 4.52E-04 5.01E-04 0 4.03E-04 0.010771182 0 GPP 0 8.97E-04 0.001357986 0.001240108 0.002159464 0.008473239 0.001294313 0.004298963 4.58E-04 0 0.001878481 1.67E-04 0.003093199 0 0 0 0.002225102 0.002979184 1.90E-04 0 6.57E-04 2.93E-04 3.33E-04 0 0.003933784 3.47E-04 0 0.001230444 0.003953428 0.00224985 0.005101354 0.00333947 0.00144378 0.001477501 0.0016523 1.30E-04 3.80E-04 Guaiacol 0.002400657 0.00262292 0.001951207 0.111097476 0.003181302 0.016390384 0.001568836 0.00439573 0.010436614 0.003362087 6.20E-04 0.001940301 0.022136571 0.002209943 0.021708681 0.00127856 0.002623599 0.002901428 0.002047858 0.021099774 0.003416414 0.016570318 5.41E-04 0.023351855 0.00175061 0.017001981 0.001824142 0.002395338 0.001340285 0.001263857 0.002138997 0.001578026 0.001404076 0.011292019 0.001556911 0.001369975 3.64E-04 Guanidinoacetate 0.029740839 0.00718996 0.00327303 0.008072358 0.133093116 0.092697473 0.006267992 0.132668397 0.002883509 0.004748305 0.032481259 0.002467634 0.070268226 0.017435968 0.016007108 0.002249853 0.045172025 0.004099855 0.004107818 0.00479328 0.005516665 0.007093041 0.021003997 0.059696544 0.038570126 0.069720378 9.35E-04 0.004099158 0.001757964 0.001344728 0.02252793 0.013348406 0.015805183 0.006261988 0.002128473 0.381933999 8.99E-04 Guanidinosuccinic Acid 0.001809738 0.001813098 0.00138836 0.002172426 0.007292211 0.037140566 6.60E-04 0.010947806 0.012755734 0.001460524 0.003058002 0.003578961 7.73E-04 0.003118855 0.002001359 0.001300324 8.67E-04 0.013958511 0.002058107 0.007248242 0.003562707 0.006312526 0.002932606 0.001076236 0.001524624 0.008138864 0.001008979 0.016132058 0.001400337 6.37E-04 0.001226999 0.006533282 9.24E-04 0.008570138 0.00145915 0.00754414 0.001581224 Guanine 0.046770464 0.116637499 0.471076249 0.203299584 0.027791053 0.0907802 0.066141378 0.328848091 0.086716606 0.08194325 0.015344741 0.033399932 0.016455974 0.07664378 0.153580199 0.171543269 0.022006911 0.053776451 0.091277177 0.140875391 0.010186136 0.006514223 0.125750008 0.190526739 0.136753146 0.384328926 0.021392866 0.03480818 0.18127302 0.233847174 0.079589155 0.006891284 0.14932391 0.01348715 0.053645627 0.036895307 0.031767928 Guanosine 0.015254841 0.067661927 0.184778476 0.006715206 0.006281367 0.013340759 0.037373124 0.071021818 0.018124087 0.042147779 0.056983937 0.055023964 0.026234009 0.036399628 0.02491002 0.230143902 0.023340798 0.035074871 0.025117038 0.042785117 0.006875027 0.005723851 0.150790278 0.012922703 0.073565352 0.267786513 0.04232588 0.033694395 0.040432988 0.259400315 0.167494451 0.012176183 0.072743314 0.040950719 0.005552553 0.07445746 0.052972359 Gulonolactone 0.015252539 0.022147364 0.018077896 0.032829249 0.05233763 0.03036722 0.055095864 0.015367544 0.027086924 0.03136521 0.017715049 0.045789295 0.01877896 0.020448056 0.036678083 0.015588769 0.012586675 0.024780256 0.029145938 0.011893336 0.015559279 0.013938118 0.010954677 0.023507279 0.015373835 0.014148555 0.00982092 0.016152128 0.013950004 0.012482449 0.00917248 0.013194526 0.020704505 0.013539853 0.015973203 0.01000098 0.010648774 Heptanoic acid 1.657564534 0.454021426 1.764174354 0.557039888 0.073808587 0.213117484 0.218142761 0.208609077 0.158935653 1.231801386 0.076790002 0.125311254 0.149647393 0.048170208 0.045486365 0.172171888 1.283577834 1.549597005 0.287463692 0.073269619 0.311670228 0.079396374 0.082228698 0.041814883 0.096055743 0.208834041 0.236430655 0.381117499 2.041103094 1.820630292 0.045238619 0.202200287 0.1012905 0.085159481 1.02629231 1.737241243 0.076938746 Hexanoic acid 0.587166487 0.239732214 3.719644721 0.449240073 0.092426382 0.111224162 0.154354708 0.186922292 0.072792428 0.738409531 0.048442329 0.108646272 0.075554598 0.140395235 0.08374821 0.122563173 1.025503984 1.54058772 0.148445318 0.061161637 0.315831961 0.196447596 0.088004879 0.033024485 0.258606464 0.096880308 0.730401844 0.214047562 5.559266877 3.629068864 0.110019608 0.102648788 0.16767804 0.086212398 0.784811766 0.496932387 0.186618152 Hexanoyl carnitine 0.001113799 0 9.31E-04 0.00202771 0 0 0.00164977 0.001087897 0.001079953 0 0 8.53E-04 0 7.94E-04 0 0.001088264 0 0 0 0.001567617 0.004366171 0.001375465 0 0 7.94E-04 0 8.83E-04 0.001200822 0.001000217 0.001123638 0.003050972 0 0.001690643 7.40E-04 0.00160881 0 0 Hippurate 0.01082145 0.010443457 0.009954159 0.011754518 0.001955491 0.013850662 0.00772592 0.005195675 0.009198254 0.012602462 0.003860867 0.007162881 0.007847158 0.00757167 0.00570053 0.007218584 0.024010632 0.361875204 0.017554034 0.004269417 0.01748458 0.003783296 0.00566587 0.007799281 0.007145464 0.010667179 0.060375348 0.021265439 0.016739523 0.011461265 0.007544043 0.009594115 0.008598404 0.010256016 0.021971936 0.01189772 0.005325495 Histamine 0.005156627 0.086735219 0.052382292 0.007513416 0.017181312 0.010118543 0.248833635 0.82132705 0.078490509 0.003083925 0.007338405 0.004603035 0.005994821 0.585937112 0.01948689 0.141429677 0.001738555 0.019570826 0.017149156 0.293492268 0.121735253 0.003951826 1.204265045 0.007035758 0.001730607 0.092010763 0.595298613 0.02755489 0.019774748 0.002101863 0.222480935 0.011534032 0.004299035 0.142362573 0.001964827 0.002286011 0.001891561 Histidine 0.08915622 0.035295053 0.038978266 0.024409685 0.451916178 0.01196016 0.020947846 0.036758029 0.049656387 0.0341572 0.040419839 0.062298897 0.032189835 0.038576657 0.054307506 0.05451117 0.017905264 0.046874278 0.032576679 0.031946207 0.032526906 0.017184241 0.032924682 0.008678965 0.034072322 0.016919479 0.053914303 0.051392394 0.001845145 0.074705695 0.067126491 0.010243476 0.126902775 0.035462264 0.010337237 0.102921218 0.018405651 Homocysteine 0.001011446 0.00162909 8.05E-04 0.00146847 0.002112592 0.001975896 0.003407852 0.004113563 0.001540072 0.002675385 0.001184011 0.001322216 0.008619413 0.002877322 0.002251393 0.004923124 0.001465517 0.00203576 0.013762254 0.004212117 0.002518312 0.001100281 0.002410789 8.88E-04 0.002062084 0.001137001 0.001948189 0.001246325 6.26E-04 0.001823052 0.001560052 0.001573369 0.001838223 0.001396106 8.90E-04 0.00309936 6.73E-04 Homocysteine Thiolactone 0.003818847 0.001021319 4.52E-04 0.001467488 0.001045446 0.001309972 8.47E-04 9.51E-04 7.56E-04 0.004751668 4.75E-04 0 7.18E-04 7.89E-04 0 7.15E-04 0.002431853 0.002155955 0.001790447 8.40E-04 0 6.25E-04 6.03E-04 0 7.38E-04 0.001121717 0.001428866 0.00117445 0.001339955 0.002276721 0.001087618 0.002318087 0.001343253 0.001636337 0.001286271 0 6.00E-04 Homoserine 0.03554773 0.033956939 0.037795178 0.036153192 0.032541929 0.069676474 0.024845135 0.093070302 0.06312219 0.016831708 0.04742213 0.040645828 0.044642928 0.044690985 0.026207451 0.02589301 0.038181106 0.022616653 0.042841451 0.043396771 0.027983618 0.014616325 0.078293527 0.024220399 0.12538264 0.036173808 0.027078883 0.051714485 0.012082259 0.022785187 0.042552101 0.014582837 0.021597651 0.029965283 0.013539917 0.007104671 0.013588634 Hydroquinone 0.013602243 0.009570737 0.033742374 0.007625285 0.005790292 0.035565508 0.01577263 0.0187972 0.014636997 0.006942102 0.003346518 0.014122934 0.025089042 0.056456534 0.01325818 0.006436993 0.012850574 0.009757684 0.017757624 0.022093931 0.003772143 0.00456197 0.00778343 0.009240617 0.00144066 0.022065454 0.003644557 0.009340235 0.006077278 0.008227457 0.019835247 0.006538627 0.015056122 0.014424841 0.006933609 0.005027326 0.004013656 Hypotaurine 0.001011702 6.46E-04 7.29E-04 0.001770934 0.002697759 0.003995851 5.24E-04 0.003931293 0.00129574 0.00191619 6.14E-04 0.001155292 3.43E-04 0.001258904 8.13E-04 4.64E-04 7.87E-04 0.001596686 9.82E-04 0.002993503 9.58E-04 0.009914456 7.26E-04 5.27E-04 0.002600087 0.002812878 7.27E-04 0.003369774 5.22E-04 8.31E-04 2.69E-04 0.001409412 0.001116059 3.69E-04 0.001299211 0.025583591 5.27E-04 Hypoxanthine 0.853681305 0.933018028 7.896274365 3.375389994 0.629592624 0.799996474 1.135638358 2.043677636 1.80187796 0.760967726 0.390939175 1.705439804 0.518045469 1.861911839 1.277018899 2.004721353 2.512824332 1.261299888 2.819531045 0.995321605 0.929161688 0.482960479 2.06090719 0.861039735 1.217710047 1.409246697 1.340477372 1.993186397 1.740821526 1.90190843 2.011631638 0.592835328 2.545988242 1.292430932 1.046415688 1.689280595 0.833862314 Indole-3-Acetamide 0.002843897 8.63E-04 0.003677426 0 3.76E-04 0.001666536 0.003052677 0.00201326 0.001695016 0.00446294 9.84E-04 0.003506666 0.002378237 0.003269642 0.001989463 0.002377914 0.007189572 0.00697838 0.006209282 0.001259818 0.002599605 0.001753235 0.001241963 0.001005376 0.00176546 5.58E-04 9.12E-04 0.005921793 0.004469834 0.003103032 0.001654493 0.002876038 0.002279615 0.002088684 0.007667711 0.003837639 0.002607764 Indole-3-Acetate 0.037462702 0.003175115 0.061293231 0.001895769 0.001222332 0.001348543 0.008183352 0.001165272 0.006047034 0.005179744 0.001434655 0.018548209 0.037275295 0.007936351 0.004764359 0.004476594 0.003811267 0.007496255 0.009587866 0.012455232 0.009808244 0.120964149 0.015311263 0.013010584 0.002664113 0.00121599 0.504526129 0.004971905 0.003501615 0.010478314 0.004008819 0.017823952 0.03291456 0.009396795 0.004434092 0 0.002745137 Indole-3-Ethanol 0 0 0.002239828 0 2.51E-04 4.40E-04 0.002366909 0.001823318 0 0 0 0.004177182 0 0.001318305 0.001312154 0 0 0 0 5.08E-04 0 4.96E-04 4.80E-04 0 0 0 0 0.00221969 0 0.002208433 0.001405216 2.16E-04 0.009667144 0 0.003283319 0 0 Indole-3-Methyl Acetate 0.004993521 0.008657043 0.015339925 0.007929585 0.001997084 0.005529144 0.014905961 0.005531557 0.004731806 0.005830047 0.002492697 0.030700608 0.00973764 0.013867842 0.009438937 0.013429079 0.005833512 0.041163533 0.027981078 0.003016595 0.0081284 0.002824 0.004851979 0.006453144 0.006392078 0.004201708 0.003990159 0.01421342 0.004697688 0.028951086 0.007870331 0.003624593 0.008480909 0.001205017 0.02357364 0.002497334 0.00505445 Indole-3-Pyruvate 0.013555159 0.007787747 0.05035953 0.011304311 0.095128763 0.132436471 0.019453408 0.050055346 0.011726237 0.006598139 0.05548898 0.030655164 0.012733869 0.01732318 0.014331775 0.007023969 0.009482076 0.038839058 0.021911692 0.003207655 0.014758585 0.009088593 0.018320018 0.01039339 0.004826721 0.009213239 0.002989688 0.018906303 0.008029151 0.021911213 0.005965934 0.012555095 0.014799836 0.004494894 0.021528009 0.00898863 0.008310372 Indoxyl Sulfate 0 0.001095278 4.69E-04 0.002430016 5.75E-04 0 0.002407746 0.001943169 0 0.007271662 0.00126905 0 0 0 0 0 0 0 0 0 0 0.001788944 0.001432963 8.25E-04 0 4.01E-04 0 0 9.21E-04 0 0 0 0 0 0 0.002615647 0 Indoxyl-Glucoside 0.004318469 0.004792323 0.00645318 0.004292987 0.004255108 0.003677619 0.013235535 0.002909479 0.002442227 0 0.001574472 0.005381057 0.00549192 0.004454757 0.005863228 0.011722463 0.006404002 0.02176022 0.017403037 0.007664814 0.00509735 0.007539996 0.001766717 0.002531504 0.001742124 0.035414313 0.004071153 0.005464604 0.003508631 0.009967832 0.004761464 0.004541493 0.003660829 0.002031129 0.023067623 0 0.006975992 Inosine 0.05952589 0.209065203 0.470059892 0.01917311 0.012849265 0.030237212 0.172358996 0.067723405 0.021067159 0.132122501 0.103781986 0.230247987 0.043013474 0.090968538 0.037033678 0.289669459 0.05308321 0.077913812 0.071669626 0.066705717 0.021304843 0.020457696 0.102754329 0.008352824 0.112665518 0.284016912 0.199917871 0.189377385 0.07176305 0.305007006 0.326136464 0.047031302 0.211436174 0.240131782 0.007136503 0.182529203 0.115238578 Isoleucine 0.538705321 1.431047921 1.806684579 1.506639595 3.16727578 1.608326245 0.879931708 0.771199108 1.915355007 0.25815246 2.162642247 2.527118511 0.852268353 0.806035317 0.638509449 1.91500921 1.066252487 0.602111512 0.990250523 1.99829953 5.195225788 0.79255053 3.476228994 1.693980272 2.661386908 0.98690365 0.918279775 0.648902048 0.766935358 0.381787899 1.208623368 0.354412424 0.764764529 0.719718647 0.838474109 0.884607504 12.61348691 Itaconate 0.019556679 0.005302352 0.013389782 0.024314512 0.012334064 0.022453543 0.047830351 0.01312993 0.00825494 0.047405113 0.016526388 0.017273112 0.025580344 0.008234209 0.012164403 0.011077032 0.013518028 0.017416673 0.017015139 0.022870325 0.047391695 0.033658685 0.017964043 0.048015399 0.024625268 0.008017696 0.015124541 0.011937363 0.026424379 0.016346097 0.00599588 0.007809591 0.021094348 0.006721432 0.020066961 0.020089057 0.011310076 Kynurenate 0.02750594 0.005198865 0.01534741 0.011691292 0.003526248 0.003224061 0.015182191 0.006027331 0.00468337 0.010087875 0.002159071 0.021677645 0.0056324 0.005825842 0.012445067 0.028090083 0.026972078 0.009188133 0.012055552 0.006320983 0.016835085 0.027274862 0.00335275 0.003257307 0.013044536 0.012634591 0.008062547 0.013114152 0.051035535 0.018071281 0.006051146 0.01585858 0.005736861 0.005811402 0.010311798 0.001578219 0.007311425 Kynurenine 0.006105137 0.003389049 0.005069568 0.004614753 0.004901317 0.004226796 0.005352721 0.006048663 0.006993778 0.002840478 0.006002811 0.005723114 0.005209125 0.004165329 0.005015863 0.004415719 0.007560259 0.009889544 0.004808713 0.005945667 0.01165885 0.003377201 0.004329418 0.002079011 0.009326634 0.006854627 0.00364926 0.007769035 0.003177159 0.005341229 0.003425169 0.004743257 0.002765656 0.007943682 0.006319213 0.007436656 0.004169556 L-Dopa 0.003002168 0.002358937 0.003595655 0.002390673 6.51E-04 0.003523259 0.003058304 0.003204992 0.002057236 0.002639542 0.001295359 0.003550534 0.001592501 0.002161658 0.005089212 0.001801321 0.003531172 0.006779132 0.005117743 0.002540298 0.004683542 0.002427065 0.001732753 0.001999002 0.001514655 0.003196846 0.002218228 0.003178505 0.001663731 0.004263136 0.003440786 0.002111115 0.001842374 0.002332943 0.003249636 0.001257735 0.002259122 Lactose 0.002622787 0.004785955 0.003935699 0.003456834 0.002711902 0.001950709 0.005008031 0.006481386 0.002240662 4.53E-04 0.003785329 0.010499846 0.001972318 0.002535701 0.002979249 0.002140322 4.96E-04 8.98E-04 0.001958144 0.004878164 0.011537114 0.001938874 0.003467419 0.00221358 7.80E-04 0.005577901 0.001022379 0.001476555 0.001140295 0.002419146 0.00238687 0.033153004 0.002343676 0.002334738 9.90E-04 0.001289127 0.001257225 Lauroylcarnitine 0 0 0 0 0.041466606 0.012755231 0.014400435 0 0 0 0 0 0 0 0 0 0 0 0.012482643 0 0 0.003550468 0.008283164 0 0 0.016184615 0 0.023688593 0.011110349 0 0 0.013800335 0.012296397 0.01028231 0 0 0 Leucine 7.185150985 3.933805739 5.685742645 2.573573214 4.615725069 2.379156182 8.949732756 4.665754604 1.9291098 0.25815246 3.639061473 2.527118511 1.303469245 0.95177602 4.583359908 2.591300751 1.792934118 0.853045824 2.156111976 4.389623488 5.195225788 0.968397679 3.89006578 4.255021535 3.715898701 1.396317828 1.211707105 1.183667007 1.148374107 0.80058966 1.441577986 0.45429229 2.113589732 0.719718647 1.059831274 1.230989961 12.61348691 Lignoceric acid 0.020142489 0.015095676 0.01067664 0.013471988 9.69E-04 0.003710514 0.003655062 0.001315519 0 0.03301564 0 0 0.003286051 0 0 0.003157699 0.006103642 0.030823421 5.38E-04 0 0 0 0.005589674 6.21E-05 0 0 0 0.009331394 0.007887955 0 0 0.002116333 0 0.004722636 0.032855108 0.004094274 0.00349881 Linoleic acid 0.739857131 1.090622425 1.966097924 2.476579249 1.606813078 4.333314236 5.076529084 0.848319019 1.031609519 4.003354504 0.821388161 7.997672743 1.159753405 1.293820527 2.004034608 17.90792396 1.188497995 7.306530064 6.682971509 7.196940834 0.993799023 0.767783326 1.93468697 1.362811143 1.17753817 3.202049834 1.446026772 6.129218238 4.504223528 1.389856161 1.227807866 4.63958083 4.098105282 1.408810969 2.260526199 0.474510494 6.201191261 Linolenic acid 0.038989937 0.073307707 0.231653986 0.14090683 0.098941823 0.704163563 0.231178612 0.143009726 0.070953153 0.194150773 0.047486224 0.850893949 0.061630165 0.096515456 0.106364222 2.863887647 0.032276977 0.722611625 0.238746731 0.054738976 0.057390996 0.059788964 0.119357004 0.061258389 0.025645891 0.099214194 0.052837417 0.870743546 0.244175519 0.573010873 0.112157781 0.275260895 0.409810528 0.077485785 0.057870548 0.030066387 0.14136095 Lipoic acid 0.001970749 0.002318518 0.002767878 0.001795828 9.33E-04 0.002138163 0.001837119 0 0 0.002756711 8.49E-04 0 0 0 0.001645447 0.001593245 0.002781643 0.00514996 0.002513474 0 0.005319871 0 0 0.001112182 6.87E-04 0.007543705 0 0.003585368 0.001380175 0.001739949 0 0.001964304 0.001212979 0.002682489 0.003688228 0.001244693 0.001503852 Lithocholate 1.927896947 0.888888797 1.349699656 1.60363356 0 0.01367642 0.894973276 1.361166426 0.74963625 0.094247229 0.015033593 0.544133899 1.23328244 3.479931073 3.132489427 1.870153138 0.862509973 0.135542737 1.814646278 2.730754146 1.583614704 0.018296865 0.089008015 0.674380772 0.549852578 0.129887337 6.269634324 1.122442852 0.961712591 4.145185041 2.726939346 2.838521327 5.001624557 0.012847244 3.112415894 0.004942999 1.910494669 Lithocholyltaurine 0 0.011857102 0.008511801 0.014917864 0.010257716 0.016957983 0.02868211 0.013148119 0.010517971 0 0.006190662 0.013940446 0.014448663 0.009504729 0.009276373 0.010342371 0.00894705 0.020206431 0.019874644 0.013354841 0.028087744 0.031894391 0.004662115 0.015481058 0.008026462 0 0.032186204 0.02966609 0.01915109 0 0.029436125 0.007386512 0.020657758 0.016989302 0 0 0.030679974 Lumichrome 0.022737826 0.233501053 0.021218396 0.019263702 0.007855362 0.023861572 0.056813618 0.015061936 0.023298233 0.014568534 0.003195816 0.034918443 0.02246591 0.026932314 0.027372511 0.018798736 0.041446234 0.055488838 0.049499732 0.020081453 0.090327513 0.010721064 0.008950221 0.026804229 0.007039699 0.014776811 0.013719127 0.029362374 0.015476948 0.122459613 0.018682081 0.017024142 0.018153806 0.003340218 0.03322234 0.005495932 0.027100044 Lysine 0.775427185 0.160809049 0.945560994 0.982872182 0.942457671 0.51666439 0.500132125 0.210918951 0.680862282 0.229038704 0.875454217 0.982362542 0.173662946 0.46993941 0.641670387 0.966130773 0.254184134 0.317025029 0.882932732 0.226783726 0.533490805 1.161581871 0.197614603 3.492328996 1.338225681 1.185146305 0.550967865 0.727887183 0.572158124 0.487668828 0.34258032 0.528396706 0.661505183 0.569649653 0.341389447 0.232995424 0.654423588 Malate 0.244458058 0.586976505 0.606551965 0.579689209 0.339902767 0.399808192 0.406122327 1.353454435 0.684300981 0.632706056 0.378462393 0.602564385 0.347591799 0.431273509 1.027304807 0.645237337 0.5701093 0.502682303 1.009762848 0.405784962 0.824126019 0.381414943 0.38486821 0.628217802 0.499637731 0.917949683 0.443307477 0.583156277 0.354093341 0.247403064 0.794786342 0.328636975 0.487255038 0.74728234 0.649642671 0.794015169 0.720393708 Maleamate 9.74E-04 0.0013636 0.001050963 7.47E-04 6.16E-04 7.57E-04 0.001690214 8.81E-04 6.07E-04 0.001157321 3.88E-04 0.004488704 5.23E-04 5.30E-04 0.001306121 0.001405702 0.001110517 0.00154019 9.02E-04 0.001589116 0.002254093 7.73E-04 4.27E-04 3.78E-04 5.50E-04 0.001373495 8.32E-04 0.001289463 8.00E-04 0.001702576 6.04E-04 6.53E-04 4.21E-04 4.91E-04 0.001178468 5.59E-04 5.26E-04 Maleate 0.039876875 0.039240032 0.00369139 0.023913103 0.026528061 0.07486052 0.067108598 0.092478233 0.066026494 0.04908335 0.040677616 0.071961479 0.105894375 0.066676591 0.084114439 0.060357745 0.076606001 0.174899953 0.071163395 0.069481843 0.114027408 0.053979014 0.045871971 0.034215096 0.074580392 0.049517268 0.039217661 0.091845127 0.056667422 0.093107946 0.061358942 0.052843888 0.112519286 0.077892138 0.059156799 0.031466504 0.03909381 Maleimide 0.001753989 0.002934196 0.001939782 0.001678448 6.95E-04 6.48E-04 8.81E-04 7.57E-04 0.001288518 0.001901532 7.06E-04 0.001363942 9.18E-04 4.52E-04 0.001111388 9.18E-04 0.001065271 0.001690441 9.69E-04 5.55E-04 0.002827267 7.05E-04 7.14E-04 9.34E-04 0.002146824 7.56E-04 4.00E-04 0.001386796 7.58E-04 0.001562515 0.001409667 5.75E-04 7.07E-04 0.001200335 0.001416813 9.72E-04 0.001082473 Malonate 0.001680777 0.001763622 0.001569814 0.001340961 0.003660064 8.48E-04 8.81E-04 0.001420417 9.32E-04 0.002858469 0.003859647 7.16E-04 7.58E-04 7.86E-04 7.59E-04 5.24E-04 0.001040066 0.004869097 0.00108866 4.63E-04 0.001166811 0.00662099 0.001019972 4.63E-04 4.53E-04 0.001980158 3.40E-04 9.66E-04 7.94E-04 7.24E-04 4.52E-04 0.001365496 4.80E-04 6.35E-04 6.81E-04 0.001132367 3.34E-04 Mandelate 0.015511564 0.006227751 0.003388942 0.200629099 0.027199177 0.013141819 0.014830857 0.004755719 0.322889956 0.003178994 0.019162512 0.007696981 0.019367612 0.112701238 0.012875977 0.004256342 0.004059311 0.003794666 0.015042341 0.004234796 0.013700093 0.255102202 0.054844471 0.248878618 0.059155349 0.004054645 0.018277674 0.005888304 0.009507825 0.008933664 0.029396591 0.003547445 0.010826136 0.020522577 0.003969926 0.00187787 0.002179126 Mannitol 0.008876518 0.004013117 0.005144605 0.008785881 0.021032945 0.008413655 0.005702632 0.008416361 0.015687118 0.002480292 0.034400612 0.00914391 0.00865417 0.004594647 0.00577388 0.010260012 0.019988625 0.005780103 0.008033207 0.004986179 0.007923061 0.011848097 0.019146152 0.014883466 0.063983994 0.011361619 0.011365367 0.007968384 0.005083616 0.005799834 0.016337387 0.002315639 0.008567075 0.0071529 0.003092784 0.076306634 0.002925582 Melatonin 0.030290912 0.007266511 0.010623467 0.015938069 0 0.009808409 0.042576439 0.006597775 0.005742017 0.155806451 0.001244787 0.037300197 0.009536191 0.007068555 0.052170636 0.036307119 0.165467947 0.066480458 0.707321802 0.002457616 0.005364106 0.001726131 0.001395934 0.002248002 0.001153389 0.003147358 0.088935164 0.005448542 0.095205407 0.055634782 0.009571216 0 0.014888503 0.002191965 0.086565812 0 0.01360929 Mesaconic acid 0.005306824 0.003094809 0.004742281 0.005828653 0.003417408 0.005713251 0.008698098 0.003541867 0.003514764 0.013962199 0.005609689 0.003133395 0.006717693 0.003226819 0.00517 0.002771011 0.004665911 0.007309998 0.005998518 0.005965471 0.00948457 0.010504661 0.00469691 0.013143501 0.005012167 0.003626847 0.002374695 0.004826968 0.006149246 0.00309593 0.002849467 0.002885926 0.004626378 0.002433223 0.006568654 0.00562319 0.003667863 Methionine 0.377755586 0.706067697 1.455975219 1.267387814 1.720757756 1.029162131 0.567819179 0.678655215 1.671207421 0.233417345 1.470180835 1.095571609 0.558152215 0.526451111 0.42988755 1.324979345 0.96438123 0.72678699 0.848786162 0.609953496 0.985719356 1.109570743 2.110567604 1.471193767 2.176813631 1.025690256 1.055493994 1.163258955 0.872439692 0.662416825 0.756417346 0.496177394 0.916426693 0.958603985 0.67748708 0.564869852 0.262892931 Methionine Sulfoximine 0.01046577 0.003398177 0.00612381 0.001202079 0.001718292 0.002353068 0.002027199 0.003319207 8.04E-04 0.001481569 0.002446132 0.001153791 0.002933685 5.83E-04 0.002831611 8.92E-04 0.003058802 0.001876565 0.002121289 6.91E-04 0.006465217 0.001814163 0.001867171 0.00350881 0.001062984 0.001057991 0.002214768 0.002074359 8.78E-04 0.001939329 9.63E-04 0.000926142 9.08E-04 6.70E-04 0.001104026 0.008685134 0.004301682 Methyglutarate 0.00410255 0.002849251 0.004159772 0.002917689 0.001389984 0.00135234 0.003871856 0.003223718 0.001120924 0.006567338 0.001952096 0.005429906 0.001639523 0.00291717 0.001688711 0.002216729 0.008838727 0.006755068 0.007767463 0.001143134 0.016360399 0.002049493 0.001759456 0.001660171 0.001496842 0.003560602 0.004009162 0.004259762 0.002960529 0.003682329 0.001581259 0.001841818 0.002933758 0.001918604 0.005800138 9.54E-04 0.003368207 Methyl 4-Aminobutyrate 0.149121829 0.120358984 0.214396502 0.135553041 0.046489232 0.08762473 0.066533242 0.079397047 0.078789607 0.262265047 0.041370409 0.070171884 0.070199071 0.046425301 0.073457138 0.066693393 0.148234046 0.177350249 0.086826827 0.056142438 0.366892111 0.081096181 0.045035978 0.036530562 0.057113798 0.080754377 0.107937014 0.128812254 0.090739526 0.082359822 0.047672763 0.061756376 0.120664925 0.059087977 0.139708382 0.105591365 0.767892195 Methyl Galactoside 0.002241799 0.001872468 0.004821109 0.004136958 0.022936817 0.021959726 0.010178782 0.029506201 0.022534686 0.004622059 0.010768556 0.033464143 0.02435343 0.008577868 0.006427319 0.003618401 0.005545367 0.005114111 0.010214762 0.024261025 0.01041419 0.020341348 0.005187105 0.019427109 0.003281659 0.048403012 0.008999538 0.006575303 0.001944018 0.008808044 0.00597768 0.009671799 0.005450637 0.014495592 0.004411463 0.001339728 0.003504693 Methyl Jasmonate 0.021916144 0.025378181 0.012495757 0.015800645 0.005727758 0.02274706 0.053286814 0.038909597 0.039941624 0.039450893 0.009801872 0.017298983 0.022418381 0.017673607 0.029159096 0.032428996 0.043004554 0.039171439 0.029804223 0.023823091 0.005111444 0.011654278 0 0.002271271 0.009674917 0.024628178 0 0.039288292 0.0205672 0.031409213 0.032008472 0.0047684 0.015016983 0.013151999 0.036130951 0.015958214 0.023046916 Methyl Vanillate 0.046968344 0.025859772 0.003846732 0.065241889 0.00679706 0.033687054 0.051723838 0.030393708 0.023458854 0.070521857 0.014251796 0.025874065 0.032607044 0.009720181 0.009640102 0.03197971 0.062246961 0.099682295 0.040951614 0.015759484 0.031533975 0.012438484 0.013108484 0.01460044 0.01618536 0.04272825 0.007124382 0.045622001 0.043105071 0.027212475 0.019695306 0.038396891 0.021211296 0.021777096 0.070021572 0.051987625 0.015368936 methyl-lysine 0.050159609 0.021867121 0.017657735 0.083727178 0.038360056 0.018150445 0.050959689 0.015434001 0.033585411 0.00323334 0.039489937 0.040974828 0.052472335 0.03124796 0.071081355 0.004846002 0.006534078 0.004427893 0.036567306 0.032510162 0.296110048 0.123113622 0.011619058 0.1259742 0.064726212 0.015397273 0.039625802 0.061834347 0.00686234 0.003260611 0.045920576 0.166034124 0.019887075 0.137349995 0.012062371 0.007179112 0.006010106 Methylarginine 0.011898132 0.003344299 0.019356011 0.022672012 0.020918809 0.00604583 0.015896327 0.018747177 0.014825434 0.00199054 0.0099943 0.005216183 0.017967049 0.011574966 0.017213193 0.004808286 0.006916666 0.00605276 0.010547121 0.01110716 0.004484655 0.009773045 0.008066863 0.081761631 0.055037947 0.03701382 0.016500247 0.002971923 0.003415332 0 0.027037827 0.010111503 0.007407847 0.009455874 0.006453892 0.005731513 0.004894517 Methylguanidine 0.001340966 2.91E-04 0.003265858 5.89E-04 2.15E-04 4.12E-04 0.001100729 0.002045033 4.92E-04 1.98E-04 1.99E-04 1.83E-04 2.87E-04 4.38E-04 5.20E-04 7.20E-04 0.003310332 0 8.00E-04 0.001604893 0.005657302 0.003340791 1.95E-04 0.001092479 1.33E-04 3.35E-04 6.11E-04 8.50E-04 5.78E-04 0.003461917 3.04E-04 6.70E-04 5.94E-04 2.89E-04 0.001804099 2.75E-04 0.00229774 Methylmalonate 0.004798575 0.003399999 0.00699033 0.007244182 0.001355834 0.002667251 0.0065898 0.003968428 0.00301962 0.005077017 0.003925451 0.002983148 0.002114406 0.001910564 0.001872912 0.007625845 0.004495416 0.004086394 0.005242558 0.001439548 0.016568795 0.004951315 0.002623407 0.005168474 0.001660119 0.003546199 0.003585436 0.006052514 0.002212223 0.004936012 0.00456529 0.005579267 0.005212238 0.002955306 0.005444611 0.003472598 0.002845369 Methylthioadenosine 0.009727619 0.010482448 0.032273769 0.005041847 0.001510564 0.004651275 0.0028777 0.00471834 0.00194995 0.015026851 0.002081953 0.003079223 7.17E-04 0.007475355 0.004863963 0.002829528 0.001758691 0.003467895 0.007028503 0.003248247 0.003513994 0.004285838 0.001695123 0.001597083 0.001977705 0.004031774 0.004955919 0.00533293 0.004293272 0.007072761 0.010676777 0.003050716 0.008059703 0.006370195 0.003303622 0.005654254 0.001700749 Mevalolactone 0.03536053 0.015493898 0.149497405 0.028419523 0.052740033 0.023482504 0.017045497 0.018359227 0.03200817 0.032297876 0.062094796 0.015069944 0.031684964 0.035869374 0.013579782 0.022042411 0.247587654 0.170080799 0.01543296 0.076421543 0.05573505 0.009346635 0.079496227 0.051095157 0.025097725 0.010848446 0.119387481 0.029744007 0.174011316 0.250986463 0.01462588 0.011429038 0.023395936 0.006571802 0.15817552 0.022049284 0.042693303 Mevalonate 0.018128679 0.026305959 0.014520933 0.033797275 0.029536832 0.038204374 0.018483227 0.38945555 0.179576361 0.023362847 0.016084232 0.031373393 0.020695995 0.03476105 0.020736243 0.013291921 0.024497218 0.031900225 0.019459182 0.220211473 0.036867098 0.021199084 0.208987576 0.007280764 0.059169734 0.049000663 0.007124555 0.022857323 0.014262082 0.008092866 0.043499073 0.038559645 0.01066459 0.017031738 0.015726823 0.025534481 0.008541486 Monoethylmalonate 0.034881602 0.019618174 0.005690844 0.021256667 0.007355588 0.018843065 0.010938181 0.013516394 0.00830427 0.042364688 0.00617223 0.008748914 0.0121157 0.008120604 0.006824773 0.009392402 0.029790073 0.039743362 0.013654395 0.006136091 0.015841231 0.004949648 0.008313164 0.006229959 0.003988045 0.019925856 0.003096709 0.019896666 0.011433498 0.007170763 0.004298123 0.014012019 0.007285782 0.010061631 0.035766754 0.035256353 0.010330542 Myo-Inositol 0.006449732 0.006166698 0.015736845 0.004272822 0.003740501 0.003702046 0.003007406 0.007314174 0.003168663 0.00561536 0.002867084 0.002323005 0.002633991 0.004609448 0.003009644 0.00292325 0.00294474 0.00529124 0.005551765 0.002309504 0.00379785 0.002366255 0.01474992 0.002683781 0.0016591 0.045675624 0.002521139 0.003291581 0.002070124 0.002714116 0.002139313 0.001577785 0.001837793 0.00284508 0.003401734 0.128650737 0.003546853 Myristic acid 0.768313175 1.689519132 0.517996143 0.62441715 0.805337805 0.504164445 0.477569773 0.381145739 0.339166999 1.079504456 0.207413239 0.26773481 0.411094147 0.559168412 0.853453224 0.434758848 1.107000989 1.243281318 0.853664244 0.232353315 1.114994026 0.218591255 2.958933013 0.30306993 0.600067425 0.853305339 1.382697132 0.693873763 3.554684514 0.556755246 0.424799597 0.834480163 0.32591231 0.284009314 1.945259934 0.634146343 1.39328893 Myristoleic acid 2.85E-04 0.030277005 0.023490222 0.02600121 0.010425989 2.67E-04 1.84E-04 3.43E-04 0.021725306 0.017813911 8.67E-05 0.004351136 0.019871892 0.016254169 0.033494254 0.019316956 0.016805325 0.02650367 3.24E-04 0.01188629 7.45E-04 0.01718323 0.080547515 0.016811286 0.02361867 1.98E-04 0.023678208 0.001962419 2.23E-04 2.08E-04 0.015671596 0.029982027 0.021152831 4.06E-04 0.020998257 0.00985701 0.022551716 N-Acetyl-L-Aspartic Acid 0.454547768 0.040254183 0.191637687 0.09061045 0.10291615 0.261314081 0.131558038 0.024929457 0.217723042 0.093868336 0.009313377 0.161782587 0.093955269 0.084489649 0.347703165 0.007574181 0.073502624 0.068904824 0.281257195 0.192238552 0.149866062 0.045580113 0.005615776 0.017309291 0.143107979 0.004519797 0.227986703 0.219448729 0.409843762 0.082630282 0.337099035 0.046407839 0.174145701 0.048637359 0.307221835 0.008732882 0.057653163 N-Acetyl-L-glutamine 0.088387004 0.030077519 0.008983602 0.052940721 0.035085304 0.00919615 0.011564682 0.023809352 0.029469082 0.023021269 0.019652392 0.01061929 0.012181332 0.01123355 0.013487668 0.021000452 0.035844236 0.020580727 0.035613033 0.022334036 0.106527965 0.018036138 0.062726705 0.015259918 0.071356783 0.009625647 0.018696248 0.05764922 0.03714048 0.022938488 0.025266989 0.014574399 0.015327361 0.016367601 0.028012835 0.005143318 0.013813063 N-Acetylalanine 0.016539138 0.008797332 0.024069496 0.012223869 0.008854979 0.010622819 0.007980896 0.011643333 0.015749097 0.016223698 0.008037224 0.010365133 0.005593641 0.009495297 0.007695392 0.007399897 0.008828967 0.007408458 0.005488073 0.010401627 0.020923124 0.014994756 0.010704876 0.019079453 0.005024134 0.00795419 0.006018034 0.008013791 0.006169643 0.004211717 0.007507085 0.005662145 0.00496257 0.005849907 0.007871411 0.017326558 0.003728593 N-Acetylasparagine 0.01602975 0.012953409 0.011467754 0.023708435 0.054196338 0.010968814 0.016616802 0.140293475 0.044735054 0.01802974 0.011556809 0.012773618 0.005521917 0.01108243 0.014007681 0.008659022 0.015617042 0.023315723 0.006647613 0.027399491 0.229744443 0.027194868 0.058516273 0.297048673 0.019224597 0.025971507 0.023876389 0.02977475 0.010280334 0.013873148 0.013532327 0.022484427 0.038981485 0.019045744 0.043481513 0.021990756 0.006473752 N-Acetylglucosamine 0.122613864 0.08680261 0.2789225 0.076429059 0.149400952 0.132619167 0.113058226 0.176391874 0.133361171 0.032048882 0.179413055 0.042357623 0.080925862 0.077093212 0.049898248 0.038108594 0.124544172 0.112749383 0.048893674 0.241191155 0.034164367 0.067608791 0.604201706 0.108877883 0.210111346 0.611966456 0.032541676 0.166802743 0.057488794 0.117516129 0.160747791 0.046773563 0.153020753 0.118260682 0.053936339 0.009476466 0.043975234 N-Acetylglutamate 0.006301091 0.001362713 0.006375364 0.005089742 0.002686935 0.002165999 0.003957502 0.005720059 0.004281828 0.003682147 5.21E-04 0.005965152 0.002587212 0.001747933 0.004130851 0.0026757 0.004125195 0.004570546 0.007200625 0.001944315 0.006647942 0.001653889 0.001650381 0.003063842 0.001194908 0.001727472 0.003023716 0.009974719 0.002328545 0.004746165 0.002454797 0.006957927 0.006767965 0.001573888 0.009465569 0 0.0057098 N-Acetylglycine 0.00320687 0.001967321 0.001269426 0.003053346 0.002035662 0.003560923 0.002445124 0.002587201 0.001585369 0.005207752 0.001772739 0.001402472 0.001310798 0.001146764 0.001789444 0.001115376 0.002615708 0.003594411 0.001599043 0.001366567 0.005341632 0.002846678 0.003040169 0.002555914 0.001060617 0.001535686 0.001122367 0.001914099 0.001429786 0.001067988 0.00183835 0.001528552 0.00106957 0.001176389 0.001812332 0.002814137 9.31E-04 N-Acetylleucine 0.029422414 0.034929543 0.031094612 0.018004045 0.025961785 0.028292211 0.015096128 0.024569726 0.101085767 0.013053963 0.017845383 0.012514778 0.013930133 0.015385368 0.016822973 0.020911191 0.03523271 0.015045994 0.019244035 0.080170612 0.076706563 0.026581586 0.034278047 0.019020188 0.026629348 0.003547452 0.022213283 0.010728733 0.003125262 0.010696871 0.026224509 0.039646904 0.009877861 0.017723729 0.013716884 0 0.006382016 N-Acetylmethionine 0.021330518 0.015987626 0.061357507 0.040556555 0.002346751 0.032804616 0.029901028 0.013901782 0.015009897 0.013272296 0.011559847 0.109717401 0.038385063 0.011087771 0.016317523 0.065063362 0.070933675 0.052382666 0.029173367 0.022323726 0.02498361 0.025828422 0.006375676 0.005559759 0.011386814 0.012593013 0.019226787 0.037981673 0.033227229 0.01576271 0.02320624 0.038991068 0.040039504 0.039087372 0.033504914 0.019613218 0.030690319 N-Acetylneuraminate 0.004094885 0.003057047 0.014959644 0.005777952 0.015792264 0.027567878 0.007449963 0.014367286 0.00337968 0.001413377 0.022653171 0.029832404 0.004987775 0.007688666 0.005362661 0.001289377 0.005250463 0.004024268 0.003593381 0.010334294 0.002530352 0.00182593 0.158670621 0.010886859 0.01551845 0.024850873 0.002918487 0.015113917 0.001765095 0.012393019 0.033269766 0.001088947 0.013875466 0.00861251 0.003919428 0.010989233 0.001596057 N-Acetylphenylalanine 0.007038001 0.010846441 0.030461776 0.009567155 0.015472626 0.035980924 0.008497358 0.016306764 0.080803777 0 0.015562577 0.01154342 0.013414415 0.02178894 0.011348693 0.013333093 0.011609905 0.00767344 0.021167895 0.058534153 0.024194345 0.00638953 0.019308778 0.007174691 0.074123777 0.004299756 0.00513168 0.0122806 0.007946466 0.017381507 0.012305646 0.025852775 0.006599474 0 0.016243889 0 0.004144205 N-Acetylputrescine 0.08692049 0.53192226 0.258081101 0.814749309 4.692975698 5.083310931 0.43244507 1.954989739 13.03266692 0.074441118 4.741177234 0.112056746 6.550768515 4.848109101 1.055753248 0.012189026 0.15075362 0.051822694 0.075261084 2.539346145 0.056889939 5.077276835 2.77270646 9.072027047 13.60822362 0.465439276 0.095026197 0.118632241 0.080680009 0.053506176 2.400802881 13.08104039 0.351727146 8.544744788 0.056427221 0.046527513 0.036321195 N-Acetylserine 0.006023153 0.004355755 0.005342507 0.008503379 0.021644552 0.011716906 0.006012107 0.010989034 0.011247534 0.009277227 0.003044523 0.013736493 0.005283481 0.006917436 0.005704456 0.004441889 0.00999813 0.007016676 0.004823831 0.005058605 0.107980266 0.022956147 0.035531941 0.026707538 0.006103984 0.00567075 0.002531779 0.006201316 0.003539672 0.010807052 0.005875681 0.004126326 0.004899753 0.003474921 0.004004729 0.003623733 0.004059033 N-Acetylserotonin 0.009100955 0.006021555 0.017684729 0.006079183 0.0018424 0.001882145 0.008551322 0.002306675 0.001823813 0.007582808 3.45E-04 0.047541526 0.003578305 0.008036404 0.012855453 0.005629797 0.009141037 0.012877085 0.013985109 0.002313432 0.009030727 0.002269765 0.004845619 0.003574259 0.002202763 6.60E-04 0.005759916 0.015930197 0.00542591 0.047379385 0.004702478 0.002632375 0.003246877 0.007165154 0.008633 0 0.004868493 N-Acetyltryptophan 0.016586962 0.006544817 0.017127123 0.032749327 0.010186891 0.005513721 0.008125583 0.010206375 0.022664317 0.00791644 0.016754898 0.016545027 0.00702386 0.012316373 0.006833027 0.008884266 0.019434919 0.021013543 0.012446424 0.008457089 0.013895029 0.011844962 0.030520082 0.00856349 0.030667384 0.042256965 0.018769897 0.029554287 0.023250033 0.012708496 0.011313274 0.012153262 0.019796021 0.010764423 0.012045331 0.003197184 0.006592844 N-Alpha-Acetyllysine 0.647316481 0.125185297 0.445627606 0.453308021 0.088320846 0.408230246 0.279907735 0.372971145 0.567385235 0.440293934 0.145027534 0.471095792 0.178019626 0.377736108 0.391956296 0.214265603 0.150347778 0.316072642 0.507320465 0.215551428 1.034197358 0.515157845 0.091106012 0.774735053 0.374100612 0.045018244 0.129617563 0.408405937 0.242890563 0.383115904 0.191032919 0.328636975 0.742176547 0.29967189 0.29075182 0.008850189 0.411653548 N-Butylbenzenesulfonamide 0.551607979 0.393477762 0.620925027 0.405721188 0.119286377 0.269937261 0.309716343 0.229472254 0.234917199 0.967649888 0.139896136 0.212236747 0.240684177 0.300404306 0.264550429 0.211540021 0.505009122 0.963993486 0.340353021 0.169535743 0.527503279 0.244576133 0.123067671 0.158736737 0.158603684 0.359973112 0.145065745 0.436111621 0.269122887 0.272541794 0.193651077 0.185739412 0.228968487 0.250078957 0.45201701 0.394454796 0.266519284 N-Formyl-L-Methionine 0.091995364 0.063833883 0.003852626 0.085240722 0.132226914 0.018726594 0.009563171 0.011546449 0.032222396 0.183328205 0.007608322 0.010146134 0.011488023 0.002810464 0.006983988 0.014372925 0.03202425 0.087024553 0.021462667 0.00445272 0.022343225 0.007833774 0.007093721 0.012728095 0.011812317 0.012163385 0.004733922 0.015279499 0.018615733 0.006346477 0.00442406 0.010672505 0.007539827 0.010404853 0.009234937 0.063518284 0.003674575 N-Formylglycine 0.005406435 0.005333715 5.89E-04 0.006454691 0.001739103 0.004435277 0.004521 0.004478027 0.003194546 0.01760864 0.002793964 0.003990043 0.004603882 0.001222208 0.001185887 0.003969952 0.00972219 0.013546583 0.006190444 0.002106921 0.009237809 0.002022503 0.001624199 0.002436556 0.001849393 0.004313659 0.001703694 0.006034505 0.005337874 0.00401537 0.001551528 0.00459989 0.002699274 0.003591615 0.005997016 0.005160925 0.002039782 N-Methylaspartate 0.017673686 0.005923679 0.039760659 0.011109387 8.76E-04 0.003167641 0.002815567 0.00219044 0.001628767 0.021157451 0.001050804 0.003193015 0.001744551 0.002012651 0.002752304 0.004259596 0.006646262 0.006830864 0.004724594 9.75E-04 0.00787765 0.002097993 0.001957092 0.002380787 0.001419306 0.00244867 0.001680574 0.008246318 0.005926729 0.002628945 0.002043489 0.002951589 0.001758904 0.00195751 0.014174581 0.011570832 0.003181262 N-Methylglutamate 0.244057069 0.031244163 0.097071686 0.060697123 0.012799339 0.026549677 0.043211854 0.057562893 0.023814344 0.0571992 0.019594226 0.077069547 0.02453503 0.028944253 0.036013186 0.013800829 0.025509453 0.070173048 0.108805882 0.026510322 0.091451343 0.013695274 0.021215619 0.007838039 0.014355463 0.022679169 0.071027002 0.097117773 0.051796991 0.057620604 0.0437088 0.037229881 0.206853294 0.045624536 0.123850044 0.015174491 0.050747189 N-Methyltryptamine 5.59E-04 0 4.76E-04 6.68E-05 9.47E-04 0 0.001676203 0 4.06E-04 5.26E-04 0 0.001495162 7.39E-04 6.32E-04 0.001202872 0 3.11E-04 5.14E-04 3.49E-04 0 0.004334975 0.001067864 0 8.39E-04 0 0 0.001407276 0 2.36E-04 0.002517392 4.60E-04 0.002292451 8.23E-04 3.71E-04 4.10E-04 0 0.001075605 N6-(Delta2-Isopentenyl)-Adenine 0 0 0.031806641 0.017889256 0.006412586 0.00362352 0.016244431 0.013971785 0.013532878 0 0.001398543 0.003215468 0 0.002192132 0.008527571 0.00347414 0.006907946 0 0 0 0.030708715 0.009355372 0 0.005539787 0.002792535 0.010011389 0.00821986 0.006227409 0.003525884 0.009993138 0.003821205 0 0.010021485 0 0.003435538 0.03527615 0.005925825 NAD+ 0.123824276 0.023968295 0 0.009642857 0.001845946 0.005122614 0.003532863 0.002349534 0 0.069472849 0.001468259 0.002116291 0.001657918 9.58E-04 0.001530511 9.77E-04 0.006643703 0.006238626 0.003710627 0 0.016028948 0.002176371 0 0 0 0 0.004292179 0.018149469 0.01309348 0.006917175 0.002915966 0.002698164 0.002699689 0.00186738 0.006626539 0.043328081 0.001867387 NAPQI 0.025570834 0.028196007 0.020285414 0.071018157 0.005891271 0.01962899 0.01748519 0.014426523 0.01118693 0.038300062 0.008945747 0.018459325 0.017631403 0.010989994 0.010524859 0.019723407 0.034589757 0.054008204 0.025587575 0.009295618 0.019634396 0.01056955 0.011144158 0.008064409 0.007893867 0.017240828 0.00828233 0.028077737 0.016498877 0.016177644 0.009576648 0.013299904 0.016703787 0.010872908 0.035017285 0.017374177 0.011314873 Nervonic acid 0.012731717 0.007508933 0.026392029 0.01924768 0.001721776 0.002844167 0.009791512 0 0.001127691 0.00835829 0 0 0.012896011 0.005151599 0 0.001428776 0.001477373 0.030406517 0.011518338 0 0.047570052 0 0 0 0 0 0.00975819 0.016392291 0.01320655 0.013032144 0 0.007381796 0.003530949 0.016570103 0.038153577 0.001533799 0.013381296 Nicotinamide 0.005011844 0.236022333 0.006005816 0.002951025 0.010930211 1.099995152 0.458767814 0.155501485 1.121015677 0.00573774 0.109076902 0.861849665 0.491307639 0.151523502 0.043735648 0.003880042 0.04421995 0.015151932 0.008572557 0.20418838 0.028765657 0.448286394 0.304170037 1.021606586 0.512191443 0.217091556 0.003348454 0.030662091 0.003156622 0.014843731 0.005201704 0.547728292 0.015145291 1.840642157 0.007861576 0.019269824 0.005197725 Nicotinamide Mononucleotide 9.55E-04 0.001557427 9.63E-04 0.001758609 0.001787342 0.001981787 0.007709786 0.023829159 8.38E-04 0.003195067 0.004966272 0.003636244 0.001264868 0.006849815 0.022505685 3.56E-04 7.45E-04 6.04E-04 4.63E-04 0.011673396 0.001705311 7.82E-04 0.007095825 4.20E-04 0.002110756 3.88E-04 0.001439826 0.010585795 0.003062648 0.011708953 0.006488211 4.30E-04 0.001277159 0.001385852 5.91E-04 0.001338496 5.14E-04 nicotinamide N-oxide 0.967505479 0.481125238 1.392209881 1.416111894 0.533029339 0.159321315 0.073609341 0.133241337 0.711810568 0.062394507 0.071682782 0.620823912 0.20927451 0.07448264 0.091634516 1.09724852 1.310743503 0.805522601 0.507320465 0.074600657 1.769447041 0.567168973 0.071193 0.62018946 0.592535198 0.060111757 0.466528345 0.430081942 0.75476178 0.613649942 0.408355741 0.209352835 0.58083382 0.707468117 0.764688388 2.398032391 0.44595801 Nicotinate 0.077860194 0.070778525 0.502399814 0.104698474 0.023388203 0.050482826 0.053839234 0.095037131 0.099216023 0.142137445 0.026254548 0.042396541 0.04850133 0.100795175 0.067801004 0.047570876 0.089164211 0.141371028 0.151431842 0.041677712 0.092087036 0.0700429 0.066308494 0.029960779 0.240202305 0.158541631 0.059998686 0.087421631 0.08428831 0.099204475 0.111730869 0.064324077 0.248268413 0.097703214 0.180436157 0.1631283 0.053578088 Nicotine 0 0 0.003111677 0 0 0 0 0 0 0.006356859 0 0 0.006877361 0 0.020724218 0 0 0 0 0.003747585 0 0.004194457 0.002776579 0 0 0 0 0.001241784 0 0.005782404 0 0.005021351 0 0 0 0 0 Nonadecanoic acid 0.019327897 0.041154611 0.010859241 0.023658305 0.001278495 0.024759999 0 0.006560654 0.004775473 0.022114174 0.001001836 0.008786976 0.003076164 0.002275399 0 0 0.012700929 0.027605255 0.003464434 0 0 0 0.008594198 0 0.004771173 0 0 0.004446247 0.011949853 0.014347075 0 0.022547517 0 0.020941207 0.04091772 0.014052202 0 Nonanoic acid 1.963467002 0.977147259 0.029586092 1.493707066 0.270377201 0.774996585 0.816005045 0.732639153 0.505488664 2.617577945 0.463720405 0.427272927 0.718579199 0.235497339 0.192331562 0.469263518 1.697854278 2.045107675 0.926835465 0.344534402 1.018038024 0.3640779 0.320723508 0.297048673 0.301289084 0.909330437 0.131686649 0.884348913 0.551868829 0.625841663 0.216373897 0.525174774 0.367861419 0.419580658 0.999461138 3.458495603 0.279713308 Normetanephrine 0.001982853 0.002113328 0.002057199 0.002487785 6.33E-04 0.001376774 0.001746276 0.001430781 1.12E-04 0.001629412 2.37E-04 0.001140136 0 0.001014113 0.001328114 0.001619966 0.005847598 0.003289468 0.002191074 3.46E-04 0.004552944 0.001174267 7.20E-04 5.97E-04 9.56E-04 0.001144283 4.20E-04 0.001872314 0.00126131 0.002013965 0.001855574 6.61E-04 7.07E-04 8.31E-04 0.005419381 1.87E-04 0.001649391 Norvaline 0.576959067 1.033884842 1.243424093 0.847080631 2.452707463 1.758325584 0.458767814 1.39201439 1.141647868 0.36803528 1.303823739 0.639083438 1.00266865 1.234334526 0.774429778 1.069644784 1.025503984 0.496046353 0.551223197 2.883880547 0.595522054 1.513276169 2.979624852 1.140024638 2.081405421 0.680920422 0.502415141 0.734689867 0.404703706 1.121638305 1.515575335 0.315590091 0.532431001 0.309325887 0.629748736 0.756712443 0.197619092 O-Acetylserine 0.018044451 0.015813066 0.016066883 0.019139827 0.004543684 0.013020032 0.006881373 0.023467091 0.004394591 0.050062186 0.00146062 0.004921271 0.007144608 0.007384567 0.004960081 0.001802791 0.008673453 0.008034546 0.007200228 0.005120793 0.00763335 0.002870763 0.010018151 0.002063024 0.002485559 0.005750494 0.003722083 0.008786314 0.007092766 0.006775893 0.00749555 0.004076446 0.006162682 0.00740313 0.006499598 0.003960892 0.002983795 O-Succinyl-Homoserine 0.005582142 0.006687196 0.003926552 0.009296873 0.01192571 0.022526478 0.013503621 0.013131347 0.006965671 0.010740459 0.002217245 0.011174016 0.008178141 0.016598867 0.003581538 0.002827076 0.004254936 0.014207573 0.004727452 0.010839607 0.031472306 0.006307638 0.004610844 0.006902638 0.004733548 0.009063132 0.007991193 0.00819997 0.006746403 0.002994167 0.008709454 0.007687106 0.002206355 0.030962705 0.00504903 8.94E-04 0.002477338 Octanoic acid 2.176887328 0.590823164 0.329514862 0.743620401 0.623798827 0.670830377 0.53021526 0.547551367 0.395450316 1.575284465 0.251615108 0.339204744 0.387698545 0.164186089 0.143098616 0.465813051 1.276786417 1.657708424 0.600004011 0.205578224 0.824126019 0.257578922 0.219333496 0.151788585 0.211792593 0.521464374 0.080771684 0.755097918 4.139016215 0.816845287 0.152465985 0.357634356 0.286984798 0.277687114 0.885428659 3.890141434 1.881467817 Oleic acid 2.006151067 3.152087932 4.123491862 9.24675803 2.259580892 4.833312033 3.391873507 0.798191077 2.878190558 5.851056583 0.85465958 18.91686978 2.499987168 1.656685135 1.80805646 7.867064862 2.404161658 5.243403819 8.780546508 2.628669879 2.044155714 1.401823751 2.958933013 1.655845645 2.475591973 3.775229683 3.44091042 7.619006023 7.831667936 7.477588701 1.770455093 8.666994744 7.486302563 4.440817183 9.256754167 0.7353966 11.10936817 Oleoyl-Glycerol 0.011801324 0 0.006738536 0.005159031 0.011584557 0.003777053 0.017956352 0.002226992 0.002593727 0.00386078 0.004824639 0.002420078 0.002167063 0.002435196 0.011116524 0 0 0.026931863 0.002644376 0.008190618 0 0 0.014063328 0 0 0.001603378 0.008218801 0.019394658 0 0.008666737 0.009588885 0.017507521 0.017255422 0.003117627 0 0.00499835 0.001655312 Omega-Hydroxydodecanoate 4.47E-04 0 0.001818958 0.041653943 0 0.017367648 0.016485568 0.014677314 0.011969353 0.028009787 0.007644218 0.023157916 0.015569548 0.013126451 0.002920735 0.034729244 0.019459456 0.017579742 0.033913926 0.017777382 0 0.012335238 0.00899944 0.007535491 0.01028693 0.015298285 0 0.031137104 0.001432935 0.010660801 0.016535682 0 0.01713007 0 0.031265616 9.83E-04 0.030459046 Ophthalmate 0.006966854 0.005208655 0.036166923 0.00576315 0.006577106 0.008342723 0.005177023 0.016224388 0.005764139 0.001892328 0.010681254 0.008024602 0.006305243 0.009895001 0.04605766 0.013522528 0.016724411 0.011326991 0.010087304 0.047277031 0.017547727 0.00990281 0.013140413 0.012284705 0.005177285 0.013135117 0.01505856 0.009557066 0.003161441 0.027746867 0.011960453 0.007781522 0.048424337 0.004488991 0.067363798 0.019471154 0.03126483 Ornithine 0.047096548 0.025476545 0.273289761 0.176511025 0.195057838 0.018404122 0.092217342 0.017409909 0.10598411 0.008059374 0.06623584 0.09139965 0.062208621 0.048022183 0.061896313 0.02855798 0.019872586 0.048837701 0.062370142 0.045424791 0.116140328 0.097362124 0.007453881 0.287013245 0.195861085 0.215499561 0.062637692 0.072985591 0.098889711 0.06039598 0.093018718 0.037498443 0.073645905 0.063979785 0.048212816 0.086868128 0.083086613 Orotate 0.030970597 0.004054458 0.009018156 0.028141511 0.051180814 0.005900645 0.013590823 0.017206635 0.044237919 0.001559234 0.005400891 0.050450102 0.015696267 0.008087748 0.023631898 0.007841566 0.041322384 0.053836261 0.047147335 0.0330869 0.014905432 0.016724568 0.008854333 0.010360037 0.011832328 0.016314181 0.065824329 0.041160596 0.018886553 0.048309755 0.0299596 0.011295589 0.095455729 0.015913928 0.018201084 0.001511418 0.029962025 Oxalate 0.042513708 0.052399695 0.026266337 0.089922635 0.010713353 0.056239494 0.028584146 0.048255596 0.039472023 0.109104084 0.031460755 0.024250749 0.045337206 0.033944286 0.015399112 0.018398531 0.06062689 0.069908152 0.039123594 0.01647009 0.017683559 0.002867359 0.01167027 0.028603021 0.007759732 0.038545963 0.009359969 0.079966847 0.029413458 0.024031945 0.007160359 0.035898558 0.022532084 0.037616363 0.11237562 0.085302169 0.026537406 Oxoadipate 0.003662706 0.003707436 0.001344524 0.007605414 0.002231968 0.005088042 0.005811743 0.003786416 0.003208152 0.004458305 0.001862172 0.003435028 0.003778826 0.003454065 0.004545888 0.002169541 0.003399897 0.012275656 0.00317086 0.004941424 0.005460055 0.004500204 0.003450736 0.007716801 0.002313511 0.004315991 0.00243321 0.004124832 0.002074352 0.003199024 0.002115851 0.003388092 0.00244843 0.003972436 0.003272355 0.003106123 0.001698042 Oxoglutarate 0.004812419 0.005918468 0.001877199 0.008764042 0.003954947 0.004811311 0.003295527 0.005393494 0.005395982 0.007084431 0.004157892 0.00265596 0.003873997 0.003521829 0.002306507 0.002516086 0.006566563 0.009188251 0.004269466 0.007435144 0.00883589 0.002608666 0.002372985 0.005984014 0.00148735 0.008720473 0.001949534 0.006510359 0.002451398 0.003071017 0.002200455 0.006717507 0.001591347 0.004223645 0.006572965 0.00341705 0.001541933 Oxoproline 0.075736898 0.014391463 0.039932118 0.022660545 0.004251521 0.06702973 0.014606838 0.018081278 0.013379463 0.024789745 0.01264322 0.039978063 0.008960152 0.009161335 0.012989966 0.021079125 0.045478473 0.016768196 0.040194407 0.012624288 0.038865554 0.104217304 0.045131306 0.010846744 0.018105893 0.012068689 0.030186781 0.024450676 0.009053171 0.037360109 0.017107198 0.008676067 0.037210733 0.012757828 0.019240909 0.072893346 0.024134662 P-Octopamine 0.005715211 0.002445115 0.004115755 0.003050044 5.77E-04 0.002087952 0.001724901 0.001169333 0.001019613 0.005061065 0.001926152 0.002428687 0.001783488 0.001147622 0.00130428 0.002078337 0.003613763 0.004705519 0.002955409 0.001060348 0.004443088 0.001244795 5.81E-04 0.001616276 9.69E-04 0.001514912 6.17E-04 0.003460455 0.001513567 0.002167957 0.001587492 0.001979796 0.001636753 0.001842493 0.00355187 0.002934619 0.001339593 Palmitic acid 10.17303555 18.84948583 5.218130166 7.048228149 2.742397321 8.541629024 6.806309365 4.897114337 4.263986011 12.19957142 3.139990185 4.053614952 4.812809521 8.179325171 2.822717516 3.726504409 12.83577834 17.20773418 8.634204066 2.909401614 6.940433829 1.708937081 3.062392209 2.930345019 3.314179923 16.6351445 7.177359159 11.76864323 8.156296659 9.997210981 2.655682639 12.11446105 3.775419827 7.962844605 19.18428762 7.300676389 3.826266949 Palmitoleic acid 0.436581087 0.134888352 0.41847503 0.28621924 0.135043082 0.101664827 0.122152097 0.102795474 0.172558385 0.195672552 0.118668341 0.21463617 0.611627877 0.27107289 0.220888726 0.301178372 0.170318433 0.178613693 0.184810625 0.196160847 0.143678897 0.172207491 0.477981487 0.220779419 0.247294507 0.067516393 0.165438955 0.496829805 0.198044221 0.147836416 0.326136464 0.198329242 0.310525634 0.29155388 0.155457496 0.074422093 0.630674345 Palmitoyl-carnitine 0 0 0.011752523 0 0.026412396 0 0 0 0.001243788 0 0.012450241 0 0 0.015513852 0.010066312 0 0 0.012123718 0 0.011537209 0 0.035495607 0.025575558 0.018016994 0 0.019695976 0.001366209 0.019690877 0.009858469 0 0.012362022 0 0 0.016952693 0 0 0.017858129 Paraxanthine 0.00661318 0.004243703 0.011379842 0.003921165 8.12E-04 0.004530869 0.008180651 0.002567243 0.006684513 0.006536182 0.001301486 0.012142042 0.010493634 0.002263495 0.00794936 0.002155799 0.005193395 0.006520374 0.01245137 0.001781102 0.029323224 0.00172223 0.001766804 0.002034191 5.10E-04 0.002133224 0.004310242 0.005081127 0.004192295 0.009863545 0.002793183 0.001761121 0.001899033 0.001883372 0.004337048 0.00132539 0.002538571 Pentadecanoic acid 1.401460143 0.525297209 1.466602776 0.439589878 0.115855495 0.520831038 0.436205462 0.551407362 0.216406409 0.622704733 0.245376716 0.339520962 0.370987401 0.339070207 0.414082861 0.869517695 1.344700588 1.828884837 1.380497034 0.168139866 2.270386386 0.046402794 0.45315128 0.939316075 0.55236332 0.316286058 1.680346438 1.272101899 0.616794573 0.894059519 0.852339836 0.518730912 0.587287529 0.777908665 1.583039118 0.135224701 0.736226537 Pentanoate 2.475675785 0.661938466 1.796057023 1.926946778 0.307071249 0.147030715 1.135638358 0.832895037 1.227615327 0.914191458 0.295283845 1.066356366 0.329903083 1.032082122 2.339094022 0.993734509 2.451701578 1.126160614 0.965860116 1.408762887 1.761367374 1.109570743 2.317485996 0.383353355 1.694751097 0.055922217 2.448746066 1.027205276 1.436482098 2.92601297 2.850268261 0.663717813 1.845760804 0.624777038 0.93238321 0.148688459 0.841778729 Phenylacetaldehyde 0.011023749 0.064767512 0.026580239 0.123955458 0.001798664 0.074921475 0.021002386 0.005786233 0.082207715 0.00140152 0.004248359 0.004681312 0.093961522 0.186364021 0.001817393 0.001927095 0.001353099 0.007494419 0.007226021 0.115005466 0.001529247 7.80E-04 0.039876435 0.087928233 0.002236633 0.004688955 0.001568252 0.136983481 0.010323421 0.00432086 0.00951608 0.024803792 0.009358806 0.034457183 0.001554381 0.00157341 0.002232987 Phenylalanine 0.24902859 0.386056656 1.232796536 0.982872182 2.81964795 2.454155851 0.308579283 0.910014948 1.540536882 0.178407316 4.470846953 0.639083438 1.737958994 0.321224407 0.225876562 1.24906907 0.801387219 0.373802672 0.565857442 1.840068915 0.781551546 0.616703381 4.262518886 1.027627842 7.0049712 1.159288567 0.789509507 0.700676447 0.511290238 0.354843169 1.183957585 0.221454087 0.474347619 0.548211225 0.420780285 0.820659974 0.284990918 Phenylethanolamine 0.004058924 0.002073373 0.00189487 0.002594506 7.89E-04 0.001665039 0.001604029 0.002458584 0.001322889 0.002600532 7.68E-04 0.002443217 0.001721226 0.001425881 0.001820826 0.001087287 0.002271291 0.003441022 0.002123997 0.001380695 0.002739824 0.001034691 0 8.89E-04 0.001040762 0.00173869 0.001622182 0.00298956 0.002523044 0.002036019 9.61E-04 0.00211709 0.00206472 0.00120425 0.002176448 0.001815326 0.001278165 Phenylpyruvate 0.062723075 0.06191162 0.002709127 0.067104896 0.012995275 0.045894011 0.029234164 0.027159977 0.021763986 0.107957922 0.018625353 0.023319867 0.050788948 0.017108136 0.012526442 0.032048984 0.085504931 0.14728326 0.048019217 0.010987018 0.073650753 0.016872276 0.013589747 0.023485169 0.025606412 0.052628095 0.008804595 0.093340354 0.049660201 0.019522701 0.01185867 0.031237448 0.026200955 0.022823709 0.089520957 0.050085755 0.016755649 Phylloquinone 0 0 0.002431604 0 0 0 0 0.002380999 0 0 0 0.005349301 0.007453415 0.012019469 0.010894573 0 0 0 0 0.009603345 0 0.007990878 0 0.002665852 0.007171159 0 0.003287067 0 0 0 0.013421945 0 0.003333997 0 0 0 0.0042006 Picolinate 0.001477147 0.001108124 0.001873619 0.001663742 8.40E-04 0.001415243 0.001240528 0.002771824 0.00109844 0.001929088 6.45E-04 0.001483155 9.48E-04 0.001159891 0.001032164 9.24E-04 0.005177319 0.002157368 0.004277154 0.001796184 0.002987325 0.001273979 9.25E-04 0.00101002 0.001705575 0.001279077 0.001053555 0.004420217 0.014431308 0.001588837 0.001392795 0.00154768 0.001925597 0.001196014 0.001207274 0.001068765 9.09E-04 Pipecolate 3.0092266 0.706067697 0.186218939 1.228590228 0.166685524 0.533330983 0.898733668 0.458863469 1.186350947 0.540851468 0.0871253 1.296426404 0.491307639 0.826855417 1.621561126 1.293925142 7.674301338 0.531698238 1.473180581 0.428753922 4.540772773 1.067466496 0.145998704 0.712515399 0.200099955 0.089884378 1.823893622 2.564611849 0.527521674 2.548069628 0.655013572 0.815148576 2.358830678 0.520647532 0.081300023 0.029170883 1.324680006 Pregnenolone Sulfate 0 0 0.002358889 0 0.012042664 0.032607393 0.02073739 0 0 0 0 0.035136149 0.017759961 0 0.011328821 0.02065775 0 0 0.01079004 0 0.082231638 0.040411015 0 0.022699997 0.006364082 0 0.018976966 0 0.006282781 0 0.030183213 0.004189273 0.014078827 0 0 0 0.025840602 Proline 1.501056295 0.718676049 3.411445587 2.386051548 6.237988273 4.208314787 1.842592038 1.700494033 1.155402661 0.626511639 5.718525172 2.822922845 0.922455158 1.100491023 1.308628277 2.915644653 3.042554867 2.117181954 1.843914767 1.39855446 1.381623032 1.292848053 2.065045557 1.778277868 1.534063585 1.107573092 1.996994637 2.755086999 1.675895781 1.853141548 2.162366979 1.037461824 2.174899969 1.960084826 1.864766419 1.854478382 1.20065618 Propionyl-carnitine 0.005349669 0.002907739 0.010810792 0.024608629 0.004684525 0.004574235 0.006638625 0.005271801 0.002435144 0.006755915 0.001538148 0.00917353 0.003415079 0.004377552 0.036955909 0.004383488 0.016027239 0.017274283 0.007160493 0.002663729 0.01748407 0.003414973 0.001438264 0.00281518 0.001048067 0.008885628 0.008054027 0.01269935 0.006626663 0.021510029 0.004882658 0.004375899 0.02118743 0.001995553 0.015474248 0.093481769 0.010156392 Protoporphyrin 0.032110033 0.020544551 0 0.041019087 0 0 0.00309762 0.025401272 0 0.227836373 0 0.118203695 0 0.053904781 0.013339176 0.024900952 0.036237087 0.021546878 0.036241553 0.012878856 0 0.003650863 0 0 0.007023112 0 0.041979515 0.037114384 0.06154301 0.011966363 0.113271123 0.088681327 0.173821999 0.026060124 0.024356743 0 0 Pterin 0.009295411 0.005549816 0.009817252 0.002455598 0.001095693 0.004281793 0.002263657 0.002049974 0.003840132 0.006460941 0.00228148 0.005803975 0.001843754 0.001354975 0.002129921 0.007136938 0.006576282 0.011008438 0.00566543 0.003382374 0.021503078 0.003036011 0.003472159 0.002217298 0.00529816 0.001952407 0.00456031 0.005937261 0.007456688 0.005961319 0.002950727 0.002457379 0.007006094 0.002357438 0.00444828 0 0.003020225 Purine 0.004007729 0.002425223 0.00709518 0.00233571 0.001489843 0 0.001509172 0 7.89E-04 0.004498847 0 4.47E-04 0.001862686 0 0 5.79E-04 0.002623431 0.002119339 0.001577997 0 0 8.37E-04 0.001744826 0 7.62E-04 0.001370668 0 0.004200993 0.001915777 0.003822743 8.42E-04 0.001209893 0 0 0.00322332 0.004729902 2.06E-04 Pyridoxal 0.054128822 0.044722204 0.166301208 0.076909406 0.010212512 0.1294265 0.111075862 0.070373682 0.097874834 0.086998198 0.038742898 0.149146113 0.10444757 0.098666683 0.050296209 0.129942444 0.230625687 0.337278475 0.215838857 0.051759568 0.179871404 0.031127471 0.040294803 0.031938193 0.057918022 0.118037211 0.049512665 0.241484934 0.109733173 0.098695424 0.072134241 0.080800323 0.085335838 0.07444508 0.248716084 0.097046301 0.085608524 Pyridoxine 0.077767058 1.159968359 0.113297127 0.048165997 0.024817395 0.047879167 0.080616058 0.044753694 0.04673562 0.069951942 0.017837029 0.051803115 0.044282724 0.071107258 0.079016459 0.065093583 0.277853104 0.062646775 0.138608721 0.030166124 0.063828886 0.049977326 0.022339043 0.045021341 0.032887882 0.201740522 0.043806317 0.109890871 0.044102419 0.106429082 0.072431158 0.034816741 0.076396945 0.03960389 0.090212444 0.024898943 0.049896653 Pyruvate 0.046465823 0.028688119 0.012204677 0.049976413 0.017040407 0.031833818 0.036370615 0.00643498 0.006517545 0.020409564 0.014187201 0.008010501 0.009226232 0.005209447 0.005873156 0.005761216 0.018410371 0.011026105 0.016208667 0.02965237 0.042858482 0.019197132 0.01899785 0.010272974 0.012138805 0.01743727 0.013137746 0.006869883 0.004346263 0.005681076 0.003588929 0.011484281 0.007728535 0.00278531 0.013775223 0.050741545 0.006895538 Quinate 0.186755125 0.114184441 0.045372801 0.008316183 0.031930001 0.302940019 0.219027888 0.010621137 0.20738878 0.003254721 0.003193223 1.814996965 0.481280952 0.158067932 0.079486064 0.00625273 0.002288768 0.057286905 0.027155072 0.009809793 0.634064859 0.01342799 0.084390038 0.202715649 0.003499435 0.038228049 0.005776653 0.094874449 0.001757702 0.027659576 0.142095588 0.158840638 0.002798717 0.004022287 0.003200405 7.17E-04 0.011400836 Quinolinate 0.002500235 0.001345569 0.001349921 0.003577764 0.001042364 0.005094681 0.002532672 0.00172037 0.003447865 0.005524598 0.001026898 0.004200875 0.002965163 0.003487381 0.002990943 0.001054673 0.003349378 0.007727076 0.002223792 0.00172606 0.006600719 0.002245915 0.001710207 9.22E-04 0.001802177 0.001653438 0.001797428 0.002257369 0.002411296 0.003947314 0.002843074 0.001601571 0.001302441 0.005044796 0.003201431 0.001568961 0.001754343 Quinoline 0 0.007699722 0.023751304 0 0 0 0 0 0 0 0 0.002345644 0.002030779 0 0.001967112 0.001366337 0.004973151 0.008806746 0 0 0.011218743 0 0.004045648 0 0.001482326 0 0.007176369 0.003709186 0 0.045409072 0 0 0.003027825 0.002552281 0.004314305 0 0.006055151 Raffinose 0.003308435 0.003128646 0.013187619 0.003658682 0.002950245 0.008932895 0.009847711 0.015343368 0.005168466 0 0.00728643 0.002079548 0.013550348 0.018310506 0.010970518 0.002843061 0 0.002887098 0.003121509 0.008931083 0 0.02085467 0.009762498 0.007096311 0.002617954 0.005378147 0.007734567 0.005688326 0.001965914 0.008550916 0.004336341 0.00795921 0.002627943 0.006789641 2.16E-04 0.015461702 0.002539749 Rhamnose 0.014243712 0.011539716 0.005959163 0.04491578 0.017356468 0.034641626 0.023567775 0.01566977 0.08262755 0.010979998 0.009409182 0.158479377 0.080381798 0.07931103 0.00458488 0.01265499 0.019045556 0.027101606 0.011685639 0.086762908 0.020707083 0.078139919 0.044723664 0.071495302 0.006588053 0.016824832 0.025321028 0.012388267 0.012334306 0.008600729 0.034391265 0.043016262 0.014331631 0.027676355 0.007757548 0.010062118 0.007214005 Riboflavin 0.011028501 1.178880887 0.043825108 0.01839935 0.005787745 0.011044903 0.015055011 0.009672474 0.014559869 0.005941557 0.008592278 0.018678483 0.005381472 0.022365414 0.009105337 0.007122938 0.010675548 0.010469577 0.026002526 0.004040756 0.030347039 0.04871656 0.017719007 0.018285128 0.024976759 0.008900022 0.01627031 0.023719255 0.004603173 0.034433373 0.020816826 0.007413713 0.018712023 0.038215326 0.012124142 0 0.010813164 Ribose 0.012012966 0.012798054 0.008338952 0.027344254 0.012166668 0.009484555 0.005060152 0.010493449 0.025901738 0.023066258 0.010499863 0.008822004 0.012427138 0.009477752 0.003980135 0.013200758 0.01262421 0.020101756 0.009764185 0.009704341 0.008470764 0.003814095 0.022710397 0.003173601 0.015173681 0.010819922 0.004870643 0.009069811 0.00668249 0.007755836 0.007542362 0.009080687 0.003596599 0.010120402 0.008330607 0.010474436 0.002168007 Ribose phosphate 7.93E-04 0.001236015 0.001939444 6.79E-04 3.40E-04 0.001682306 0.00748189 0.004666664 2.14E-04 0.003485767 6.43E-04 0.006231545 0.001881119 0.001132034 0.001167639 0.001646154 0 0.002102529 0 0.001378552 0 0 2.79E-04 0 0 6.74E-04 0.005981665 0.002465368 0.002543438 0.015697272 0.002094529 9.11E-04 0.001907154 0.006623661 4.68E-04 0.002812673 0.002996947 Ricinoleic acid 0.276046646 0.311324925 0.521827492 1.849351606 0.368871752 0.454164665 0.21673906 0.179329647 0.649913997 0.516390344 0.428369522 1.91359841 0.384356316 0.327173007 0.467818804 0.876418629 0.316640675 0.799207723 0.878054651 0.413441282 0.647304861 0.619180102 0.519365165 0.853011393 0.391675809 0.135865955 0.823285315 0.782308654 0.608678855 2.113231589 0.282286184 4.63958083 0.632463492 1.019856636 1.160448167 0.069229692 0.823307095 S-Adenosyl-L-Homocysteine 2.43E-04 3.18E-04 0 8.12E-04 0.001299083 4.74E-04 0.001137463 0.001579151 3.66E-04 0 5.76E-04 3.16E-04 1.85E-04 2.73E-04 3.53E-04 2.65E-04 2.96E-04 0 3.12E-04 3.70E-04 0.001229264 6.46E-04 0.002023179 2.56E-04 4.26E-04 0.001084487 2.43E-04 5.92E-04 0 2.09E-04 0.001234021 4.35E-04 2.92E-04 3.74E-04 0.001011682 0.028525153 1.95E-04 S-Adenosyl-L-methionine 0.015253846 0.021055864 0.04977561 0.001437855 0.004222394 0.003627346 0.009476359 0.008018155 4.69E-04 0.017071104 0.004526844 0.001439449 0.025405395 0.082138677 0.052322687 0.003151574 0.004074263 0.004021121 0.022670919 0.018571602 0.001499046 0.007136495 0.008876535 0.001231389 0.008001106 0.019423307 0.002061366 0.012739953 0.006253768 0.011798668 0.043824362 0.012494884 0.054306554 0.006216623 0.004015289 0.037642591 0.017464193 S-Carboxymethylcysteine 8.72E-04 6.86E-04 6.72E-04 5.61E-04 0.001578501 9.07E-04 0.001928517 0.003227169 0.003048206 0.00175331 0.001864797 0.001909919 8.53E-04 0.004453415 0.004238603 6.58E-04 0.002551874 0.002379423 0.002200351 0.006871313 0.001797871 0.003543324 0.003701552 0.002376471 3.39E-04 0.004180103 0.001277508 0.001335929 5.62E-04 0.001774874 0.001192177 6.51E-04 7.38E-04 0.001032969 0.001875458 3.21E-04 8.05E-04 S-Hexyl-Glutathione 0 0 0.004514445 0.011592476 0.00375843 0.003693321 0.003316916 0.003560876 0.005177938 0 0.006320747 0.006779334 0.002027149 0.001856355 0.002448846 0.005875832 0.00205814 0.003922595 7.58E-04 0.010469696 0 0.003750181 0.002994252 0.005254602 0.002704214 0.011216422 0.005026107 0.00780326 0.003182116 0.007526683 0.002256175 0.002155115 0.005984869 0.004543044 0.003992633 0 0.001823115 Saccharate 0.001682542 0.001828236 0.002087913 0.004335541 0.004068121 0.002763631 8.38E-04 0.001019612 7.44E-04 0.001247407 0.007009291 0.002197672 0.001141841 7.04E-04 7.04E-04 5.05E-04 0.001034226 0.001160593 5.14E-04 6.01E-04 0.001195396 2.38E-04 4.64E-04 0.001067542 2.72E-04 0.003414738 0.003961557 9.70E-04 4.19E-04 0.001321575 3.48E-04 7.89E-04 4.32E-04 0.002235443 0.001247058 0.001434487 4.80E-04 Salicylamide 0.007634555 0.005887518 0.003685606 0.004425275 0.002754063 0.009146925 0.007015932 0.005993587 0.005241575 0.013729455 0.003419949 0.006565634 0.00727776 0.003906142 0.004878239 0.00599094 0.01528563 0.018157581 0.007703358 0.004271287 0.014606782 0.004468292 0.003036107 0.003068326 0.003293868 0.007569368 0.004337138 0.00822163 0.007025598 0.007686336 0.004446045 0.006889557 0.004938363 0.007777738 0.012315464 0.011836552 0.00548686 Salicylate 0.028371003 0.018597755 0.042414735 0.022629833 0.010561894 0.020756416 0.016360174 0.01627301 0.010223027 0.030308201 0.006262288 0.01985834 0.022629338 0.019984789 0.011406453 0.013876982 0.026273592 0.041403778 0.019198754 0.009341186 0.040072332 0.007344656 0.005418802 0.008857 0.004474492 0.068830388 0.00651016 0.024892321 0.014968701 0.022923733 0.008500143 0.011133503 0.01783598 0.011451546 0.028006756 0.036571319 0.014112939 Salsolinol 0.012996393 0.006907837 0.006859088 0.008382618 0.005214343 0.019930394 0.017133106 0.020673463 0.018462239 0.016196394 0.010268494 0.099237171 0.012546361 0.020814328 0.019714543 0.018132516 0.032638946 0.047407248 0.022344335 0.009826277 0.046733975 0.010752885 0.00415851 0.012642718 0.01002343 0.02770584 0.01340157 0.043090519 0.020702833 0.019492677 0.014936041 0.027838678 0.014206413 0.018667314 0.044613982 0.009194544 0.017169575 Sarcosine 0.025308116 0.027081846 0.019045188 0.01860869 0.004222408 0.056575166 0.032661298 0.069667504 0.007906465 0.023611442 0.011379943 0.012598187 0.026140188 0.027632831 0.015604566 0.004934224 0.030431854 0.017842787 0.021219899 0.016459544 0.050463382 0.002961141 0.079771389 0.023200829 0.009288476 0.005075217 0.00967224 0.018843165 0.008821289 0.004464606 0.028827681 0.009091723 0.010848894 0.020398361 0.009053086 0.033008903 0.006290329 Sedoheptulose-7-phosphate 4.78E-04 0.001163758 0.007668927 9.89E-04 0.00177341 0.009418808 0.016207563 0.004585133 6.09E-04 0.008416434 0.001121506 0.016917553 0.004771481 0.003977926 0.015422712 0.002456457 0 0.003159572 4.79E-04 0.005593266 7.73E-04 0 3.55E-04 6.77E-05 0 2.97E-04 0.034627915 0.003304839 0.016914823 0.041642454 0.003973894 0.001588623 0.011122804 0.00733352 0.001044178 0.002965597 0.006551916 Serine 0.067115306 0.029555659 0.192016912 0.139780422 0.016993552 0.023066941 0.082092337 0.024762728 0.044822266 0.059848524 0.017404427 0.081109116 0.014424 0.020226266 0.0359349 0.122104508 0.112693218 0.058264011 0.064096779 0.024974059 0.065428536 0.021792909 0.095516459 0.05543975 0.049879098 0.026961274 0.077913474 0.051062177 0.07258439 0.079636901 0.054247912 0.017819253 0.054871725 0.028944852 0.060618734 0.132748826 0.036926738 Serotonin 0.002267854 9.70E-04 0.003290291 0.003623884 0.001521554 0.001640872 0.002063805 0.001378871 7.83E-04 0.001707302 3.26E-04 0.008494241 0.002121177 0.011137472 0.002053956 0.010757484 0.012992462 0.011800104 0.008871707 7.20E-04 0.009541148 0.001281871 5.46E-04 0.002340721 8.56E-04 0.00605901 0.002982207 0.019514104 0.006483797 0.006841869 0.015904465 0.00423347 0.004925825 7.86E-04 0.027536489 0.003666621 0.006561873 Shikimate 0.003680295 0.003753468 0.003313789 0.003701513 0.001815649 0.003936258 0.0070421 0.004109711 0.003738696 0.005121197 0.001521115 0.009190702 0.004290097 0.008878432 0.010229423 0.004165101 0.005550026 0.011440184 0.012240148 0.002554668 0.007382279 0.00144482 0.012736135 0.007490558 0.001821991 0.003502498 0.004555255 0.00695649 0.002724955 0.014290649 0.009472371 0.003195313 0.003444657 0.00343604 0.007859389 0.001725737 0.003401772 Sn-Glycero-3-Phosphocholine 0.044822677 0.061497331 0.03862125 0.04287313 0.008714335 0.058865261 0.074354577 0.050240912 0.040624243 0.007723154 0.02611008 0.018565432 0.091829416 0.036330422 0.02392749 0.017449444 0.157199156 0.06965373 0.039758563 0.029144492 0.035789019 0.007149783 0.156416174 0.042243591 0.271160176 0.020198592 0.022182004 0.062636306 0.012663097 0.049065235 0.115787797 0.044675797 0.015132009 0.076352408 0.050022956 1.007173604 0.027079232 Sorbate 0.005910681 0.007668381 0.009681896 0.010193212 0.002721072 0.014599069 0.011106536 0.005017793 0.00357426 0.01388083 0.002734754 0.014336645 0.007309841 0.007658255 0.006632177 0.008561253 0.03638961 0.016875983 0.018501253 0.002755517 0.006882957 0.006502986 0.002843932 0.006657415 0.002977474 0.00237623 0.004714251 0.016850884 0.008241057 0.008483042 0.00455581 0.006746407 0.00302077 0.003657397 0.014125635 0.008704814 0.007839581 Sphinganine 0.73274312 0.286120019 0.112484974 0.609597097 0.035370965 0.19869851 0.079435357 0.035434928 0.069264575 0.139008227 0.083192512 0.016935748 0.104714415 0.18181335 0.019980594 0.061267893 0.155144058 0.565050352 0.139216577 0.091957232 0.029644824 0.011541031 0.014456086 0.038229725 0.119395459 0.027637154 0.096593891 0.109950181 0.137088897 0.131673668 0.146009822 0.1648554 0.071846464 0.290172351 0.197273509 0.087403049 0.093750461 Stachydrine 2.319167546 2.502757818 2.550613523 0.918209539 0.092332186 0.167653253 0.834807005 1.079678751 0.061918212 5.318065599 0.072898635 1.000622069 0.202324623 0.874444218 0.885062603 0.662489673 0.386066035 0.168556835 1.517083313 0.980008965 0.720951238 0.096199981 0.341415348 0.425502154 0.411761748 0.257828912 0.662850228 0.403765765 0.261302286 1.406111788 0.446724737 0.060700367 0.268331694 2.064214332 0.366238969 0.029840378 0.153817505 Stachyose 5.29E-04 0.003101682 0.002615175 0.001444448 0 0.002331402 0.002868498 0.001481906 0.001291551 0 0 9.07E-04 0.004370164 0.002963365 0.003065796 8.61E-04 0 7.62E-04 0.001785144 0.001707393 0.001765946 9.01E-04 7.39E-04 0.001202579 9.05E-04 0.002568528 6.45E-04 0.002337922 0 0.002112722 0.002475221 0.001747768 6.72E-04 0.002998279 3.76E-04 0.005915974 6.36E-04 Stearic acid 3.763311753 8.321512141 1.742919241 2.06273833 0.409428332 2.216656898 1.466552847 0.929294925 0.894061583 2.830774339 0.611362327 1.033489218 1.00266865 0.761420816 0.310158886 0.545173793 3.592659653 4.504642456 2.000013371 0.303700695 1.074595692 0.135327901 0.136569005 0.285006159 0.396697294 1.034309502 1.351032312 2.469374274 2.110086698 4.836049214 0.253320698 2.857852914 0.761537675 2.281661243 14.55591054 1.801188773 0.675534027 Suberate 0.004415028 0.002218951 0.001710062 0.002441261 0.001616402 0.004620756 0.006648109 0.007284745 0.004835506 0.005076177 0.001000293 0.009040909 0.00650639 0.003676927 0.006891599 0.0050881 0.007060932 0.014515043 0.00882388 0.005861321 0.014812723 0.004370711 9.46E-04 0.002628133 0.002594686 0.004666569 0.007369227 0.007106017 0.003373148 0.011230014 0.004250124 0.004256678 0.008336978 0.005977218 0.006376996 0.001836534 0.006028811 Succinic Acid 0.004683365 0.004320711 0.008621824 0.007139871 0.082883171 0.003163843 0.006841506 0.207432653 0.003580491 0.006686792 0.062201217 0.00269298 0.003135629 0.002836301 0.002640976 0.004938799 0.007820986 0.007694248 0.007088289 0.003016957 0.005945193 0.003378734 0.316585141 0.024993728 0.023356228 0.203711346 0.002346509 0.007128587 0.004445856 0.003303316 0.003226842 0.005681465 0.003814431 0.003464912 0.00698886 0.011732289 0.003500157 Succinyl-Cysteine 0.002090368 9.66E-04 0.004329088 0.00201357 0.030494798 0.00790714 0.003518928 0.019183146 2.02E-04 0 0.008564379 9.42E-04 9.21E-04 0.002338604 0.001189555 5.18E-04 3.27E-04 4.88E-04 0.001329146 0.001017328 0.001143357 0 0.009737595 0 6.75E-05 0.017603622 9.59E-04 9.29E-04 4.41E-04 0.00146197 6.78E-04 1.93E-04 6.90E-04 1.35E-04 9.58E-04 0.002842165 5.24E-04 Succinyladenosine 0.004664605 0.002374597 0.002124635 0.005561883 0.006020288 0.002396812 5.35E-04 0.009530798 0 0 3.50E-04 2.52E-04 9.38E-04 0 7.11E-04 0.001657702 7.95E-04 0 0.00146497 9.85E-04 0 2.75E-04 9.85E-04 9.87E-04 0.001235064 0.003333136 1.58E-04 0.002440378 0.001832437 0.001339844 9.82E-04 8.31E-04 0 0.001113056 5.72E-04 0.016531797 0.001754485 Sucrose 0.027388002 0.010050851 0.021627635 0.005478096 0.004254532 0.008710945 0.004556181 0.007229839 0.004315392 0.003070945 0.004310772 0.007034178 0.004349344 0.006329389 0.003630309 0.005938058 0.002625902 0.002380763 0.003645688 0.003854016 0.012649037 0.006172127 0.005691392 0.007316669 0.001919455 0.003638059 0.003787649 0.003936154 0.002531508 0.002212318 0.006586827 0.005640117 0.003565471 0.004274244 0.002072601 6.24E-04 0.00259072 Tartrate 1.05287361 0.844759566 0.010814924 1.118663734 0.124033086 0.111599912 0.034197807 0.04799482 0.06587324 1.456842024 0.089217542 0.014914699 0.04997481 0.025157433 0.019507926 0.036761993 0.096137388 0.126984393 0.026004198 0.025811791 0.026514006 0.006590368 0.020977271 0.025104272 0.013368167 0.09878008 0.024193553 0.11905042 0.029157194 0.029732239 0.009592964 0.050288772 0.034182896 0.0862177 0.172390353 0.831317895 0.055467607 Taurine 0.007391926 0.019118501 0.071008496 0.013292745 0.475091367 0.287613948 0.038360592 1.079678751 0.845919805 0.001167491 0.127707948 0.001578867 0.175637884 0.669217514 0.306027161 0.001693058 0.002314326 0.002155195 0.011217742 0.149901757 8.59E-04 0.975827841 0.571094763 0.644274487 0.107347304 0.126185565 0.054084915 1.027205276 0.01108084 0.006913062 0.575534937 0.011836777 0.008224945 0.003741845 0.001077577 0.288746652 0.002692362 Tetradecanoylcarnitine 0 0 0 0 0.012726763 0.004202674 0 0.002778552 0 0 0.001596199 0 0.003008137 0 0 0 0 0 0 0 0 0.004470574 0.005557936 0.00539249 0.001997876 0 0 0 0 0 0 0.009489592 0 0 0 0.007690912 0 Tetrahydrofolate 7.43E-04 9.00E-04 0.001683397 0.002086642 8.10E-04 6.33E-04 9.37E-04 6.38E-04 0.001233707 6.87E-04 3.64E-04 0.001028972 6.42E-04 0.001511717 0.003090148 0.001289502 0.00196673 0.001189153 0.001547448 0.001042568 0.001006834 3.49E-04 7.92E-04 2.31E-04 6.42E-04 0.001138946 0.001399728 0.002464756 0.001130047 9.07E-04 0.00215615 8.26E-04 8.46E-04 0 0.001602576 8.14E-04 6.26E-04 Theophylline 0.005780241 0.010071537 0.008613153 0.004271762 0.00219703 0.004766069 0.014107668 0.012349894 0.003791376 0.013760433 0.002319485 0.016623698 0.003000081 0.008927585 0.013837564 0.006687607 0.002645596 0.048000511 0.017674009 0.00113923 0.014643135 0.00335053 0.00580839 0.011498361 8.04E-04 0.015750367 0.013580398 0.011026668 0.003098996 0.025338337 0.008838712 0.003481575 0.005205921 0.00111962 0.00213606 0.001372729 0.004864445 Thiamine 0.007525345 0.438239975 0.018723116 0.004585213 0.001988633 9.04E-04 0.004026889 0.007834481 0.007698359 6.54E-04 0.004419202 0.005626438 0.00200446 0.005200448 8.50E-04 0.004467478 0.030063541 0.00402414 0.010731849 0.001659011 0.044396383 0.009734755 3.55E-04 0.005314888 0.003172935 0.023406572 0.008194896 0.004966575 0.001382824 0.507988363 0.006841689 0.001402996 0.002697314 0.002420776 0.008339212 3.11E-04 0.01096041 Thiamine Monophosphate 0.00434732 0.01047511 6.80E-04 0 0 0.001915156 0.003590311 0.004778237 0.001056954 8.83E-04 0.001014633 0.001327377 8.47E-04 0.001320712 0.002603676 0.002809438 0.001164794 0.002979306 0.001680907 0.001668205 0.003068484 0 0.001259644 3.45E-04 0 0.001978291 0.008732612 0.003580711 5.99E-04 0.128318454 0.002113884 0.002016381 0.001195216 0.003134377 0.002993344 0 0.001745763 Thiopurine S-Methylether 0.004428621 0.009718973 0.001347993 0.011697868 0.0067174 0.012671571 0.010030519 0.004791836 0.051022916 0.006954478 0.007580855 0.004243702 0.006048859 0.013438122 0.003114523 0.002992347 0.006170926 0.011077194 0.00828182 0.006036645 0.007822618 0.002358438 0.00649821 0.007025779 0.0205891 0.014788881 0.00298609 0.006267847 0.003070555 0.006095455 0.003940274 0.006015135 0.00399054 0.018255688 0.006354403 0.002263595 0.002891638 Threonine 0.144408892 0.219556113 0.513277289 0.220107712 0.366940487 0.280830701 0.15322497 0.247036819 0.317730564 0.602665294 0.133138572 0.170023798 0.384356316 0.273127509 0.291709866 0.414056045 0.374614489 0.187921452 0.26781101 0.155577972 0.232915738 0.198468822 0.658000488 0.264935303 0.234683751 0.202243097 0.30398227 0.160056392 0.173293116 0.171642028 0.33161775 0.108070281 0.32591231 0.212198425 0.222514278 0.389454412 0.11086867 Thymidine 0.015544536 0.018381585 0.015464285 0.012019304 0.004875271 0.014595156 0.015065354 0.005725911 0.018585156 0 0.014710871 0.019286529 0.012206365 0.019270671 0.027815037 0.264663432 0.049505738 0.034631898 0.081892713 0.013744931 0.046727108 0.012644081 0.021688072 0.088485139 0.038629029 0.111895766 0.040032614 0.033857563 0.004981389 0.007235724 0.033288404 0.005576837 0.013620986 0.002321887 0.007746553 0 0.048396287 Thymine 0.043080823 0.098173528 0.136597748 0.090830803 0.01699914 0.027231624 0.031130131 0.021889767 0.094311826 0.022599739 0.098633956 0.10013162 0.031255713 0.030393912 0.032208883 0.479614919 0.459622636 0.090840244 0.231280299 0.024245678 0.095560397 0.092742434 0.277270646 0.181553355 0.208396896 0.162409873 0.108904583 0.059065384 0.035404197 0.052862534 0.075230276 0.019075568 0.082916008 0.027525748 0.050735813 0.033777967 0.162637845 TMP 4.62E-04 4.71E-04 0 2.61E-04 9.08E-04 0.001650398 0 0.002193897 0.00112213 0 0.001379849 0.001488677 0.003278135 0.001717336 0.002515438 0.002619066 0 0.002153659 0 0.00108046 7.75E-04 0 4.47E-04 1.78E-04 4.94E-04 0.003869755 0.003455493 0 0.001172004 0.004922205 0.001186663 6.27E-05 0.001100279 0.001950946 0 0 0.003535788 trans-3-Hexenoic acid 0.01730287 0.010394332 0.003020523 0.02330057 0.003007331 0.008877123 0.007046462 0.007432674 0.004107493 0.01515495 0.004642751 0.0077243 0.008836985 0.004330539 0.00208295 0.007924644 0.031695856 0.017251978 0.005456233 0.004057029 0.011916119 0.002213721 0.001519962 0.002371978 0.001867302 0.008292652 0.00216107 0.015725206 0.008386862 0.00565706 0.005396855 0.006968557 0.003875707 0.003957635 0.00630582 0.011846404 0.003958661 Trans-4-Hydroxy-L-Proline 0.084581403 0.049332694 0.172234114 0.067457328 0.055014087 0.406925961 0.076047959 0.25560481 0.051522616 0.042097034 0.496991824 0.175988767 0.047441397 0.033044509 0.064582242 0.025167099 0.027516187 0.024038325 0.052797729 0.109896556 0.015790008 0.073091369 0.043958816 0.077549381 0.018812414 0.053880224 0.018399079 0.026040501 0.024493707 0.045281367 0.020700407 0.03375537 0.215322078 0.217984207 0.024838521 0.167125646 0.023749455 trans,trans-Muconic acid 0.001944327 0.002835989 0.001259799 0.002220344 0.001017293 0.001329683 0.001552975 0.001533853 0.001036933 0.004598885 6.64E-04 0.001449678 0.001165797 0.00112646 0.00206129 0.001010066 0.001869352 0.003096402 0.001708056 0.001171613 0.003066524 9.54E-04 0.001132804 0.001104883 7.43E-04 0.001675974 0.001116355 0.002213828 0.001293878 0.001379087 0.001804852 0.001181051 0.00152813 0.001694105 0.00201527 0.00119731 0.001154076 Trehalose 0.003827629 0.005125634 0.045697621 0.00616719 0.01069551 0.014768254 0.015816854 0.033370451 0.014111769 0.003373368 0.008664061 0.005672455 0.032728188 0.017469481 0.013048868 0.010719023 0.006571614 0.003380474 0.00860266 0.015289048 0.012646118 0.030417891 0.011239553 0.013872178 0.007108798 0.010851574 0.012905998 0.016275717 0.007364173 0.024610535 0.008987367 0.003843888 0.006482871 0.019847494 0.001748738 0.010844085 0.004385016 Tricosanoic acid 0.010989332 0.014961033 0.010582217 0.00765034 0 0.002195436 0 0 0 0.031194317 0 0 0.001860628 0 0 0 9.61E-04 0.022907583 0 0 0 0 0 7.95E-04 0 0 0 0.004449171 0.003828324 0 0.003667601 0 6.63E-04 8.53E-04 0.02995726 0.001386167 0.001489903 Tridecanoic acid 0.115229721 0.06438658 0.05665024 0.079809301 0.020490664 0.056272451 0.05067146 0.048456845 0.03668826 0.141814402 0.029452974 0.038534075 0.049399159 0.035080301 0.038613404 0.059196002 0.177253323 0.159034368 0.084413199 0.019059431 0.186860037 0.029596216 0.05513385 0.065632084 0.034362135 0.043025878 0.125314446 0.087773121 0.075885839 0.064590779 0.058009354 0.04409696 0.047986298 0.041809523 0.109699457 0.071056739 0.039505165 Trigonelline 0.081728728 0.296922949 0.120143985 0.3028569 0.090318719 0.171633425 0.417403502 0.690223202 0.225349817 0.392906757 0.043500258 0.046626939 0.43114752 0.156370635 0.030498527 1.111050388 0.067003203 0.109729864 3.453681626 0.166160578 0.058647829 0.182916078 0.2317486 0.078594775 0.066085174 0.254812192 0.259651523 0.084981913 0.037904763 0.201827232 0.205422872 0.149714679 0.086786255 0.187130803 0.03612134 0.018156207 0.021513585 Trimethyllysine 0.053088112 0.090706747 0.121753906 0.026987115 0.892244762 0.545830928 1.113076007 1.372734412 1.746858785 0.017085104 0.55105788 0.042264285 1.139700032 0.817932517 0.300671129 0.023762595 0.025891673 0.017073813 0.029335954 0.436410242 0.061673242 0.05541343 0.199454094 0.401417126 0.989232492 0.249636336 0.050464478 0.037286026 0.01823811 0.053697046 0.117852794 0.038976135 0.017290413 0.083624572 0.034803569 0.017748864 0.044151291 Tryptophan 0.513726812 0.098659025 0.40394966 0.312337601 0.871000839 0.14569065 0.177410621 0.555263358 0.281068407 0.087528413 0.777719423 0.212366944 0.124444675 0.091343827 0.109284506 0.285593541 0.172152327 0.104330748 0.155907047 0.101415216 0.168089825 0.200683213 1.553957128 0.305077016 0.411761748 1.055857617 0.221653739 0.140867675 0.119628124 0.09838041 0.295989396 0.241232779 0.192686011 0.190451411 0.07093418 0.24240998 0.097142564 Tryptophanamide 0 0 0.004370859 0.003230271 0 0.001852646 0.003222751 3.27E-04 0 0 0.004320942 0.00279877 0.002579189 0.001871618 0.002546196 0.002723061 0 0.004299218 0.002394645 0.001789272 0.00289802 0 2.06E-04 0.001300623 0 0 0.001928046 0.003082999 0.001132925 0.003581627 0.001605834 0 3.11E-04 0 0.004393288 0.002183405 0.002109537 Tyramine 0.01015749 0.006539824 0.022496401 0.099216158 1.78642079 0.063356378 0.030682034 2.035965645 0.220755396 0.013098511 1.087559515 0.092453126 0.077736921 0.053796127 0.164447602 0.011309997 0.039325922 0.025719397 0.079192642 1.702255155 2.036076048 0.54735521 0.883541536 0.27095656 0.001537384 0.014143605 1.04916103 0.010670974 0.016213764 0.161098256 0.028341833 0.412407185 0.020189028 0.882038172 0.013415113 0.003082356 0.01128548 Tyrosine 0.333774341 0.244671463 0.586081192 0.75655293 0.950182734 0.912495979 0.244693846 0.229184638 1.090067392 0.189314504 1.453545126 0.419969117 0.531414385 0.377736108 0.235089614 0.783256019 0.458287923 0.236720795 0.419487456 0.23010791 0.415869954 0.430949351 0.869057249 0.84498305 3.113320534 0.620585701 0.40953167 0.584697077 0.388008327 0.261922715 0.907152687 0.164372726 0.545338419 0.535960695 0.256256098 0.607501539 0.209859508 UMP 0.00215216 0.001401424 0 0 0.001096139 0.006271751 9.59E-04 0.011396107 3.90E-04 0.003058253 0.001093904 0.001270844 0.00212046 8.75E-04 0.003037682 8.52E-04 5.06E-04 9.95E-04 0 0.001915889 9.29E-04 0 0.001457677 0 3.87E-04 0.004217259 0.004271103 0.001294415 0.00264028 0.015392904 0.001381746 0.001610928 4.64E-04 0.002338093 5.35E-04 0.008804727 4.22E-04 Undecanoic acid 0.064065364 0.058197264 0.0112012 0.077165971 0.012948511 0.045718999 0.04685782 0.049487564 0.034481211 0.099933942 0.024420923 0.033341895 0.04100004 0.024376653 0.016511198 0.055148192 0.112148333 0.124417331 0.071324243 0.01770785 0.078350807 0.024187345 0.026813177 0.023123986 0.022377861 0.037630968 0.026805563 0.068072666 0.043699682 0.044417176 0.026328916 0.031467317 0.023028803 0.026449508 0.071828453 0.108569842 0.025671006 Uracil 0.027017847 0.046670827 0.232686684 0.088846822 0.036124238 0.036834912 0.052826848 0.051652608 0.110970202 0.018947771 0.042609414 0.121192358 0.024306368 0.065655029 0.063366212 0.164900072 0.180697834 0.064851905 0.135842969 0.058057503 0.052621763 0.076171869 0.256578807 0.164410081 0.246273306 0.072180293 0.209134903 0.044814852 0.048478015 0.139367593 0.178178689 0.022794081 0.121902278 0.06167024 0.066890915 0.028449193 0.082518157 Urate 0.001457975 0.001001907 0.001251376 7.10E-04 1.98E-04 3.22E-04 4.59E-04 4.37E-04 2.90E-04 0.001758805 0.002658713 5.59E-04 4.15E-04 3.39E-04 0 8.11E-04 8.14E-04 0.001447508 6.01E-04 0 0.003307748 0.002069073 0.004117046 9.12E-04 0.001489357 2.97E-04 0.001540472 3.85E-04 3.46E-04 4.87E-04 9.84E-04 0 5.04E-04 5.12E-04 0.001690074 0.00152689 5.91E-04 Ureidopropionate 0.001404335 0.002290699 0.002437749 0.002389925 0.003325463 0.010865046 0.001586547 0.00517546 0.001723731 0.002725582 0.002122318 0.001267712 0.006846625 0.001365663 0.002874448 9.85E-04 0.002309448 0.002119527 0.001531114 0.002589543 0.003926354 0.013257233 0.001782203 0.009321708 0.009785824 0.001943187 0.001094227 0.001667114 0.004923456 0.00180318 0.001257056 0.053512756 0.001707296 0.015525253 0.001596742 0.00128032 0.001052258 Uridine 0.021111967 0.051876399 0.069828283 0.006419752 0.025745108 0.019244976 0.028360999 0.111069962 0.019791183 0.012878742 0.041229852 0.054214429 0.030008493 0.061780806 0.060228742 0.100791975 0.031838002 0.021279378 0.05894398 0.043390023 0.016232964 0.010555053 0.15799448 0.052330331 0.121825571 0.123621616 0.122349208 0.029777456 0.014804319 0.099276875 0.190197591 0.018068892 0.053323705 0.040794612 0.005174847 0.023977003 0.040110167 Urocanate 0.089962922 0.035305947 0.103408359 0.11962371 0.399772004 0.017596488 0.012665665 0.054981436 0.175034431 0.0119247 0.043139157 0.217576695 0.135127684 0.07448264 0.091634516 0.177363835 0.118348476 0.09618762 0.090084043 0.074600657 0.263618455 0.567168973 0.069300627 0.419480897 0.296267599 0.007475219 0.466528345 0.0376994 0.071048056 0.342210032 0.408355741 0.031101794 0.58083382 0.275588271 0.058688681 0.209851925 0.028720077 Valine 0.376231845 1.033884842 1.243424093 0.847080631 2.452707463 1.758325584 0.458767814 1.39201439 1.141647868 0.36803528 1.303823739 0.639083438 1.00266865 1.234334526 0.777590715 1.069644784 0.767430134 0.496046353 0.551223197 2.883880547 0.595522054 0.641470586 2.979624852 1.140024638 2.081405421 0.680920422 0.502415141 0.464731059 0.404703706 0.367290993 1.515575335 0.315590091 0.532431001 0.309325887 0.629748736 0.756712443 0.197619092 Xanthine 0.002172458 0.003773802 0.008418447 0.003868115 0.001522974 5.54E-04 0.007156831 0.004027292 0.006001024 0.003511176 0.001500259 0.007050846 0.00302939 0.002457834 0.002925218 0.008923658 0.003430523 0.011867453 0.010524385 0.002037849 0.044376045 0.006014977 0.00849682 0.007365773 0.00473568 0.004177289 0.013362844 0.001897925 0.001118211 0.005932191 0.010119595 0.002776768 0.00774535 0.003365243 0.001721789 0.003004932 0.003184381 Xanthurenate 0.152573207 0.156567803 0.02664972 0.814749309 0.010340623 0.679163674 0.932577195 0.014479582 0.224496924 0.019294764 0.005251742 0.260281248 2.673783067 0.008848303 0.328737538 0.076518845 0.787804385 0.453462407 0.463235888 0.005272806 0.476032271 1.644542351 0.002500625 0.006445149 0.006534126 0.009335866 0.242763619 0.036504679 0.191634638 0.020954158 0.067717531 0.502621257 0.964829511 1.059670859 0.060727487 0.00470938 0.137131709 Ximeninic Acid 0.038989937 0.073307707 0.231653986 0.14090683 0.098941823 0.704163563 0.231178612 0.143009726 0.070953153 0.194150773 0.047486224 0.850893949 0.061630165 0.096515456 0.106364222 2.863887647 0.032276977 0.722611625 0.238746731 0.054738976 0.057390996 0.059788964 0.119357004 0.061258389 0.025645891 0.099214194 0.052837417 0.870743546 0.244175519 0.573010873 0.112157781 0.275260895 0.409810528 0.077485785 0.057870548 0.030066387 0.14136095 Xylitol 0.00638109 0.005099909 0.00563976 0.004529767 0.003067866 0.003368369 0.00156131 0.003684663 0.001293758 0.00960044 0.001126455 0.00383169 0.001291651 9.85E-04 0.001140729 0.001695712 0.005687905 0.003431062 0.009282651 9.11E-04 0.007425666 0.001282717 0.004688156 0.001043615 0.001303942 0.002702386 0.001657073 0.00296714 0.001854158 0.001999358 0.001478053 0.001939813 0.003797404 0.004143144 0.006809636 0.004829709 0.00121282 Xylose 0.088063332 0.061317805 0.005967304 0.067899389 0.055435827 0.133155964 0.072029306 0.130013147 0.235091405 0.06429886 0.0692636 0.064991449 0.12393436 0.137162406 0.043447173 0.068326987 0.184963557 0.369265417 0.100957367 0.058467576 0.119435884 0.294729728 0.053654512 0.10959022 0.053882077 0.154193818 0.038187476 0.111787291 0.094387898 0.102662723 0.04496686 0.203731786 0.103048518 0.090154176 0.121475904 0.079259829 0.070605988 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z HMDB ID 1-Aminocyclopropanecarboxylate 102.055 HMDB0036458 1-Methyladenosine 282.1197 HMDB0003331 10-HAD 185.1183 HMDB0244269 10-Hydroxydecanoic acid 187.134 HMDB0244272 13Z,16Z-docosadienoic acid 335.2956 HMDB0061714 14-Methylhexadecanoic acid 269.2486 HMDB0031067 2 Deoxy D Glucose 163.0612 HMDB0062477 2-Acetamido-2-Deoxy-Beta-D-Glucosylamine 221.1132 HMDB0001104 2-Aminoisobutyrate 104.0706 HMDB0001906 2-Aminophenol 108.0455 NA 2-Deoxy-D-Glucose 6-phosphate 243.0275 HMDB0245098 2-Hydroxy-4-(Methylthio)Butyric Acid 149.0278 HMDB0037115 2-hydroxyglutarate 147.0299 HMDB0059655 2-Hydroxyhexadecanoic acid 271.2279 HMDB0031057 2-Hydroxyisocaproic acid 131.0714 HMDB0000665 2-Hydroxypyridine 96.0444 HMDB0013751 2-Hydroxytetradecanoic acid 243.1966 HMDB0002261 2-Methylcitrate 205.0354 HMDB0000379 2-Methylmaleate 129.0193 HMDB0000634 2-Phosphoglycerate 184.9857 HMDB0000362 2,3-Dihydroxybenzoate 153.0193 HMDB0000397 2,4-Dihydroxypteridine 163.0262 HMDB0254198 2,6-Dihydroxypyridine 112.0393 NA 2'-Deoxy-5'-Adenosine Monophosphate 332.0755 HMDB0000905 3 Hydroxybenzyl Alcohol 123.0452 HMDB0059712 3-(2-Hydroxyphenyl)Propanoate 165.0557 HMDB0033752 3-(4-Hydroxyphenyl)Pyruvate 179.035 HMDB0000707 3-Amino-4-Hydroxybenzoate 152.0353 HMDB0304941 3-Dehydroshikimate 171.0299 HMDB0304122 3-Hydroxyanthranilate 152.0353 HMDB0001476 3-Hydroxybenzaldehyde 121.0295 NA 3-hydroxybutyric acid 103.0401 HMDB0000011 3-Hydroxykynurenine 225.087 HMDB0000732 3-Hydroxymethylglutarate 161.0456 HMDB0000355 3-Hydroxyoctanoic acid 159.1027 HMDB0001954 3-Methoxy-4-Hydroxymandelate 197.0456 HMDB0000291 3-Methoxytyramine 168.1019 HMDB0000022 3-Methoxytyrosine 210.0772 HMDB0001434 3-Methyl-2-Oxindole 148.0757 HMDB0004186 3-Methyl-2-Oxovalerate 129.0557 HMDB0000491 3-Methyl-L-Histidine 170.0924 HMDB0000479 3-Methyladenine 150.0774 HMDB0011600 3-Methylglutaconate 143.035 HMDB0000522 3,4-Dihydroxyphenylglycol 169.0506 HMDB0000318 4-Acetamidobutanoate 146.0812 HMDB0003681 4-Aminobenzoate 136.0404 HMDB0001392 4-Coumarate 163.0401 HMDB0002035 4-Guanidinobutanoate 146.0924 HMDB0003464 4-Hydroxy-L-Phenylglycine 168.0655 HMDB0244973 4-Hydroxybenzaldehyde 121.0295 HMDB0011718 4-Hydroxybenzoate 137.0244 HMDB0000500 4-Imidazoleacetate 127.0502 HMDB0002024 4-Pyridoxate 184.0604 HMDB0000017 5-Aminolevulinic acid 132.0655 HMDB0001149 5-Aminopentanoate 118.0863 HMDB0003355 5-Hydroxy-L-Tryptophan 221.0921 HMDB0000472 5-Hydroxyindoleacetate 190.051 NA 5-Hydroxylysine 163.1077 HMDB0000450 5-Hydroxymethyluracil 141.0306 HMDB0000469 5-Methylcytosine 126.0662 HMDB0002894 5-Valerolactone 101.0597 HMDB0250981 5'-Deoxyadenosine 252.1091 NA 5(Z),8(Z),11(Z)-Eicosatrienoic Acid 305.2486 HMDB0010378 6-Carboxyhexanoate 159.0663 HMDB0000857 6-Hydroxynicotinate 138.0197 HMDB0002658 9-Decenoic acid 169.1234 HMDB0031003 Acetaminophen 152.0706 HMDB0001859 Acetoacetate 101.0244 HMDB0000060 acetyl-carnitine 204.123 HMDB0000201 acetyl-lysine 189.1234 HMDB0000446 Acetylcholine 146.1176 HMDB0000895 Acetylcysteine 164.0381 HMDB0001890 Adenine 136.0618 HMDB0000034 Adenosine 268.104 HMDB0000050 Adenosine Diphosphate Ribose 560.079 HMDB0001178 Adipate 145.0506 HMDB0000448 ADP 428.0367 HMDB0001341 Alanine 90.055 HMDB0000161 Aleuritic acid 303.2177 NA all-cis-4,7,10,13,16-Docosapentaenoic acid 329.2486 HMDB0001976 Allothreonine 120.0655 HMDB0004041 aminoadipate 162.0761 HMDB0000510 AMP 346.0558 HMDB0000045 Aniline-2-Sulfonate 172.0074 HMDB0304940 Anserine 239.115 HMDB0000194 Arachidic acid 311.2956 HMDB0002212 Arachidonic acid 303.233 HMDB0001043 Arginine 175.119 HMDB0000517 Argininosuccinate 291.1299 HMDB0000052 Ascorbic acid 175.0248 HMDB0000044 Asparagine 133.0608 HMDB0000168 Aspartate 134.0448 HMDB0000191 Azelate 187.0976 HMDB0000784 Behenic acid 339.3269 HMDB0000944 Benzyl Alcohol 107.0502 HMDB0003119 Beta-Alanine 90.055 HMDB0000056 Beta-hydroxyvaleric Acid 117.0557 HMDB0000531 Betaine 118.0863 HMDB0000043 Bilirubin 585.2708 HMDB0000054 Biotin 245.0954 HMDB0000030 Bis(2-Ethylhexyl)Phthalate 391.2843 HMDB0249243 Buthionine-sulfoximine 223.1111 NA Butyric acid 87.0452 HMDB0000039 Butyryl-carnitine 232.1543 HMDB0002013 Caffeate 179.035 HMDB0001964 Caffeine 195.0877 HMDB0001847 Carnitine 162.1125 HMDB0000062 Carnosine 227.1139 HMDB0000033 CDP 404.0255 HMDB0001546 Cholate 407.2803 HMDB0000619 Choline 104.107 HMDB0000097 Cinnamaldehyde 133.0648 NA Cinnamate 147.0452 HMDB0000567 cis-10-Nonadecenoic acid 295.2643 HMDB0013622 cis-11-Eicosenoic acid 309.2799 HMDB0002231 Cis-4-Hydroxy-D-Proline 132.0655 HMDB0060460 cis-5-Dodecenoic acid 197.1547 HMDB0000529 cis-7,10,13,16-Docosatetraenoic acid 331.2643 HMDB0002226 cis-aconitate 173.0092 HMDB0000072 Citramalate 147.0299 HMDB0000426 Citrate 191.0197 HMDB0000094 Citrulline 176.103 HMDB0000904 CMP 324.0591 HMDB0000095 Cortexolone 345.2071 HMDB0000015 Cortisol 21-Acetate 405.2272 NA Cortisone 359.1864 HMDB0002802 Creatine 132.0768 HMDB0000064 Creatinine 114.0662 HMDB0000562 Crotonic acid 85.0295 HMDB0010720 Cys-Gly 177.0339 HMDB0000078 Cystine 241.0311 HMDB0000192 Cytidine 244.0928 HMDB0000089 Cytidine 2',3'-Cyclic Phosphate 306.0486 NA Cytosine 112.0505 HMDB0000630 D-Mannosamine 180.0867 NA D-Pinitol 193.0718 HMDB0034219 D-Sedoheptulose 209.0667 HMDB0003219 Decanoic acid 171.1391 HMDB0000511 Deoxycarnitine 146.1176 HMDB0001161 Deoxycholate 391.2854 HMDB0000626 Deoxycytidine 228.0979 HMDB0000014 Deoxycytidine Monophosphate 308.0642 HMDB0001202 Deoxyguanosine 268.104 HMDB0000085 Deoxyguanosine monophosphate 348.0704 HMDB0001044 Deoxyribose 133.0506 HMDB0003224 Deoxyuridine 229.0819 HMDB0000012 Dethiobiotin 215.139 HMDB0003581 Diaminopimelate 191.1026 HMDB0001370 Didecanoyl-Glycerophosphocholine 566.3816 HMDB0244070 Diethanolamine 106.0863 HMDB0004437 Diethyl 2-Methyl-3-Oxosuccinate 201.0769 HMDB0032306 Dihydrobiopterin 240.1091 HMDB0000038 Dihydroorotate 157.0255 HMDB0000528 Dihydrouracil 115.0502 HMDB0000076 Dimethylarginine 203.1503 HMDB0251395 Dimethylglycine 104.0706 HMDB0000092 Docosahexaenoic acid 327.233 HMDB0002183 Docosatrienoic Acid 333.2799 HMDB0002823 Dodecanoic acid 199.1704 HMDB0000638 Dopamine 154.0863 HMDB0000073 Eicosapentaenoic acid 301.2173 HMDB0001999 Epinephrine 184.0968 HMDB0000068 Erucic acid 337.3112 HMDB0002068 Ethyl 3-Indoleacetate 204.1019 NA Farnesyl pyrophosphate 381.1238 HMDB0000961 Ferulate 193.0506 HMDB0000954 Fructose 179.0561 HMDB0000660 Fructose-6-phosphate 259.0224 HMDB0000124 Fumarate 115.0037 HMDB0000134 GABA 104.0706 HMDB0000112 Galactarate 209.0303 HMDB0000639 Galactosamine 180.0867 HMDB0245095 Galactose 1-Phosphate 261.037 HMDB0000645 Galacturonate 193.0354 HMDB0002545 gamma-Glutamylcysteine 251.0696 NA Gemcitabine 264.079 HMDB0014584 Glucosaminate 196.0816 HMDB0250755 Glucosamine 180.0867 HMDB0001514 Glucosamine-6-Phosphate 260.053 HMDB0001254 Glucose 179.0561 HMDB0000122 Glucose 6-Phosphate 259.0224 HMDB0001401 Glucuronolactone 175.0248 HMDB0006355 Glutamate 148.0604 HMDB0000148 Glutamine 147.0764 HMDB0000641 Glutarate 131.035 HMDB0000661 Glutarylcarnitine 276.1442 HMDB0013130 Glycerate 105.0193 HMDB0000139 Glycerol 91.0401 HMDB0000131 Glycerol 3-phosphate 173.021 HMDB0000126 Glycine 76.0393 HMDB0000123 Glycochenodeoxycholate 448.3069 HMDB0000637 Glycocholate 464.3018 HMDB0000138 Glycolate 75.0088 HMDB0000115 GMP 364.0653 HMDB0001397 GPP 313.0612 HMDB0001285 Guaiacol 123.0452 HMDB0001398 Guanidinoacetate 118.0611 HMDB0000128 Guanidinosuccinic Acid 176.0666 HMDB0003157 Guanine 152.0567 HMDB0000132 Guanosine 284.099 HMDB0000133 Gulonolactone 177.0405 HMDB0003466 Heptanoic acid 129.0921 HMDB0000666 Hexanoic acid 115.0765 HMDB0000535 Hexanoyl carnitine 260.1856 HMDB0000756 Hippurate 178.051 HMDB0000714 Histamine 112.0869 HMDB0000870 Histidine 156.0768 HMDB0000177 Homocysteine 136.0427 HMDB0000742 Homocysteine Thiolactone 118.0321 NA Homoserine 120.0655 HMDB0000719 Hydroquinone 109.0295 HMDB0002434 Hypotaurine 110.027 HMDB0000965 Hypoxanthine 137.0458 HMDB0000157 Indole-3-Acetamide 175.0866 HMDB0029739 Indole-3-Acetate 174.0561 HMDB0000197 Indole-3-Ethanol 162.0913 NA Indole-3-Methyl Acetate 190.0863 HMDB0029738 Indole-3-Pyruvate 204.0655 HMDB0060067 Indoxyl Sulfate 212.0023 HMDB0000682 Indoxyl-Glucoside 294.0983 HMDB0061755 Inosine 269.0881 HMDB0000195 Isoleucine 132.1019 HMDB0000172 Itaconate 129.0193 HMDB0002092 Kynurenate 188.0353 HMDB0000715 Kynurenine 209.0921 HMDB0000684 L-Dopa 198.0761 HMDB0000181 Lactose 343.1235 HMDB0041627 Lauroylcarnitine 344.2795 HMDB0002250 Leucine 132.1019 HMDB0000687 Lignoceric acid 367.3582 HMDB0002003 Linoleic acid 279.233 HMDB0000673 Linolenic acid 277.2173 HMDB0001388 Lipoic acid 207.0519 NA Lithocholate 375.2905 HMDB0000717 Lithocholyltaurine 482.2946 HMDB0000722 Lumichrome 241.0731 HMDB0254199 Lysine 147.1128 HMDB0000182 Malate 133.0143 HMDB0000156 Maleamate 114.0197 HMDB0254310 Maleate 115.0037 HMDB0000176 Maleimide 98.0237 HMDB0254312 Malonate 103.0037 HMDB0000691 Mandelate 151.0401 HMDB0000703 Mannitol 181.0718 HMDB0000765 Melatonin 233.1285 HMDB0001389 Mesaconic acid 129.0193 HMDB0000749 Methionine 150.0583 HMDB0000696 Methionine Sulfoximine 181.0641 HMDB0029430 Methyglutarate 145.0506 HMDB0000752 Methyl 4-Aminobutyrate 118.0863 HMDB0341354 Methyl Galactoside 193.0718 HMDB0029965 Methyl Jasmonate 225.1485 HMDB0036583 Methyl Vanillate 181.0506 HMDB0240266 methyl-lysine 161.1285 HMDB0240689 Methylarginine 189.1346 HMDB0029416 Methylguanidine 74.0713 HMDB0001522 Methylmalonate 117.0193 HMDB0000202 Methylthioadenosine 298.0968 HMDB0001173 Mevalolactone 131.0703 HMDB0006024 Mevalonate 147.0663 HMDB0000227 Monoethylmalonate 131.035 HMDB0002001 Myo-Inositol 179.0561 HMDB0000211 Myristic acid 227.2017 HMDB0000806 Myristoleic acid 225.186 HMDB0002000 N-Acetyl-L-Aspartic Acid 174.0408 HMDB0000812 N-Acetyl-L-glutamine 189.087 HMDB0006029 N-Acetylalanine 130.051 HMDB0000766 N-Acetylasparagine 175.0713 HMDB0006028 N-Acetylglucosamine 222.0972 HMDB0000215 N-Acetylglutamate 190.071 HMDB0001138 N-Acetylglycine 116.0353 HMDB0000532 N-Acetylleucine 172.0979 HMDB0011756 N-Acetylmethionine 192.0689 HMDB0011745 N-Acetylneuraminate 310.1133 HMDB0000230 N-Acetylphenylalanine 206.0823 HMDB0000512 N-Acetylputrescine 131.1179 HMDB0002064 N-Acetylserine 146.0459 HMDB0002931 N-Acetylserotonin 219.1128 HMDB0001238 N-Acetyltryptophan 247.1077 HMDB0013713 N-Alpha-Acetyllysine 189.1234 HMDB0000446 N-Butylbenzenesulfonamide 212.0751 NA N-Formyl-L-Methionine 176.0387 HMDB0001015 N-Formylglycine 102.0197 HMDB0255145 N-Methylaspartate 148.0604 HMDB0002393 N-Methylglutamate 162.0761 HMDB0062660 N-Methyltryptamine 175.123 HMDB0004370 N6-(Delta2-Isopentenyl)-Adenine 204.1244 HMDB0245646 NAD+ 664.1164 HMDB0000902 NAPQI 150.055 HMDB0060946 Nervonic acid 365.3425 HMDB0002368 Nicotinamide 123.0553 HMDB0001406 Nicotinamide Mononucleotide 335.0639 HMDB0000229 nicotinamide N-oxide 139.0502 HMDB0002730 Nicotinate 124.0392 HMDB0001488 Nicotine 163.123 HMDB0001934 Nonadecanoic acid 297.2799 HMDB0000772 Nonanoic acid 157.1234 HMDB0000847 Normetanephrine 184.0968 HMDB0000819 Norvaline 118.0863 HMDB0013716 O-Acetylserine 148.0604 HMDB0003011 O-Succinyl-Homoserine 220.0816 HMDB0255868 Octanoic acid 143.1078 HMDB0000482 Oleic acid 281.2486 HMDB0000207 Oleoyl-Glycerol 355.2854 HMDB0011567 Omega-Hydroxydodecanoate 215.1653 HMDB0002059 Ophthalmate 290.1347 HMDB0005765 Ornithine 133.0972 HMDB0000214 Orotate 155.0098 HMDB0000226 Oxalate 88.988 HMDB0002329 Oxoadipate 159.0299 HMDB0000225 Oxoglutarate 145.0143 HMDB0000208 Oxoproline 128.0353 HMDB0000267 P-Octopamine 154.0863 HMDB0004825 Palmitic acid 255.233 HMDB0000220 Palmitoleic acid 253.2173 HMDB0003229 Palmitoyl-carnitine 400.3421 HMDB0240783 Paraxanthine 181.072 HMDB0001860 Pentadecanoic acid 241.2173 HMDB0000826 Pentanoate 101.0608 HMDB0000892 Phenylacetaldehyde 119.0502 HMDB0006236 Phenylalanine 166.0863 HMDB0000159 Phenylethanolamine 138.0913 HMDB0001065 Phenylpyruvate 163.0401 HMDB0000205 Phylloquinone 449.3425 NA Picolinate 122.0248 HMDB0002243 Pipecolate 130.0863 HMDB0000070 Pregnenolone Sulfate 395.1898 HMDB0000774 Proline 116.0706 HMDB0000162 Propionyl-carnitine 218.1387 HMDB0000824 Protoporphyrin 563.2653 HMDB0000241 Pterin 164.0567 HMDB0000802 Purine 121.0509 NA Pyridoxal 168.0655 HMDB0001545 Pyridoxine 170.0812 HMDB0000239 Pyruvate 87.0088 HMDB0000243 Quinate 191.0561 HMDB0003072 Quinolinate 166.0146 HMDB0000232 Quinoline 130.0651 HMDB0033731 Raffinose 503.1618 HMDB0003213 Rhamnose 163.0612 HMDB0000849 Riboflavin 377.1456 HMDB0000244 Ribose 149.0456 HMDB0000283 Ribose phosphate 229.0119 HMDB0001548 Ricinoleic acid 297.2435 HMDB0034297 S-Adenosyl-L-Homocysteine 385.1289 HMDB0000939 S-Adenosyl-L-methionine 399.1445 HMDB0001185 S-Carboxymethylcysteine 180.0325 NA S-Hexyl-Glutathione 392.185 NA Saccharate 209.0303 HMDB0000663 Salicylamide 136.0404 HMDB0015687 Salicylate 137.0244 HMDB0000840 Salsolinol 180.1019 HMDB0005199 Sarcosine 90.055 HMDB0000271 Sedoheptulose-7-phosphate 289.033 HMDB0001068 Serine 106.0499 HMDB0000187 Serotonin 177.1022 HMDB0000259 Shikimate 173.0456 HMDB0003070 Sn-Glycero-3-Phosphocholine 258.1101 HMDB0000086 Sorbate 111.0452 HMDB0029581 Sphinganine 302.3054 HMDB0000269 Stachydrine 144.1019 HMDB0004827 Stachyose 665.2146 HMDB0003553 Stearic acid 283.2643 HMDB0000827 Suberate 173.0819 HMDB0000893 Succinic Acid 117.0193 HMDB0000254 Succinyl-Cysteine 238.038 NA Succinyladenosine 384.115 HMDB0000912 Sucrose 341.1089 HMDB0000258 Tartrate 149.0092 HMDB0000956 Taurine 124.0074 HMDB0000251 Tetradecanoylcarnitine 372.3108 HMDB0005066 Tetrahydrofolate 446.1783 HMDB0001846 Theophylline 179.0575 HMDB0001889 Thiamine 266.1196 HMDB0000235 Thiamine Monophosphate 345.0781 HMDB0002666 Thiopurine S-Methylether 167.0386 HMDB0060411 Threonine 120.0655 HMDB0000167 Thymidine 241.083 HMDB0000273 Thymine 125.0357 HMDB0000262 TMP 323.0639 HMDB0001227 trans-3-Hexenoic acid 113.0608 HMDB0031501 Trans-4-Hydroxy-L-Proline 132.0655 HMDB0000725 trans,trans-Muconic acid 141.0193 HMDB0000393 Trehalose 341.1089 HMDB0000975 Tricosanoic acid 353.3425 HMDB0001160 Tridecanoic acid 213.186 HMDB0000910 Trigonelline 138.055 HMDB0000875 Trimethyllysine 189.1598 HMDB0001325 Tryptophan 205.0972 HMDB0000929 Tryptophanamide 204.1131 HMDB0013318 Tyramine 138.0913 HMDB0000306 Tyrosine 182.0812 HMDB0000158 UMP 323.0286 HMDB0000288 Undecanoic acid 185.1547 HMDB0000947 Uracil 111.02 HMDB0000300 Urate 167.0211 HMDB0000289 Ureidopropionate 133.0608 HMDB0000026 Uridine 243.0623 HMDB0000296 Urocanate 139.0502 HMDB0000301 Valine 118.0863 HMDB0000883 Xanthine 153.0407 HMDB0000292 Xanthurenate 206.0448 HMDB0000881 Ximeninic Acid 277.2173 HMDB0255892 Xylitol 151.0612 HMDB0002917 Xylose 149.0456 HMDB0000098 METABOLITES_END #END