#METABOLOMICS WORKBENCH scarlettcanny@gmail.com_20160309_9710351_mwtab.txt DATATRACK_ID:552 efahy_20160310_073333 STUDY_ID:ST000356 ANALYSIS_ID:AN000582 PROJECT_ID:PR000284 VERSION 1 CREATED_ON March 10, 2016, 8:09 am #PROJECT PR:PROJECT_TITLE Breast Cancer GC/MS and LC/MS plasma and serum data from City of Hope Hospital PR:PROJECT_TYPE GC/MS and LC/MS metabolomics profiling PR:PROJECT_SUMMARY Breast cancer diagnosis profiling PR:INSTITUTE UNIVERSITY OF HAWAII CANCER CENTER PR:DEPARTMENT Metabolomics Shared Resource, Cancer Center PR:LAST_NAME Xie PR:FIRST_NAME Guoxiang PR:ADDRESS 701 ILALO STREET HONOLULU, HI 96813 PR:EMAIL gxie@cc.hawaii.edu PR:PHONE (808) 564-5938 #STUDY ST:STUDY_TITLE GC/MS and LC/MS metabolomics profiling for breast cancer serum data and control ST:STUDY_TITLE serum data ST:STUDY_TYPE metabolomics profiling ST:STUDY_SUMMARY Use GC/MS and LC/MS technique to profile breast cancer samples and normal ST:STUDY_SUMMARY control samples ST:INSTITUTE UNIVERSITY OF HAWAII CANCER CENTER ST:LABORATORY Metabolomics Shared Resource ST:LAST_NAME Xie ST:FIRST_NAME Guoxiang ST:ADDRESS 701 ILALO STREET HONOLULU, HI 96813 ST:EMAIL gxie@cc.hawaii.edu ST:PHONE (808) 564-5938 #SUBJECT SU:SUBJECT_TYPE Human breast cancer and normal controls serum metabolomics profiling SU:SUBJECT_SPECIES Homo sapiens #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - 106_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 109_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 112_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 115_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 118_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 12_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 121_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 124_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 138_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 16_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 20_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 24_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 28_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 32_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 36_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 4_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 40_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 44_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 48_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 52_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 56_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 60_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 64_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 67_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 70_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 73_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 79_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 8_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 85_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 91_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 97_1 Diagnosis:control | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 125_1 Diagnosis:breast cancer | stage:2 YOB=1954; race=Asian SUBJECT_SAMPLE_FACTORS - 131_1 Diagnosis:breast cancer | stage:2 YOB=1939; race=Asian SUBJECT_SAMPLE_FACTORS - 14_1 Diagnosis:breast cancer | stage:2 YOB=1956; race=Asian SUBJECT_SAMPLE_FACTORS - 17_1 Diagnosis:breast cancer | stage:2 YOB=1960; race=Asian SUBJECT_SAMPLE_FACTORS - 45_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=Asian SUBJECT_SAMPLE_FACTORS - 58_1 Diagnosis:breast cancer | stage:2 YOB=1970; race=Asian SUBJECT_SAMPLE_FACTORS - 63_1 Diagnosis:breast cancer | stage:2 YOB=1960; race=Asian SUBJECT_SAMPLE_FACTORS - 105_1 Diagnosis:breast cancer | stage:2 YOB=1960; race=Black SUBJECT_SAMPLE_FACTORS - 114_1 Diagnosis:breast cancer | stage:2 YOB=1955; race=Black SUBJECT_SAMPLE_FACTORS - 139_1 Diagnosis:breast cancer | stage:2 YOB=1972; race=Black SUBJECT_SAMPLE_FACTORS - 26_1 Diagnosis:breast cancer | stage:2 YOB=1966; race=Black SUBJECT_SAMPLE_FACTORS - 77_1 Diagnosis:breast cancer | stage:2 YOB=1968; race=Black SUBJECT_SAMPLE_FACTORS - 108_1 Diagnosis:breast cancer | stage:2 YOB=1977; race=Other SUBJECT_SAMPLE_FACTORS - 122_1 Diagnosis:breast cancer | stage:2 YOB=1945; race=Other SUBJECT_SAMPLE_FACTORS - 15_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=Other SUBJECT_SAMPLE_FACTORS - 29_1 Diagnosis:breast cancer | stage:2 YOB=1968; race=Other SUBJECT_SAMPLE_FACTORS - 98_1 Diagnosis:breast cancer | stage:2 YOB=1974; race=Other SUBJECT_SAMPLE_FACTORS - 104_1 Diagnosis:breast cancer | stage:2 YOB=1943; race=White SUBJECT_SAMPLE_FACTORS - 107_1 Diagnosis:breast cancer | stage:2 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 11_1 Diagnosis:breast cancer | stage:2 YOB=1961; race=White SUBJECT_SAMPLE_FACTORS - 110_1 Diagnosis:breast cancer | stage:2 YOB=1963; race=White SUBJECT_SAMPLE_FACTORS - 111_1 Diagnosis:breast cancer | stage:2 YOB=1955; race=White SUBJECT_SAMPLE_FACTORS - 113_1 Diagnosis:breast cancer | stage:2 YOB=1975; race=White SUBJECT_SAMPLE_FACTORS - 117_1 Diagnosis:breast cancer | stage:2 YOB=1967; race=White SUBJECT_SAMPLE_FACTORS - 119_1 Diagnosis:breast cancer | stage:2 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 128_1 Diagnosis:breast cancer | stage:2 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 129_1 Diagnosis:breast cancer | stage:2 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 134_1 Diagnosis:breast cancer | stage:2 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 136_1 Diagnosis:breast cancer | stage:2 YOB=1957; race=White SUBJECT_SAMPLE_FACTORS - 140_1 Diagnosis:breast cancer | stage:2 YOB=1948; race=White SUBJECT_SAMPLE_FACTORS - 143_1 Diagnosis:breast cancer | stage:2 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 19_1 Diagnosis:breast cancer | stage:2 YOB=1953; race=White SUBJECT_SAMPLE_FACTORS - 23_1 Diagnosis:breast cancer | stage:2 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 25_1 Diagnosis:breast cancer | stage:2 YOB=1970; race=White SUBJECT_SAMPLE_FACTORS - 30_1 Diagnosis:breast cancer | stage:2 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 33_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=White SUBJECT_SAMPLE_FACTORS - 49_1 Diagnosis:breast cancer | stage:2 YOB=1958; race=White SUBJECT_SAMPLE_FACTORS - 53_1 Diagnosis:breast cancer | stage:2 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 54_1 Diagnosis:breast cancer | stage:2 YOB=1955; race=White SUBJECT_SAMPLE_FACTORS - 57_1 Diagnosis:breast cancer | stage:2 YOB=1962; race=White SUBJECT_SAMPLE_FACTORS - 59_1 Diagnosis:breast cancer | stage:2 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 6_1 Diagnosis:breast cancer | stage:2 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 61_1 Diagnosis:breast cancer | stage:2 YOB=1948; race=White SUBJECT_SAMPLE_FACTORS - 69_1 Diagnosis:breast cancer | stage:2 YOB=1963; race=White SUBJECT_SAMPLE_FACTORS - 71_1 Diagnosis:breast cancer | stage:2 YOB=1962; race=White SUBJECT_SAMPLE_FACTORS - 81_1 Diagnosis:breast cancer | stage:2 YOB=1962; race=White SUBJECT_SAMPLE_FACTORS - 86_1 Diagnosis:breast cancer | stage:2 YOB=1956; race=White SUBJECT_SAMPLE_FACTORS - 92_1 Diagnosis:breast cancer | stage:2 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 99_1 Diagnosis:breast cancer | stage:2 YOB=1967; race=White SUBJECT_SAMPLE_FACTORS - 31_1 Diagnosis:breast cancer | stage:2 YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 126_1 Diagnosis:breast cancer | stage:3 YOB=1954; race=Asian SUBJECT_SAMPLE_FACTORS - 135_1 Diagnosis:breast cancer | stage:3 YOB=1958; race=Asian SUBJECT_SAMPLE_FACTORS - 21_1 Diagnosis:breast cancer | stage:3 YOB=1955; race=Asian SUBJECT_SAMPLE_FACTORS - 34_1 Diagnosis:breast cancer | stage:3 YOB=1962; race=Asian SUBJECT_SAMPLE_FACTORS - 35_1 Diagnosis:breast cancer | stage:3 YOB=1967; race=Asian SUBJECT_SAMPLE_FACTORS - 10_1 Diagnosis:breast cancer | stage:3 YOB=1948; race=Native American SUBJECT_SAMPLE_FACTORS - 96_1 Diagnosis:breast cancer | stage:3 YOB=1965; race=Other SUBJECT_SAMPLE_FACTORS - 72_1 Diagnosis:breast cancer | stage:3 YOB=1968; race=unknown SUBJECT_SAMPLE_FACTORS - 1_1 Diagnosis:breast cancer | stage:3 YOB=1964; race=White SUBJECT_SAMPLE_FACTORS - 101_1 Diagnosis:breast cancer | stage:3 YOB=1952; race=White SUBJECT_SAMPLE_FACTORS - 102_1 Diagnosis:breast cancer | stage:3 YOB=1961; race=White SUBJECT_SAMPLE_FACTORS - 116_1 Diagnosis:breast cancer | stage:3 YOB=1960; race=White SUBJECT_SAMPLE_FACTORS - 120_1 Diagnosis:breast cancer | stage:3 YOB=1943; race=White SUBJECT_SAMPLE_FACTORS - 13_1 Diagnosis:breast cancer | stage:3 YOB=1949; race=White SUBJECT_SAMPLE_FACTORS - 132_1 Diagnosis:breast cancer | stage:3 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 137_1 Diagnosis:breast cancer | stage:3 YOB=1967; race=White SUBJECT_SAMPLE_FACTORS - 141_1 Diagnosis:breast cancer | stage:3 YOB=1966; race=White SUBJECT_SAMPLE_FACTORS - 142_1 Diagnosis:breast cancer | stage:3 YOB=1957; race=White SUBJECT_SAMPLE_FACTORS - 18_1 Diagnosis:breast cancer | stage:3 YOB=1957; race=White SUBJECT_SAMPLE_FACTORS - 2_1 Diagnosis:breast cancer | stage:3 YOB=1973; race=White SUBJECT_SAMPLE_FACTORS - 22_1 Diagnosis:breast cancer | stage:3 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 27_1 Diagnosis:breast cancer | stage:3 YOB=1951; race=White SUBJECT_SAMPLE_FACTORS - 3_1 Diagnosis:breast cancer | stage:3 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 38_1 Diagnosis:breast cancer | stage:3 YOB=1963; race=White SUBJECT_SAMPLE_FACTORS - 39_1 Diagnosis:breast cancer | stage:3 YOB=1977; race=White SUBJECT_SAMPLE_FACTORS - 41_1 Diagnosis:breast cancer | stage:3 YOB=1965; race=White SUBJECT_SAMPLE_FACTORS - 42_1 Diagnosis:breast cancer | stage:3 YOB=1942; race=White SUBJECT_SAMPLE_FACTORS - 46_1 Diagnosis:breast cancer | stage:3 YOB=1969; race=White SUBJECT_SAMPLE_FACTORS - 47_1 Diagnosis:breast cancer | stage:3 YOB=1947; race=White SUBJECT_SAMPLE_FACTORS - 5_1 Diagnosis:breast cancer | stage:3 YOB=1975; race=White SUBJECT_SAMPLE_FACTORS - 51_1 Diagnosis:breast cancer | stage:3 YOB=1961; race=White SUBJECT_SAMPLE_FACTORS - 55_1 Diagnosis:breast cancer | stage:3 YOB=1970; race=White SUBJECT_SAMPLE_FACTORS - 62_1 Diagnosis:breast cancer | stage:3 YOB=1964; race=White SUBJECT_SAMPLE_FACTORS - 65_1 Diagnosis:breast cancer | stage:3 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 66_1 Diagnosis:breast cancer | stage:3 YOB=1955; race=White SUBJECT_SAMPLE_FACTORS - 68_1 Diagnosis:breast cancer | stage:3 YOB=1951; race=White SUBJECT_SAMPLE_FACTORS - 74_1 Diagnosis:breast cancer | stage:3 YOB=1954; race=White SUBJECT_SAMPLE_FACTORS - 75_1 Diagnosis:breast cancer | stage:3 YOB=1950; race=White SUBJECT_SAMPLE_FACTORS - 78_1 Diagnosis:breast cancer | stage:3 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 87_1 Diagnosis:breast cancer | stage:3 YOB=1945; race=White SUBJECT_SAMPLE_FACTORS - 89_1 Diagnosis:breast cancer | stage:3 YOB=1959; race=White SUBJECT_SAMPLE_FACTORS - 9_1 Diagnosis:breast cancer | stage:3 YOB=1944; race=White SUBJECT_SAMPLE_FACTORS - 90_1 Diagnosis:breast cancer | stage:3 YOB=1954; race=White SUBJECT_SAMPLE_FACTORS - 95_1 Diagnosis:breast cancer | stage:3 YOB=1975; race=White SUBJECT_SAMPLE_FACTORS - 7_1 Diagnosis:breast cancer | stage:3 YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 83_1 Diagnosis:breast cancer | stage:3 YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 93_1 Diagnosis:breast cancer | stage:3 YOB=1946; race=- SUBJECT_SAMPLE_FACTORS - 84_1 Diagnosis:breast cancer | stage:- YOB=1953; race=Black SUBJECT_SAMPLE_FACTORS - 123_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 37_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 43_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 50_1 Diagnosis:breast cancer | stage:- YOB=-; race=- SUBJECT_SAMPLE_FACTORS - 80_1 Diagnosis:breast cancer | stage:- YOB=-; race=- #COLLECTION CO:COLLECTION_SUMMARY city of hope metabolomics serum profiling data #TREATMENT TR:TREATMENT_SUMMARY No treatment done for these samples #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A 50 µL aliquot of plasma/serum sample was spiked with two internal standard SP:SAMPLEPREP_SUMMARY solutions (10 µl p-chlorophenylalanine in water, 0.1 mg/mL; 10 µL SP:SAMPLEPREP_SUMMARY heptadecanoic acid in methanol, 1 mg/mL). The mixed solution was extracted with SP:SAMPLEPREP_SUMMARY 175 µL of methanol: chloroform (3:1) and vortexed for 30 seconds. After storing SP:SAMPLEPREP_SUMMARY for 10 minutes at –20°C, the samples were centrifuged at 13,000 rpm for 10 SP:SAMPLEPREP_SUMMARY minutes. An aliquot of 200 µL supernatant was transferred to a glass sampling SP:SAMPLEPREP_SUMMARY vial to vacuum dry at room temperature. The residue was derivatized using a SP:SAMPLEPREP_SUMMARY two-step procedure. First, 50 µL methoxyamine (15 mg/mL in pyridine) was added SP:SAMPLEPREP_SUMMARY to the vial and kept at 30°C for 90 minutes. After adding 10 µL C10-C40 (all SP:SAMPLEPREP_SUMMARY even alkanes, 12.5 µg/mL) as retention index, 50 µL N,O-bis-(trimetylsilyl) SP:SAMPLEPREP_SUMMARY trifluoroacetamide (BSTFA) (1% trimethylchlorosilane, TMCS) was added to the SP:SAMPLEPREP_SUMMARY samples, before being derivatized at 70°C for 60 minutes. Each 1 µL aliquot of SP:SAMPLEPREP_SUMMARY the derivatized solution was injected in splitless mode into an Agilent 6890N SP:SAMPLEPREP_SUMMARY gas chromatography coupled with a Pegasus HT time-of-flight mass spectrometry SP:SAMPLEPREP_SUMMARY (Leco Co., St. Joseph, MI, USA). To minimize systematic analytical deviations, SP:SAMPLEPREP_SUMMARY each control sample was separated by 1 or 2 breast cancer samples. Breast cancer SP:SAMPLEPREP_SUMMARY samples from different stages were also run evenly in the whole experiment. SP:SAMPLEPREP_SUMMARY Separation was achieved on an Rxi-5 ms capillary column (Crossbond ® 5% SP:SAMPLEPREP_SUMMARY diphenyl/95% dimethyl polysiloxane, Restek, PA, USA), with helium as the carrier SP:SAMPLEPREP_SUMMARY gas at a constant flow rate of 1.0 mL/min. The temperatures of injection, SP:SAMPLEPREP_SUMMARY transfer interface, and ion source were set to 260, 260, and 210°C, SP:SAMPLEPREP_SUMMARY respectively. The GC temperature programming was set to 2 min isothermal heating SP:SAMPLEPREP_SUMMARY at 80°C, followed by 10°C/min oven temperature ramped to 220°C, 5°C/min to SP:SAMPLEPREP_SUMMARY 240°C, and 25°C/min to 290°C, and a final eight minute maintenance at 290°C. SP:SAMPLEPREP_SUMMARY Electron impact ionization (70 eV) at full scan mode (m/z 40–600) was used, SP:SAMPLEPREP_SUMMARY with an acquisition rate of 20 spectra/second in the TOFMS setting. The data SP:SAMPLEPREP_SUMMARY generated in the GC-TOFMS instrument were analyzed by the ChromaTOF software SP:SAMPLEPREP_SUMMARY (v4.33, Leco Co, CA, USA). Using the statistic component, the aligned comma SP:SAMPLEPREP_SUMMARY separated value (CSV) file can be obtained with sample information, peak SP:SAMPLEPREP_SUMMARY information and peak intensity. Peak areas of unique mass were normalized to the SP:SAMPLEPREP_SUMMARY internal standard. Compound identification was performed by comparing the mass SP:SAMPLEPREP_SUMMARY fragments with NIST 05 Standard mass spectral databases in NIST MS search 2.0 SP:SAMPLEPREP_SUMMARY (NIST,Gaithersburg, MD, USA) software with a similarity of more than 70% and SP:SAMPLEPREP_SUMMARY reference standards (with retention time, or retention index if available in the SP:SAMPLEPREP_SUMMARY library, as another parameter). Internal standards and any known artificial SP:SAMPLEPREP_SUMMARY peaks, such as peaks caused by noise, column bleed and BSTFA derivatization SP:SAMPLEPREP_SUMMARY procedure, were removed from the dataset before statistical analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 6890N CH:COLUMN_NAME Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:MS_COMMENTS - MS:INSTRUMENT_NAME Leco Pegasus HT TOF MS:INSTRUMENT_TYPE GC x GC-TOF MS:MS_TYPE EI MS:ION_MODE POSITIVE #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Peak Intensity MS_METABOLITE_DATA_START Samples 106_1 109_1 112_1 115_1 118_1 12_1 121_1 124_1 138_1 16_1 20_1 24_1 28_1 32_1 36_1 4_1 40_1 44_1 48_1 52_1 56_1 60_1 64_1 67_1 70_1 73_1 79_1 8_1 85_1 91_1 97_1 125_1 131_1 14_1 17_1 45_1 58_1 63_1 105_1 114_1 139_1 26_1 77_1 108_1 122_1 15_1 29_1 98_1 104_1 107_1 11_1 110_1 111_1 113_1 117_1 119_1 128_1 129_1 134_1 136_1 140_1 143_1 19_1 23_1 25_1 30_1 33_1 49_1 53_1 54_1 57_1 59_1 6_1 61_1 69_1 71_1 81_1 86_1 92_1 99_1 31_1 126_1 135_1 21_1 34_1 35_1 10_1 96_1 72_1 1_1 101_1 102_1 116_1 120_1 13_1 132_1 137_1 141_1 142_1 18_1 2_1 22_1 27_1 3_1 38_1 39_1 41_1 42_1 46_1 47_1 5_1 51_1 55_1 62_1 65_1 66_1 68_1 74_1 75_1 78_1 87_1 89_1 9_1 90_1 95_1 7_1 83_1 93_1 84_1 123_1 37_1 43_1 50_1 80_1 Factors Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:control | stage:- Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:2 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:3 Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- Diagnosis:breast cancer | stage:- L-Val-L-Leu 45205 20895 1302 37693 34230 38691 6813 14258 22294 23147 33512 9317 20017 14255 13499 4591 38596 55221 27256 25314 28443 6351 17854 15899 59128 41820 3047 41473 19870 23778 17462 3178 3390 254 924 1156 977 1168 1876 579 49 2162 414 536 282 127 810 1801 12541 3459 1319 449 429 1701 794 4678 1293 1578 764 546 3612 4919 426 569 757 42 471 370 16875 7 378 211 51 1902 332 1746 2372 869 2934 489 341 5761 884 3443 925 839 785 2875 3859 1048 194 1660 1681 2648 7047 413 555 170 1833 2400 1122 80 2095 3664 3311 1120 45 1222 106 480 3079 552 895 4235 1867 536 568 1488 2033 473 1734 1797 434 2014 10775 539 945 505 415 1930 1280 3436 517 1682 2-oxo-4-methylvaleric acid 15762 25800 17386 12369 17773 22841 12700 20562 24142 26275 20199 24706 320462 1206686 20460 2059592 30850 9878 38547 12777 35729 73564 545015 104950 15088 16091 20946 24749 7444 11411 19864 3242397 3533767 3129058 2806632 4139657 4097678 3854241 1914004 3878057 4884950 2564890 2182543 2610204 1451175 6989674 3886009 2019491 3301044 3028504 3354703 2429862 4777047 3454292 2895724 2215430 2120747 5686530 2805775 2250240 3004619 1547713 3130183 2913356 3972287 2113909 3345456 1580496 3459757 2502535 3047859 1543400 4326709 3608517 2965137 3770211 1965347 3227752 6065433 5941084 2371420 3668977 4718190 3536336 2840387 2054273 2932658 3193594 2615018 5739127 3318012 5305788 2730626 4062802 3720063 3770810 2595364 3933399 3859455 1941336 3059470 3691688 1929716 3249690 4289571 2265541 2932008 2287456 2571963 1655489 5586839 4341311 1552 2356766 2702381 3858325 4583545 6213160 2833612 5831438 2559256 4997959 4916578 2236817 5584497 1721938 3465529 2593561 3100823 3476495 2641979 3861821 2602991 3347614 2-oxo-3-methylvaleric acid 27866 8902 24947 14893 51128 82246 73719 48643 38261 15309 73771 6743 258086 474707 107971 648486 270276 40328 224233 2067 147937 333083 702841 273992 2669 30223 23338 20561 34926 14707 24304 1539013 1371187 1599784 1218374 1245292 1811636 1339779 1011431 1592102 2074938 1231845 725232 887829 680760 3099530 1493017 1058187 1106775 1235914 1337140 1398276 1734806 1299406 1002549 1015612 819275 1954554 1085466 982416 1102256 811743 1507784 1158476 1463649 1017680 1193944 724686 1762286 923746 1185437 1106145 1935086 1236161 1044417 1277626 718562 1702390 1657433 2295025 765394 1650157 2088070 1261028 1203975 842060 1341261 1264978 889650 1862109 1239456 2318216 964986 1718000 1246919 2011390 966476 2050363 1226421 780586 1572904 1180775 761720 1136862 1747658 619387 1009189 1237389 1231676 585558 1842034 1642638 788 909659 914127 1371191 1520738 2447997 1335921 1748084 1258431 1822022 1703482 887645 1753989 703732 932797 1023333 1079683 1403138 1113604 1515371 1052309 1388650 Isoleucine 28332362 16297436 24650653 26380290 24850831 28184587 17722075 26793963 31206149 23686032 28910486 17485843 27221229 14380637 16986583 12113777 31163267 29479469 22005778 23880869 27906538 32529001 33983587 18847197 26050226 32921424 29521501 23311168 25913764 20054413 23700740 41381293 8590475 12778325 13604037 9768917 16937907 19565993 10471354 22907110 28194929 18386869 11598530 12763794 10086525 17406302 16434653 13772444 13809488 11717512 19193084 9566373 18055947 18402756 17125906 14288940 14420789 21380721 10413464 13331733 15669004 13015541 24099992 7134052 13232566 12129014 8211252 11777877 35687425 13012329 8475119 15736475 16406942 14315684 15677007 15390104 20669492 15711523 12080113 16098789 12058824 12936344 24359715 16488789 14860809 10686371 23920715 8984351 12451146 14544032 6239729 21193106 13528676 20987699 15422479 21009016 15721328 13248085 10425089 12988328 9985316 14627680 8117085 12864875 26848115 7601291 8341749 14990513 17203436 7142511 26005288 9959456 16794 6731329 15900021 12333146 28915814 14730679 20005349 13131794 13615433 15625886 20888395 9424465 10302155 12366686 9826100 11898515 15708320 16496712 20540264 12027017 12293283 20064845 Arachidonic acid 1251101 2312451 2363763 3388035 3051550 6704985 1724641 3697105 5228997 1825656 3790205 2060605 4732341 3366876 2140635 2563053 4144729 1428648 2550293 2940902 2721274 4641340 1603208 4905682 3190811 7773566 3814876 2317843 5838999 2676088 3117209 628756 863293 536015 534656 436291 579999 528721 862957 2569158 1135835 815992 985693 844457 1339095 727676 888040 492965 1097875 864981 600073 434772 916749 721312 682964 792070 948174 991708 985548 1149023 945916 877078 681733 860880 1059941 417190 802789 601762 2478453 810738 571675 968768 1316637 1007054 993493 605818 2875815 867551 1247598 411685 1052383 563690 749194 1148286 586669 996889 1007151 815337 594181 1126684 802807 843632 873284 544349 1080909 1334044 1043161 668805 730566 816920 998286 1020333 683524 880744 958621 869001 836629 867701 517960 824004 640962 921216 594473 581256 617462 900549 1125123 987591 1305474 1891579 1042066 1289928 572846 669606 1262591 909911 1120249 833451 1136381 710178 372243 620111 636410 660973 Decosahexaenoic acid 445307 406370 466598 708099 675965 1254210 376917 996713 1557966 459159 1114253 533557 892376 618042 806804 597161 1010151 641011 667563 645850 1255540 752863 463018 1118140 832651 1797726 903700 867033 2278232 623201 885211 252358 172978 527089 313837 215967 249610 112105 144268 161215 179185 132274 307408 102890 233348 448587 142586 132253 250033 150722 93733 157736 134031 93653 174157 73696 187035 220351 89974 114681 119571 114326 109714 171074 184786 61885 286127 240695 1803301 135455 191004 175595 195259 160460 178059 462544 700602 141489 105323 182934 248493 195465 234788 226749 114395 169391 110786 149354 134748 261970 341906 293217 268903 233291 198748 275516 92098 178273 195141 185556 294382 132061 305446 166293 195797 171929 197716 268046 130177 104944 108470 331770 96285 225572 96610 159781 123411 199557 186566 145116 112670 169907 239638 98933 25237 121169 455533 228365 163370 836403 97107 293164 202871 160506 Linolic acid 11305502 12677707 7880792 16743410 34518415 32207813 15637864 19616342 25298249 12324529 20834724 9038934 16881554 8038045 9205273 10352834 18769660 10851306 12602317 14156922 23510495 17405719 12481313 25010494 20825975 22187395 25523374 13702295 39054932 11959224 20391182 2589835 5193172 10050221 11466234 7561727 3920276 4062924 12049093 18042840 2012364 3120278 24807405 3810244 4927630 1901366 6713231 3469244 4649492 3554790 2373162 2163579 2211700 4854595 2403921 6269413 8718484 2422946 3646919 3498047 2691782 5584805 2500847 2083181 8134633 1976796 5360517 11553945 50788794 5566227 5564555 5659858 6761145 5888873 7539809 5567625 56994773 7467903 3807876 2236775 9501898 4949671 3067813 13453766 3201483 10545685 10768366 2901259 2898352 13709796 5753203 2478921 4135796 3718882 5486352 11129525 6791986 4921895 5199769 3209792 5548660 5614962 1692252 7784728 3278084 10002834 7119819 7554213 2363762 16720738 3344244 5174225 17803467 5610696 3205284 3492079 3846807 8987744 5950991 2256886 10533239 7158196 2422296 5815687 20225888 5500112 15087456 5268505 3755696 3549281 3748269 4527458 7239583 3942273 glycerol phosphate 1582881 1293689 1515510 1628671 2144510 1678582 1382160 1582920 1737442 876203 1642177 677202 2229420 1370772 1168623 698775 2333318 1921727 1893210 1199592 1237551 1064124 1062065 1798373 1295102 1694579 2702252 662454 1460220 1523813 1067447 908221 1047786 178190 602678 961515 372309 493945 564839 911278 917360 844134 464055 909651 591625 569529 930565 394583 516244 825808 286868 821252 718505 647085 688352 574540 552179 948399 664285 824230 1074199 1235295 960173 1093726 569697 537506 947175 411479 752639 603872 951276 399979 616316 699007 704799 782298 1076422 629648 631580 738935 766000 939815 1090349 405788 972885 830528 346867 797002 706477 460389 1002431 1175296 828440 825875 410218 868000 640404 894312 347210 886851 313474 408785 759523 411538 1067358 630394 618781 1066284 642504 765753 275047 805526 91291 882035 610602 1115099 822115 846415 825226 1195469 534165 579580 758560 767391 1031626 407071 539158 570215 481816 610540 716551 619585 620828 652927 Caproic acid 434965 603161 394596 388265 602540 443055 488175 966371 1357590 280059 462727 287532 281024 251466 526862 201783 543045 671989 109327 604182 727825 157474 294272 410680 348355 440633 814110 322327 1596067 484255 491925 174536 92012 147958 103135 177369 184960 85064 243107 97583 105320 54772 108110 73178 134373 58353 108300 136696 199029 120235 144297 98427 175600 119488 126819 123242 247666 200781 167288 98578 273863 235079 61197 143405 120988 187 129529 104687 46558 60197 113374 55863 42923 100275 101956 112328 167931 127876 45120 144496 178227 145882 123216 114785 157569 163839 314 97629 133059 115635 149521 128169 195997 147195 66479 199694 146510 111642 199294 115166 173023 116096 211626 122123 209277 169904 193695 160592 112997 104828 98587 150107 95023 150707 93655 103013 134830 107786 37055 113903 67312 100999 91879 106205 103695 98620 78032 123347 109528 99199 131386 108096 113507 112483 Glycerol 110505410 130542660 87468796 111622715 120105186 180679946 79170375 92834956 213432064 109938766 195122451 91871316 251556116 97587585 120299400 101309010 236473130 121422278 132451162 116047154 382511060 150206428 110488997 170965406 181354508 176187458 181633882 101327914 501891087 113044989 169135949 17589468 28098638 33445066 33239384 46571705 15005191 19195695 32547862 116465154 28265138 15585473 65096230 15668315 16992073 16008042 20210688 35306851 42981795 14779123 12661643 19550926 19023058 22866924 14565684 35768719 62680650 18161791 13878799 29806349 24886590 20454984 31533966 28822964 46116320 22972524 24235392 29267966 185737564 17364420 20822161 55117939 34562893 42743500 36671717 17003643 410216237 52987354 49553808 22895241 45988043 17233441 24828390 18736686 15940728 28584922 142342190 19120638 18052485 41807405 30666309 21187523 25066740 22597364 29191598 56939879 50212960 21529960 19400714 21337384 21609376 26111047 26739296 41191376 21386864 29895734 29280259 57257585 25158754 75501874 16519289 20213760 126764575 14145515 21442631 15252040 39071676 28630853 43514572 37425350 54783347 37486942 17662426 23554173 109618382 29245659 48980505 28120822 23013076 33919178 24054206 29600443 60812549 21567408 Hexadecanoic acid 55736079 57089391 33969805 60562309 80322359 88646044 41033186 51692999 87833430 31569343 82136172 31702457 76791791 47964115 41633190 34039927 85097862 63862591 45639667 38270673 84770209 74633747 36932349 63341316 86496659 65230483 132824199 66902246 159566879 52981865 69560212 10157588 38558437 39840782 19315447 30774391 11613719 10865684 26492102 105025244 12921048 13607777 56361423 16276774 10688880 13499834 20228795 8992680 34357236 15299607 6478836 10766059 9913814 17157096 9162555 25010258 31510810 21669030 13372941 31920759 11093900 15828418 12435129 10529121 23991434 14049088 18728671 21773545 88101760 17094462 22486731 43551827 39028283 28687218 33378161 29681104 218706449 24191174 40467283 8224478 33620648 13661435 12905716 37853609 7659561 25193319 65706385 13626046 11299042 54135808 15921732 11141783 15454246 13750543 15360048 56567756 42764096 11910649 18819782 11377273 15213021 28025929 11619265 25768377 12828312 34590386 26228099 26212065 15344009 59311631 15348669 15702548 69501176 10184426 11742245 10982251 17230662 29116263 52702084 23769923 40601120 40007830 8695968 20475674 119946108 18854092 43093848 20923101 28397940 26905340 9250564 17217488 29190210 26937992 1-stearoyl-rac-glycerol 118505 181957 99038 145168 184941 346660 104014 160256 143706 166441 416705 360581 199119 176925 285351 199194 315612 255946 141910 232396 232165 256092 211421 139704 288416 447556 370899 280366 224653 245441 136965 84678 27835 151171 174201 80826 51331 181922 64394 141149 19068 232434 294445 36126 101738 83003 186881 48216 37038 55571 144435 24003 50685 52566 65861 59177 90947 72415 105022 33967 127485 88172 216086 107375 176646 153974 244540 123571 85621 179216 12180 87493 270767 216272 155865 191208 282353 195175 257133 38950 200940 140007 67450 149383 258970 88761 316720 41191 76008 224091 35043 24668 59211 18182 256676 115898 145505 27167 67405 186505 122189 250542 106712 203942 161192 62087 141973 175679 172404 190263 180169 42380 332413 154818 212719 182039 145322 181517 296378 281741 231786 243783 278926 178988 142041 226240 218390 371415 283054 69480 204276 79570 97651 206029 Phenylalanine 50513858 41434484 37578417 42228399 39227610 35762279 26212637 31343058 43554556 35424000 44921639 34543104 45150802 31028661 29189798 26099730 45083428 52496130 44269627 37383136 41431782 42930869 35190668 24944134 41588253 46264245 30946380 33701873 33438882 27821122 36179832 22456572 11354785 9981284 13452475 10223692 15328990 17700346 9606321 15300554 18106600 12489268 10252943 11002147 11613665 10775348 12216922 17127020 18259129 11112444 12187612 9129328 14844321 15105256 14229976 12184629 12789832 20109377 12878245 15603551 14895224 16750786 18943188 11783489 11389568 13851091 9190357 12137107 24037924 25337208 9848171 18722895 14651557 17223027 16888330 15155379 15321432 15501356 22449042 12583218 11606914 14309212 16083196 15781927 13358182 10106415 22835313 16857697 14381268 16229983 8735426 15273337 14399777 14842596 19418709 15052246 15246369 9282881 11417171 15960669 9593497 13161861 11532658 16130897 18819637 9201559 8025006 13672096 14263935 9415417 16139189 12898372 925 9750210 15261847 14727259 22574306 11189610 15246490 26582415 16161469 15524406 19798549 10386270 13506631 11678940 10701034 16820042 13204111 15874516 18337250 9847642 16946717 16295580 Glutamate 32099719 24086495 26008024 31626892 23011805 31555896 18834329 22747541 40622104 28635569 47508469 23195256 67277050 25556031 16400420 45176926 63649434 30285200 35796002 33171687 30531598 29266023 25631436 30410706 54339023 49969270 39469857 44611485 52952336 22669565 37475400 3528602 2646712 4094446 2514884 4471455 2630107 4493962 2662388 9831596 4513399 2495039 3109461 5155802 4057469 3521750 2282488 1528308 4864920 2385471 1713380 3250038 2930560 5033448 2257673 2885519 22307640 3320196 6504021 4917477 3678866 6598253 4134453 1355652 1876249 1972755 2069617 3605892 3599508 4952376 3044739 7432604 4500353 2272090 4367429 4415623 3627316 11005479 4736107 1995369 3285042 4299290 2181465 2748726 2050343 2472319 7866856 1944204 4991774 2529941 1835862 2380087 3404087 2788472 3922444 3294950 3807883 1978431 2125697 4241674 3127852 3079718 2152578 3888127 5176871 3783272 1146519 4573231 2139123 6657153 2245484 2697545 33214 2605626 2283849 4171692 4655102 4113351 4737803 11711252 3106034 5563814 2367287 2875667 3074494 4483873 2283838 4885436 3518687 3602409 3050301 1728592 4481946 1725848 Alanine 177906092 169100792 195896654 199911378 129361850 103210595 114669707 123322595 157325612 121265200 162177536 106877524 217511945 117939723 75651925 165821901 184409212 168837591 154809087 124721740 151552476 209552520 135642101 111085902 175741541 138752765 146032217 172923893 161459832 120726125 131884470 141996361 78251341 44896416 66122329 83288072 99092109 98550272 51785203 90339600 93483399 73251986 72502164 72585741 96199638 77146326 93343399 114441538 109067995 99445607 158802108 68950913 148062212 95407560 95453614 114471573 68777453 87697817 76240905 64632793 112952407 82917949 113511417 67362806 70882329 73773595 43100402 74235858 117861675 82169375 45347250 79792463 92343945 80718566 90017068 107142712 63605368 114752128 167849030 57805071 76248961 101223664 93902171 101126545 137062861 53278839 105595062 178295690 64742366 69096452 58342850 118767724 79110767 69906555 135448671 65123210 88804154 65523288 104865292 187820699 87715997 99584758 58198485 102992147 104991996 42446766 27848235 56339603 96432400 132745601 114930066 62613027 393 59752526 66667361 87219948 113365554 90936416 69416282 207664012 84809588 71220011 151978409 89533020 248891214 74377587 88042816 107966961 84418171 105346326 99992714 73721524 103812259 89979140 Threonine 86389003 40079348 81434882 63297558 46452852 57383747 42984931 56607247 73385516 43495574 47493825 33492784 53137179 30926613 45150981 55595749 69747871 84315844 58472668 48403275 53306799 48761328 49449899 31244277 61373426 57582277 62854339 51348287 46348605 55396393 38312520 80092222 23247109 25564129 19803454 31913409 35044730 28062038 16435834 24813232 45445060 47690200 37934591 33950284 24891475 18535668 31601525 36222524 30411790 34815151 33723733 21817701 31706964 30604416 33569980 41868514 23995477 40121219 25763152 24767401 38524330 38080940 34130360 19827244 24950179 27468031 16531948 40846094 45462264 30793630 12149046 23617416 21828287 41929729 34268698 32737197 32995243 25696686 38364617 25649644 27054725 37024055 40960212 58442448 37125822 21209349 34186762 38787668 16977656 23977649 18449507 34509201 36009479 18259267 34477300 34131166 27444947 24536309 19905283 32111265 36551267 33236047 15472649 27637092 34369051 18714112 14513070 34636567 34461090 12703515 62885248 30594422 658744 19236290 26257639 27264022 28099380 16296520 17823436 37474877 21405421 21478867 38661476 24999189 36297761 39266589 21577637 36538366 47429371 34164999 26152163 36321868 26337441 46415012 Tyrosine 17895691 11516660 17014052 16353461 12781588 14302581 9623430 12782276 18976379 12255283 18394515 12137810 17166044 9253357 10094614 9038344 23652062 18477914 17048872 11716639 13625187 21565233 15371485 9196332 19332023 14815607 11338209 15250675 13203215 11868941 15004694 14939786 5470163 8047021 6169033 8832595 9300074 11559341 5388419 10404773 15019062 7538059 8649381 6566522 7166585 9630708 9981898 11423988 14332749 11507877 9973642 6708418 11928974 12246383 11726966 7525569 9391902 11683920 6747101 6676106 9828176 10050653 12174395 9263778 6882454 5554508 4968892 5983580 17204831 10721882 8191109 10723094 8513648 9641245 12237806 9189808 11162792 8162312 12639719 7865123 8370834 9722626 10446166 9400745 6216849 6371756 16847935 9058535 7597301 9085728 5253217 14230193 9650988 12945186 9637468 12340234 15958591 6457674 5669681 10589996 8835818 14541139 7270270 10126952 13877511 5209175 4376203 8255264 11474260 5006640 21191714 6719756 11236 4693472 9759576 6813556 20148423 5189521 6702539 11921175 10211110 6989574 12667504 4796206 10966961 6545119 7484561 9610509 11621039 11189309 14406391 5171389 9691842 11740643 Lysine 85866792 58901031 77859450 76770140 73203468 45530440 55482322 55116430 80269692 51152752 73152922 50342295 51814083 46058131 39951188 35907402 50744853 85031758 64824251 59058855 39828345 72033308 50804205 29730658 70566569 58686632 48246044 56347846 73022918 48041985 52349280 85343957 36180784 26236900 28906986 37055831 36972627 35259000 24221085 41953885 49983633 38626735 35318122 37513503 35461304 31174139 37669515 34278613 51116351 39156909 37851341 16338021 43273361 43670048 43223042 42510952 34834561 54131195 29384174 42536649 44612631 41753623 63482037 20669761 34023774 78097550 22673433 17327839 49297996 33850314 17895542 53960173 42194730 49303971 42073221 49498838 73261123 33367503 59835024 21808229 33648979 33244204 51035017 52599472 44247860 30536879 67424212 28528698 35275931 34805037 24858620 32063258 47276551 24309715 46356865 38792559 43393885 26150358 34492639 38691657 18599022 46236977 26851799 30972030 42372712 20281989 20538683 36160797 41609289 26885125 53139608 24356116 19249176 18429578 39059962 40435002 63574631 25755290 39655183 67391589 59982623 43128888 46101601 26868625 38068303 29476575 35039549 36891465 56351769 44206794 44548544 34404487 23328455 49111434 Asparagine 3871745 5369868 5810336 5077318 4668735 3839986 3774804 5028581 5873198 1575065 3027747 1551938 1208293 3560393 1677806 2833402 1278749 3555312 2576350 2541596 1406586 1469461 2030885 2025198 2613900 4880239 4439975 2661712 1091286 2321530 1649645 8854659 3688750 4484672 4876934 4060686 4683666 3516496 4141619 3765993 5798316 5152909 3295282 4580793 5112697 3526350 4765237 4422809 4504823 4627669 6138004 3286124 5382797 4371307 4224576 5074043 3141856 6751100 3860905 4033929 5930850 4683255 8638993 3668575 4453453 3654387 2929694 4461324 6345283 4669265 2379479 3973932 7247319 5311994 4909953 6159532 3446137 4144172 4784308 4215012 5780122 6127164 5676328 7453064 5044243 4252058 6137907 5491492 4737382 5686605 3523250 5233188 5141865 4002117 6115045 4359897 3996710 2924548 3069830 7086095 5684071 6393496 3482951 7415678 5944846 3907809 3128885 5530384 4170146 3519837 23045708 4488385 239434 2969997 2868952 6130759 4659627 3443373 3439890 7522184 3456546 3353007 7048904 4086213 6182670 6692878 3129008 4866902 4102903 3509487 5946514 3682105 4213690 5647058 Serine 40439890 36509365 47441969 35981624 34564784 30309133 28279083 34270151 51669818 26117077 31907278 26739578 35577350 21012449 18767886 18303414 42950167 38241464 31182442 29907050 26638987 29093592 24300708 16873171 30115884 27990509 30748537 26683038 35196511 28349099 23752082 20842348 5105196 3365283 9849191 11017568 14976498 8927996 9721871 9979526 11882839 13317497 13631498 10390233 12482020 4676164 15492847 10654819 9066341 7915277 11411712 8247875 15612158 10572206 12476890 11136028 8777079 13031511 14045771 10312484 13745723 15081722 16526052 6843751 9167464 5376153 3717350 13650412 11129964 12509206 4206682 12537867 9081627 12185787 9507186 13680755 8403267 9252464 12314667 11790816 11552958 10841757 12134369 17125796 10829851 5371209 8292403 12633255 10870680 7897381 7415279 9122258 10914570 6864514 10991020 9932554 9618344 7762980 9275797 13759591 7369705 11774271 4776552 10637081 12860607 6476783 5094766 7590048 11227462 3390589 17610985 8564679 628 5493708 5359284 10963078 13260695 6361982 7191153 19856166 10743356 10039515 16085094 11427867 9736312 9026647 5222809 13431679 13101787 10393646 11248401 5274149 12701284 17801177 5-oxoproline 49181479 39856033 47518922 48950183 43453684 67424801 32950144 45886904 67642290 37294314 49298183 30516324 55969640 42667635 45358867 41465408 64383723 55797144 51498612 61496800 54296051 34618963 41137087 41991804 54553051 65282572 67769852 42046994 90063385 43154699 35236167 20379291 58545955 31660807 16436275 20976487 21191470 16993213 12850338 19972619 17908127 25102793 16036719 21000893 19242834 19392331 17556304 12046126 19806215 19491434 18682706 24593892 17047748 16887763 13663851 16681137 14185265 24939151 18026059 21470291 20127799 21309719 22071517 25982776 16448075 14800946 21302417 19665582 19496963 19948408 18570144 22843515 23386289 27018943 16756767 21423312 15248894 25224224 27635592 17458186 32829405 22724239 24561389 26339179 15447624 18091412 20885503 16180445 15296440 39193594 19770205 17585762 17739706 25540555 17221112 19494369 14781013 17346014 13201881 21563610 29603439 19045151 26887030 19327625 26551363 9468430 22522758 23210258 28871973 36374751 21936302 21814373 2192 16143912 11876267 28884568 20908759 31997478 16111146 39579863 40024412 18065901 28820579 24101304 33294841 18062008 17228529 19982762 19793410 18897290 13282570 15371913 18183128 30772802 Cystine 274732 441028 413309 491855 481508 772964 267974 136438 263424 699025 488947 606440 108792 811771 364409 455167 69717 331653 535190 292978 287018 527908 460857 273390 442277 182291 170074 527886 76547 210995 253213 1903655 1142239 3786185 2438611 2206776 1990749 1820740 1265574 1627870 1696410 2700200 1695862 469042 2166338 1910226 2582237 843542 2004678 1293552 2838251 636711 1615355 1476186 1452556 1550195 2104862 1750127 1776027 2333643 2145892 1377642 4459267 1861129 1934510 2701056 1569939 2154737 1541545 2267028 458362 2564679 3770791 3541470 1857857 1812011 1169120 2054036 1722178 1272382 1692476 1360905 1538011 2642845 2471207 1907554 5849264 1104751 1488083 2745745 1318249 1366031 1694556 1084295 3410633 1533415 1261918 903215 1468173 3177519 1580806 3827997 2594640 3529568 1783536 879425 1325808 3463490 2299337 3400791 3060886 1525293 57 1246245 1486291 2818089 2859315 1281444 2174639 2141279 2304107 1657302 4616026 1863155 1361600 4020898 2053256 2219678 1857480 1547703 2865250 2250795 3131512 1283743 pyruvic acid 6408 3366 8577 6609 4189 10681 2757 5351 5389 7347 15927 4417 14287 10736 5753 490062 9312 6915 8673 17273 79192 56397 18434 27751 11197 16982 13068 19431 22837 5079 11784 11388272 14724453 3607999 8511032 7234445 6577427 12058005 1832963 9187156 10369258 4052438 5773245 2945648 5383849 8933297 6312980 16719944 3559161 7779564 13345313 6677099 13701540 11607288 5616573 3805508 5050645 6535778 10709596 3832100 4461773 3076263 7958409 10081145 6127354 5282454 7343738 5208067 15260504 3203341 6165993 5184342 13344027 6360948 5839781 5848455 7745308 14275597 17958677 9726677 2994135 8704409 8478500 3396102 11957997 4528435 10099288 28395379 7293259 11161612 5242191 6483235 2642772 4666652 11763306 6377688 11170877 6964759 5915205 9044386 10046100 9922677 8331489 8665059 5335549 3332199 5157749 3723890 17669047 12441635 9752183 9820912 321482 7481774 9688461 8937133 8093259 21658529 12875778 35605389 4853189 12625287 7179295 6633059 27605623 4326968 7600525 8890403 8468694 3254221 11633013 10080170 8920839 2850990 Succinic acid 6049937 9138111 4377828 11387410 7383510 4601918 5448570 9604626 9990896 3979348 5756494 3762683 32945646 5987029 2367097 7300095 19718977 6314460 4493395 4752642 17263578 8341225 4823729 6052248 6480271 5508492 13877370 5982064 6201034 6294455 4961951 2552157 1408011 809266 1140622 1381926 951038 1282528 2202181 1211976 1360348 1660587 1901614 2974580 2556589 1394967 1659266 1404417 2651067 1685955 1438771 1525348 1998827 1589480 2037975 2813278 2236630 2655339 1961949 2208404 2263473 2566637 1907818 1545663 1293942 1578797 1006313 1036587 962424 1590444 1654345 1922960 665521 1587817 1245873 1555422 1056792 1812290 1388663 1137535 2111051 1675497 2024299 1547390 1084091 984671 1385019 826462 1703666 936213 1850752 1718891 2339564 1769007 882820 1910252 2020108 1217065 1734208 895620 1211107 1814329 1434602 1100889 1598920 445022 1087445 2090974 1108958 895488 633824 1135359 623 972554 871011 1711350 1235541 1518304 1281990 2832351 1477171 1199366 1245289 1686798 1338875 564789 1207585 1561671 1261589 2550323 773538 804809 1124885 1614601 Malic acid 3615236 2679874 3260553 4774938 2705589 4740773 2868826 3608131 4175414 3915332 7422550 3902456 25879952 4827326 6110413 6381113 16096520 3822753 6107067 4320112 16395829 6007877 5182111 6856744 7567860 4432182 5946952 7321086 8667766 3122141 7812298 1250282 4027618 1415860 1937907 2589359 1728334 1346499 1725244 1528129 1535395 1443632 1219519 1359338 1036117 5961308 1047660 790051 1322948 1262229 1238991 3562510 1509727 963587 916661 821059 1064407 1229647 1352216 1126119 1252952 1914608 1031144 3040680 1050245 813249 4711020 1107619 918417 798588 3142248 1134804 2303088 1151186 1043634 1215707 1009013 1835008 852231 3224055 1074441 2309501 2494782 1162397 1629302 1938516 1056512 649249 1210478 3730374 4186352 4660457 1066686 4952863 1310359 2347999 1033339 3132102 942602 2099455 4439762 1134342 2230382 1490267 3502660 1168129 4112680 4582355 2502661 1359046 1503848 3331590 152 2064139 715272 1402119 1234136 3904561 941852 1465638 1993029 1593255 2088420 1351585 1935358 932384 1619072 1334069 1016759 1140364 1278873 1930418 1205717 1499472 Threonic acid 999298 4042506 2631817 1632001 1654967 1366041 1456316 4264667 4694405 780827 2205685 1166796 2260234 580525 892358 4102682 1049183 1055875 2032704 933726 1280049 1043416 386347 1473281 1232678 969798 2381632 700068 2113519 2315150 1863641 9093653 6953331 13148886 15105796 8105985 7354655 5392872 7513583 8512887 3831825 1661189 3410922 7922069 12413804 18113956 7864610 2652587 7474675 8534826 12926428 12421479 6594227 4910716 4047644 7215331 5436910 3928226 3920211 4133776 8621197 4013415 8788134 18203938 3066862 5139230 2971297 6577345 9080683 9319262 3146319 4748779 11938657 3217580 4278080 11879971 3517225 3130747 4082070 9600587 6973039 14047102 6034621 7646370 2003725 9857048 5101850 7808481 18807948 7070568 8571792 6745349 8613355 16531127 8925507 552860 9156514 5726499 8389318 8281538 17357721 14219394 9327240 9822492 7874846 4539388 6009393 6988790 2874627 4895884 7354830 11032941 0 9106844 3161306 7305643 8721396 6763234 3012564 5745572 5457816 6234094 16381808 11679091 4241269 10230226 7344232 6034258 6214894 6182964 5695961 3117544 1538810 9663096 2-Piperidone, 3-amino 11332038 5078532 6846843 8296573 5887418 5794158 4764607 5305776 8498561 5694989 7580074 4116104 7939075 3520402 4072262 5664153 7744072 8851911 6152045 8292280 5866107 6405339 6837724 4850462 11262762 9215717 4629332 7421225 9535761 4976215 7117375 4713234 1376277 1552624 1695218 1222999 2541064 2303552 1498742 1913715 1688610 1420063 1996646 1586312 2217930 665082 1481658 1865110 2394090 2418034 2487855 655185 1795006 1445141 2329742 1675309 1805344 1970508 1492285 1194800 1399855 1342176 1888051 1200772 988367 868494 757470 2656902 3057848 3083888 542565 1427591 1572370 3246864 2498565 1929649 3678573 2411721 4184674 1667622 1188877 1848158 2244871 1637141 2167585 1368300 2787973 2131125 1430722 1329958 1752945 2025888 2288730 1917157 1222516 1589287 1995979 866221 1763011 1327255 1909843 1984801 833195 2032311 2077839 858792 612521 1033936 815644 2434984 2162843 1953559 3036 1130215 2041098 2106488 2392175 909069 1296098 2410414 1171965 1529836 2314278 1945807 3407599 1912143 1371880 1879055 1991091 1423500 2176695 1195270 2679001 2759842 Glutaric acid 240789 211929 135478 274868 290253 87183 206840 344773 494404 144532 124800 129773 168331 64535 113110 36548 104361 174549 73518 119286 18695 138977 42661 20643 143517 286500 351503 142817 221820 82992 105988 55753 21448 13764 12531 6549 41512 62378 47470 56844 72038 52492 60902 80784 32478 29520 40779 100226 80465 63997 35952 1141 22928 83908 64865 82096 115587 142835 124016 67446 29519 34259 85071 4983 28446 116511 3993 20710 119335 32270 33547 65541 32858 53429 28884 20000 42714 14421 43281 5267 20182 10982 33332 20612 33074 12168 64308 53653 26410 28549 7223 18474 52243 20720 153373 55248 105993 9064 31822 5458 796 37713 18454 59946 1373 154 3681 66737 47558 40248 58821 1564 18420 1210 35813 25881 25432 29033 100961 106005 134953 45641 16067 44531 66798 51930 12588 18517 61691 75689 45253 12902 41929 37631 Aminomalonic acid 21845438 49956839 35316102 35095431 37991654 56683920 24515371 26049511 39723360 26118024 41895251 31598996 48087285 66310945 95431973 29890001 65846008 32739483 50937167 21498297 52105058 16693090 48957008 33038515 22675214 34105578 24233961 12957253 43456283 43042035 22164511 18489038 27723182 14662476 18326147 36368484 15122889 9490214 15069108 12151691 17736396 20771154 16214961 17178594 25298462 14130096 25340635 8613279 10016595 13755307 14055810 33142347 22010781 9854094 12467516 18635846 9452706 19114687 22235579 26571938 31453363 23191843 35537318 38777242 15372429 18309518 22814974 6988598 6068485 11962802 20349067 7768475 9914539 14923295 8852438 12649136 8462487 36953731 10131511 31507298 16718231 28281325 23708972 16015991 31064762 20050388 8770858 7371165 12457781 14676671 29702749 20572571 17472557 21171027 13048338 23299457 12013671 36001765 21782619 42662523 26039989 18844311 18570684 15335612 39335589 8069809 29047213 44762061 22087396 14973770 14258903 13791167 14444 18992304 3901062 20847850 9545983 33691855 7353388 18009945 18166359 12657957 14221561 56570007 14417761 6550214 21555410 17366318 8937155 20914948 11857014 24288128 9200598 36304879 Hydroxy, acetic acid 755848 659603 920178 704305 1032179 820034 957052 1171309 1285030 860573 1017111 511784 700318 787364 1755162 863035 860527 920191 673392 1180196 931190 553874 748260 910248 653444 603903 1007561 712698 1242706 1090113 932548 730539 438066 1211731 571735 591153 500325 486811 566188 873268 707445 580821 581668 1373272 609372 516902 405912 463307 846225 467483 725387 523705 566549 370660 489815 692665 655990 612090 517585 466277 567997 517717 629157 835813 612756 358797 611386 605515 806047 470286 351637 499747 403040 545052 583999 475368 488958 839247 640936 561954 630341 464128 643824 535253 1111194 501558 628983 501578 607797 710033 697986 515501 926740 698352 348955 590327 479565 391349 363055 471791 1308592 557000 703438 519020 761055 38807 692279 928869 574342 316081 454529 636098 390396 473373 505102 492907 523772 659488 442760 780707 477411 629560 490031 487639 497194 605146 499483 616241 671801 450813 494623 503517 655486 1070327 2-Hydroxy-3-methylbutyric acid 4463966 2806145 2611088 3655153 2851257 2650333 2073541 2419487 3195197 4218644 7845880 1125858 2690920 1697261 3934224 1315974 2698192 4819202 2783913 3048264 2425341 2486804 2829674 2198755 4006674 5033676 4312900 3101961 4173346 1499453 6411536 1424342 1049871 543387 1605445 1037177 1187486 2190415 560221 3566523 2108312 1551016 1026499 930328 1597171 1718591 1428915 1072706 2405060 1215958 1405224 1777503 1449284 1830309 1098207 1300802 1338697 2838962 1163149 1404876 1684007 868918 1540929 963228 1978291 1535869 933531 1380970 907485 1115353 1510060 1208849 2697101 2105285 2062786 1207977 919858 2383663 1946827 1791331 1061432 1036006 1354303 873426 1560294 1311244 1893935 1041711 1066417 1597333 2231844 3121211 1182801 2195206 1678997 2869344 1232018 1374124 1667604 975430 1299307 2999118 1007920 1848322 1242000 1053458 1117303 2246282 1657474 1056587 1746283 925511 560515 972689 1568127 1161138 2607355 1532051 1201797 1173940 869677 2830787 992880 983014 1647271 981754 1245539 1236861 2044251 2049574 813083 1985977 1785427 732983 Arabitol 187287 186944 179997 237207 274058 106236 209858 250333 282338 133377 209675 145356 123262 273417 387698 271548 177956 161817 196249 398136 198820 304113 160612 417521 211668 221176 295489 116489 351897 235015 238441 136680 124131 127661 53169 137011 78030 86154 129170 115436 107992 122455 150332 190479 144118 62752 66536 149597 204106 128329 83865 133760 138802 115208 119260 118583 116045 133649 132466 129369 115628 160702 78820 109591 116960 173637 152956 195678 157837 97180 160997 214417 55261 137712 179061 155599 159974 169361 211188 134011 60003 186463 168015 62695 135817 151483 147050 124644 109213 197193 124851 141326 138033 154287 66308 164003 145584 113860 136383 73306 136688 81476 270206 42074 76335 162266 159893 132645 197802 137838 119728 107886 111016 75682 162096 142927 99322 131528 208786 223867 288301 154867 82228 178547 163267 92661 150171 246568 157128 177977 138755 109378 186704 111728 vitamin E 14509 14231 62848 6067 1027 2515 7606 707 955 59992 173312 44829 190919 108408 118498 349426 107656 6642 16533 93412 147265 117820 105879 252841 57212 33726 2074 58391 5105 14905 133949 362529 408743 105751 496904 69508 342739 644395 307129 360039 237554 304210 301788 225344 360430 535894 393908 174454 322808 382092 530657 250248 252412 311758 260194 217996 323018 201780 280446 315606 293346 388913 686384 204861 464412 116105 409915 331082 669895 633453 271960 540950 658180 487153 411292 355928 372018 399773 262881 277021 416750 259017 252425 599729 407234 538148 595753 511190 306841 830670 423701 402191 323159 288610 1092516 158742 242317 260597 440942 610400 538803 513898 867033 487073 594473 309833 405443 279536 292234 504854 368683 809177 613417 320632 260206 484040 556198 428277 123538 558497 255686 620166 906913 394915 445103 515187 508807 430966 237946 243378 232277 265417 602125 1198071 Ethanolamine 3500852 3442523 3098592 2852280 4397842 1776458 3143180 5581842 7048325 2638826 3846396 2184027 5126473 2992966 3248728 1558940 3801618 4032848 4191988 2991144 409222 2017764 2865746 2701461 3588625 3659642 6654101 1245540 6218854 4528563 1780439 1827492 623456 377073 894140 994778 874555 1664992 1608139 1778453 2090194 1238707 1627134 1550066 1788267 278189 1485525 611257 2051185 1145902 980035 939554 1569431 1283746 1604034 1794960 1547467 2408708 1784190 1842191 2341487 3091806 1582568 667471 1193503 800308 900389 406939 909278 867826 1320668 1212774 722580 1581735 1878929 2256550 1560755 1702612 2693985 836387 1723753 1329430 1087150 1361981 1052635 929434 1002669 1015235 2328574 472925 505074 1418665 1578703 753168 781034 1999281 1246668 621651 1302297 874478 242485 1254572 531559 661751 1638145 336789 539269 1343814 839434 1049085 641870 1077591 2884595 962717 1572158 2331595 1756442 1479347 1770233 3932398 1080202 1744761 1005492 1508171 965652 646476 1395754 2865651 1929481 1734987 1438911 804303 653567 1615486 (5-Amino-1H-tetraazol-1-yl)acetic acid 1373756 1103831 749033 1225537 1415186 3068248 532391 535618 873366 1085109 1760144 799014 1295383 1210522 1496155 772108 1526143 1797234 1519441 761087 1134552 744580 1304342 1028884 1639152 1088827 449980 964434 1000810 805644 1012502 892843 792929 773243 549308 1050326 565355 483316 232159 596233 950499 655136 317912 244108 323233 691793 506554 427408 618332 701993 387301 693226 583985 532883 468980 462909 318126 708484 304285 604186 661303 778864 1051946 731405 648655 485373 529943 164875 574037 370639 326533 471749 656813 634742 427449 559418 799162 571339 450370 497641 425696 990593 789241 787962 893775 516203 1166850 362501 389332 852959 530788 586095 671707 1186708 741604 568653 529919 438991 438498 1334591 1086053 732372 832704 527355 1616854 360972 423046 1123312 571211 337873 1020854 407501 1501 718801 348741 624472 831541 606429 408277 532968 556683 712842 1260992 339548 542725 358825 580858 373463 530598 598335 604380 1084421 321532 721289 Tetradecanoic acid 1685605 2960182 968908 1715459 2799697 3075102 1406799 2048524 2193368 539541 3028687 448201 1573258 2422594 1116598 1088294 2535334 1873797 849761 851875 2600797 2336938 1264937 3615806 3994476 3340720 9144654 2166821 2674851 2451373 2793338 180579 1835724 2069618 384834 1500925 149398 227667 617244 4069885 329010 474397 2036373 838265 122605 707284 464307 125724 1884423 374356 74200 250988 343212 470982 236834 955148 1301543 695690 309684 916191 163725 287613 516867 546373 783470 274383 641631 760160 3323105 406598 659945 1605646 1439717 919534 1722990 710709 21352863 976523 1734954 114359 2169636 273595 235794 1262372 67006 797728 4197822 308336 492083 1717048 492743 452898 547535 384688 358315 1924794 1900947 298290 703202 140198 485608 936927 482922 1111150 236333 1904194 1176438 2253423 550478 2504729 579174 321357 999076 408526 353307 234098 1023255 1201864 1876122 645877 1665646 995447 149128 582533 12982006 726273 1661209 663746 752755 865778 98396 466686 1039405 788536 Cholesterol 37314056 64368218 42574348 47371622 42334582 98221231 27004226 37562090 46710244 83978553 87820940 49806941 96151902 74641006 69989748 84576361 70644978 56606470 76015116 67185146 65196301 44019734 55723086 104801389 75385132 100874952 85353969 76541030 46612504 52897540 54267343 91473435 91488597 39299179 82039290 31074599 65984986 90493222 49164850 109772509 62334271 69598637 81631560 50588117 96959624 101347228 90501695 52026860 57144304 63038674 98964097 51618989 59648642 74945236 57583434 53246977 77201268 61773203 66459471 70378240 69029425 73016956 113879968 121673239 90572992 41910886 90429627 62619151 89331165 110822557 67747673 71249133 154649071 92743032 78418766 74896396 78982384 81533137 95047901 56604416 94220774 63798300 77380830 116993195 101887942 76601297 111865518 70994669 65058904 190397691 104550241 83063780 86410114 65605623 152845593 61844641 56738200 60620786 92926455 123661940 114025598 108435528 116110973 119611497 112797663 70283341 89600380 75196506 95375783 93465820 80486228 128800118 80651249 50522580 64930991 76500676 93971028 58707768 92589897 108906410 72527344 78319400 146461054 69302912 79228700 110160648 81213085 84779945 52971534 65701489 73188250 75271845 116753149 86130081 11,14-Eicosadienoic acid 28162 115365 42703 89096 74091 93539 53349 57046 55564 49221 56255 31927 76225 72433 28650 25607 68309 54461 27197 34927 90016 118041 50864 123159 125693 79405 347449 65285 93075 157706 56703 1895 40926 8908 6188 9341 11801 15969 39417 111045 5446 4166 127350 23679 3008 2329 3922 11528 52147 13655 2841 4085 15815 35012 8164 40652 65201 25906 11204 21728 19770 9802 6150 13682 37634 7661 14722 12135 86661 41133 12541 94879 23985 63300 49233 21690 319158 40196 102926 8952 37335 4040 19928 54314 3054 9998 245646 12873 9078 94987 11514 8152 15062 4704 19495 78856 71480 17845 29577 10207 15427 106562 3899 59394 7063 21223 16863 9902 24831 10354 34176 6084 172268 4625 29780 14300 15357 57036 60269 45852 56312 55348 6681 65087 231748 16081 48363 32283 69268 14780 13265 7766 91342 66332 Glyceric acid 2846164 2569786 5132805 1916861 4345952 3573490 3486346 3728674 4663524 2728186 6361626 3344296 3988159 1590906 4022376 6590304 2215646 2854562 4406520 2594854 2949722 1914676 1179505 3282390 3292797 1295474 4767604 1806874 4401522 2978730 5864735 2684593 1875627 2222433 1821137 1521031 3059090 2553653 2791365 2215200 1805537 927270 1463070 4168814 2408527 3182693 1054467 1767989 3522221 2984196 1425970 3854630 2909102 2783529 2211947 3192559 1789933 3383135 3101856 1632721 2904307 2621308 2140870 1990481 1200195 1368794 934288 2816358 3420332 2845543 2118534 2428420 1856016 1376703 2612173 4352716 1852283 2129141 2205591 2496783 1067210 3175664 2052680 2665011 869579 2287012 3578835 2988854 5745754 1726584 3283076 2778943 4806347 3854398 1722006 1033114 2728945 1347468 2303809 1739018 2869167 1731487 1374088 1634603 2823410 967974 1354197 2289992 1148662 1289151 1177190 4670237 0 2711242 1956719 3370258 2829457 2545422 1848698 4662493 2662370 3012558 3411935 3765672 3053475 1386126 2259588 2934467 1941806 2554020 1318895 829093 1540954 3433240 Elaidic acid 691738 1026352 688431 1515333 1066543 457444 513760 546540 1227803 675503 2718559 580759 539624 806086 152466 142426 168588 992272 592888 602457 444813 1156892 1093366 250448 581619 672197 1204461 967708 930470 1216804 1715319 127647 433900 681250 88594 364360 109637 51901 256975 1564872 242480 318004 220255 256296 131400 103455 138834 329896 871061 320225 28121 105009 82949 335200 70143 953663 934657 500748 278841 1091783 223159 207833 217821 231271 516183 645512 281023 111375 13506 316657 564705 2370612 738142 944949 603040 179994 1026 205074 1539615 85860 237172 171844 231622 533136 48666 166689 2202533 306052 104758 1936832 97390 116302 385381 50764 215972 1554432 794758 69432 231736 130513 214723 721385 471161 395219 133460 27369 421752 678488 524215 6243 192851 199364 861779 6313 84349 206551 43934 416141 1576165 1026960 969634 1444550 121815 235205 3227147 246509 541174 472538 1131929 653225 324 275467 1115390 1461921 Proline 47986610 72299111 80295677 61823115 39861853 36747679 39216938 43250633 52766077 84222681 52239978 31283093 49078704 30239754 41685106 47384130 43455026 29882309 32462066 68915541 33085907 74670725 52733062 37846709 70743510 61908366 49785187 68747403 37660795 47983185 54838223 65750796 15601844 29508527 30334668 21581321 34085324 49997527 22123599 33567013 38075024 27326663 20614671 35944232 40984359 38342037 30429889 62859226 46313594 25756743 67835346 23290323 73006318 57598204 34175703 41898753 28169343 50670166 42116927 21341634 39931516 33334546 35847658 29555325 24952265 32512551 7884398 35442752 60427445 36228562 13052811 32447589 34295280 63580502 41996533 29279341 40396649 39086587 82058991 23883659 17579345 37885488 34628473 36116376 39319441 15740759 76910383 49971599 26420708 27686512 21335874 42904834 35676797 29223288 58018607 30021680 37376048 26218023 23494718 51740386 22046954 39989187 11452214 34962859 29282154 24197894 9031860 20984837 30356623 52836615 60540678 23159412 12378 14177922 44024877 25579003 57314132 21140366 30517008 41567838 26159117 23871542 54583840 48912143 72626115 56807843 20793117 33366277 33650181 27218338 55868877 23691414 42600831 47575351 Methionine 2109920 620991 1117064 1036403 631976 2642045 523180 604852 592854 1799608 2327932 1350655 1026402 1729062 1383704 2402905 2553546 2722260 1931729 2690090 2570116 2549073 3225291 1280473 2067354 989675 676249 1155022 266305 1190037 1440547 8090800 1848224 1590163 2091219 2402938 2824660 2497266 1715680 2266728 3777006 2280847 2117813 2353957 1805150 1906423 2537500 3512746 2568996 2081644 3339192 1668074 3521016 2480182 3052095 2981884 1782096 3741873 1872996 1729255 2166195 2468449 3490000 1153858 1565632 1577042 1199129 1688648 5257195 2676999 1142581 1627968 1538673 2745747 2580295 2709134 2808824 2187308 4152231 2352871 2151858 2991674 3512788 3216128 2468619 1770121 3169768 3539249 1889430 2660253 1341271 3190102 2528724 2179017 2305815 2825059 3097417 1878553 1926422 2406135 2030814 2765331 1139385 2229969 3550539 1147746 1434583 2812592 2752665 1293630 4976606 1817311 8966 1017420 1893442 2017879 3399528 1704066 1172648 4194037 2185394 1919109 3804365 2222098 3644213 1474998 1239209 2345201 2791050 2677382 2352906 1937970 2003406 3889488 Glucose 13121803 13565955 11116675 15386402 13753349 14287220 10139144 11036698 12826753 15844359 11711904 12315582 6682702 12184199 9012664 12235156 3658627 10289784 15719770 11270248 23068900 19345533 11911878 15836097 16536712 18516185 13617929 15232139 15098407 13250381 11575090 3435046 11899632 7348246 6846711 8680445 8855272 6130824 9750191 12079234 6169416 12931877 16677346 6678563 7731617 11628755 7164780 5328122 9780947 9892863 2275046 3130074 2687768 5696314 8046033 7557656 11290190 8179042 10157157 11981680 3940507 8808581 5602165 4064561 8978440 22671290 10050824 9263485 7387078 7539224 14757933 20965369 12385894 11785152 10831507 7081369 8001662 9412155 14452258 8792872 6100650 5051256 3680157 7685949 3507506 7817690 9933924 11177541 6648987 15971633 6596238 7348138 7291336 5372909 10871678 9168933 10371146 5647396 8021015 6794455 7651989 16037468 15191052 10302854 5919851 5838088 12190093 19682467 10553468 9897140 8284155 6868560 3813375 4411193 9192549 6550543 6500498 7440571 19632140 13173283 32849864 24116999 3828561 8421891 4655812 13356621 9030586 11139053 11865604 8086650 2158508 6102436 12089282 7585207 2-deoxy-3,4,5-tris-O-(trimethylsilyl)pentonate 1256527 2133587 1041868 508901 627955 1543013 518373 583300 1232372 1427605 1115821 964217 895795 334821 970597 2698387 611246 1528689 1027816 444860 564591 159106 749777 642589 855256 2964254 1420687 601719 975715 579940 849658 156022 392129 534579 77731 100690 165216 299719 156682 135958 427021 181156 52681 159338 521034 265771 146986 70864 230425 273678 496026 323038 263004 126286 452796 233647 318283 246503 161428 315047 227333 227874 628173 3914392 201959 369345 200198 934312 183546 381230 55801 36776 307304 383196 295078 939481 140262 844601 112083 219780 213077 502718 283797 23766 333086 55440 777958 632035 386269 576914 245222 247856 417154 793199 397603 192209 57725 191729 23289 818508 832507 186609 435236 386879 966149 285473 295034 917410 185057 318345 224375 226732 899 121605 133098 370787 161943 444282 295466 457025 250737 231834 986107 524480 610335 357662 183464 108447 45223 86992 217326 209685 337346 458346 Inositol 343104 424706 218814 124817 353652 522083 263965 326135 389839 203979 200708 166250 149652 131370 300186 298622 148284 322604 410959 194523 456791 76609 184336 273911 366268 244868 278997 135015 245749 304695 214934 929291 550718 213675 529902 493074 414873 342979 200234 1183398 370921 103243 109421 647921 513088 349405 287649 781467 331386 593312 792952 585078 921255 252898 314842 148058 247086 922249 273373 266858 338471 189711 685609 340075 358883 238867 162020 1270630 594648 275781 261651 206886 338798 259634 188181 816580 281089 343989 1136858 706580 780500 838138 319628 331390 1291368 631539 597325 998676 283615 524657 969574 624892 979215 643834 394059 1385753 258953 384296 388155 678370 223360 642498 134911 302611 513590 303182 269780 538179 167228 1118887 515627 300201 207419 369488 150387 636059 376547 422891 260027 743538 176818 119580 1137097 1514692 166813 470783 1476168 380945 291865 242549 270677 318279 312137 493988 Anthranilic acid 17150 12283 11156 18061 13098 8601 13178 31233 13221 27996 9246 10463 10157 4243 19574 14237 20823 14095 5809 11275 22003 5540 8415 8868 17041 22968 7831 6649 15271 8533 4846 14271 3376 9500 2218 17377 2498 2141 3980 3307 8313 3101 6081 11996 4576 29 827 2597 8468 3017 3659 5845 6582 7591 1587 7716 4151 23541 6285 12839 6965 5963 6544 2027 598 2303 2236 4661 8570 369 5986 17584 5816 4576 2055 2820 5901 3233 6443 4478 6155 32132 3334 4630 8974 18326 5153 6633 844 8216 803 6514 4270 6901 5783 6566 4913 22212 4532 1643 2741 1745 2507 4127 4088 377 1802 1675 3761 5971 649 6099 950 37 1233 3602 2397 7802 6571 5139 3550 6692 11420 3381 17149 4483 1302 3258 8394 6110 2353 3599 3601 6325 Erythrotetrofuranose 61051031 34552377 42421551 70743871 56054795 48201986 38381315 31620544 36279336 48705962 56899805 43278132 43381144 32621988 47994401 5249410 21447924 58434701 55476222 51438643 30220661 826165 41706942 51733100 41279244 20335225 35778596 32117010 40472893 24476464 53239193 44977367 2432959 83492304 22488248 31318942 33401560 22260826 26914767 35311600 26557709 7905058 23853135 24533560 45059201 8571664 36626854 15508097 57669405 33437423 40891992 15084430 7957517 33672226 28511720 21772612 37244862 12211298 31590065 43675883 24690959 49804156 48900257 10226518 30935339 3363078 27039287 22258053 5700070 39335670 1025651 169119 2856105 49144605 23544385 20034383 23509351 26666530 25205041 15602817 5388111 25305669 43423666 26009006 22306821 21869604 25771241 15252791 23927822 38976665 25162436 20977311 27300656 17542606 31570394 42557093 19432043 30258021 21529291 19502529 35050271 24907838 12520371 44225328 37331746 26706631 19444524 1415444 5034828 31217741 31823805 39459238 27394097 13831620 24761864 25331815 25066421 32456863 8427762 26401417 9993 7281217 14111433 31342942 22129420 7081235 41922022 23032341 31932879 8557453 7504046 19938097 28810800 26112843 D-Gluconic acid 524306 376289 506816 292710 627238 540082 482970 377207 356419 535261 305994 432443 386599 562000 379819 463848 333867 319553 619004 897918 1088073 449691 397752 702384 533047 2004607 468870 314191 680630 830852 425235 331390 121881 167580 158833 150514 149626 273639 304915 224451 231377 237293 174908 221687 545203 212619 239191 218420 647113 187098 601575 156575 396658 185522 323170 167644 1457026 208209 320869 210695 204217 283074 276942 347395 223362 373787 164242 277780 205807 856606 233444 336684 258513 378060 389250 341743 210849 643755 214098 145076 164325 447965 164574 267381 403452 163137 463968 200059 270005 256825 327297 163799 581495 317356 304031 534517 211059 219915 209452 491920 384345 277477 680543 195776 260323 385256 197719 390015 133328 534889 342935 267624 50793 215115 289242 235884 306880 420356 205416 261108 280472 594360 384815 342993 414183 466241 258399 445703 181123 302861 788597 261784 424102 206418 2-pyrrolidone-5-carboxylic acid 1198593 1732611 674524 702902 667824 2061094 599399 470999 2406673 1022372 1251930 764815 779790 542277 721227 609211 717793 1085605 1793867 953727 400537 390286 794004 292228 962500 1905038 1043645 743831 928245 796339 482802 494846 675672 626293 615650 438843 515598 286193 399743 705196 1370077 1000702 316461 420409 326142 612180 330228 1026551 362323 1084605 399839 538439 430427 660809 483130 584388 625472 706657 500445 1050578 666629 358930 977120 852972 1783470 694546 423546 503073 534210 664727 392175 402146 686872 546592 443834 423565 396465 913477 361361 588784 419638 502028 533187 847675 466798 502595 661570 1056073 604972 1339264 935677 626997 916001 1006068 936413 588199 431437 992333 824248 1229992 934164 1142998 1030449 551569 1007563 185580 491617 660368 483524 538614 578109 675402 12 363420 268810 883334 397094 785642 553492 322360 499169 1559907 1238039 477276 655736 430522 352616 181202 171344 636072 552411 1868234 720550 461018 Hydroxyglutaric acid 29753 43908 19176 24689 47504 17873 29667 67072 79675 34101 30068 28364 1127934 69610 22556 3429803 349655 17987 21374 39408 846632 69077 31238 25251 36176 28578 55990 15313 87183 33623 28940 463923 792902 605748 555745 1011804 254320 929023 210937 1023018 432007 383401 740445 330062 445782 869283 511197 603249 372526 503352 728745 772684 768535 760327 300714 224920 454154 559079 657405 393873 267776 326540 791511 819079 571218 625366 633031 585024 723168 676946 762299 1632850 840643 595609 439842 502165 686733 919371 837051 567792 382524 572603 468876 387787 953060 411815 1241247 387968 502368 758660 594848 365920 355176 432312 855023 702861 316920 554988 365172 532085 984219 736895 664187 1194176 554956 531342 631388 1013556 722857 864777 912378 516892 354 395513 464625 457540 776680 1165476 935436 2632371 523764 837442 601892 503444 765687 427252 485596 708923 557864 458654 696435 540091 686844 160535 Nicotinic acid 1195969 637526 364072 992351 1309696 1519885 2372900 2178973 3663292 1325798 1446050 462660 3121625 4580146 6398145 148480 2907793 4012538 6255814 19517 115240 166917 512300 1019394 472562 1139671 2365942 93098 393424 978390 275079 690448 445220 2618515 497882 18455498 320582 282772 186803 727835 2630937 1035340 767968 8645541 462626 309407 2057493 220241 174698 559098 1048184 909208 642941 827143 787007 581025 819147 3967128 2132929 1637924 744599 1627696 1328479 816968 1395401 15677577 2247680 165729 249517 244631 843706 272550 700736 321486 468420 394345 775434 1097222 1532072 598696 719044 1532015 1941591 674197 3754328 1792174 677094 378743 300121 413960 635554 664819 494996 531767 729712 1815634 1636169 1722810 1478950 1214397 185904 25074 1240152 116300 2471665 3487941 3612520 4807646 2810950 5355129 210024 175974 311895 358653 172332 320162 18052 1628037 936870 258085 517472 1176624 1272395 1743273 728439 513270 1276065 818186 566206 964030 4339407 4214572 282865 905426 3-hydroxyoxyisovaleric acid 313465 148316 463155 477978 781131 524714 417960 593354 564981 207714 236392 563277 161810 335111 373570 253664 659700 354607 192734 98392 447906 275074 198726 125252 253844 389782 189717 152282 266759 649924 197278 192357 241584 109896 157375 137926 335921 205394 80702 295163 502775 247041 355233 243652 157794 333442 198541 212420 254331 114321 130026 148395 283541 272153 155122 209424 154703 289848 253274 289349 190015 95145 180258 148504 313013 335532 175275 58551 222450 166687 195467 184601 250714 246059 328610 145105 138456 205412 307590 169622 126758 208493 219357 112996 106618 97911 472425 169930 265943 253247 158438 283142 98786 312640 242213 254515 151423 259670 102961 417374 121145 89938 129740 100820 141615 37736 503020 205351 274638 51311 307140 335932 301402 84049 200031 167235 237026 247197 466067 329492 358780 318795 220850 99689 215370 175993 95914 180695 379026 169005 199262 217306 262875 239874 Mannonic acid, lactone 532471 268678 423102 507460 291108 272163 254110 190057 273715 444975 463596 394140 35507 401635 517927 327733 29906 719440 616612 391321 328946 1304580 327342 300484 415564 701560 330314 300754 62027 508887 304887 432605 508648 195439 397843 441862 321933 710701 295767 508181 450272 720031 447924 241866 400850 965746 402759 487543 388676 455291 440970 136668 402283 522331 399451 639899 361485 535235 431565 504170 326970 326663 560313 520158 356813 1553820 382984 333328 831391 447842 403277 1147311 543681 487534 463438 510108 489392 455019 935644 397600 461014 382101 439118 355033 432364 504788 739907 775696 467477 398422 335956 505067 424602 460232 1003147 512126 476016 481454 497240 399531 235997 428771 532518 282923 386275 295320 398638 775425 1067721 626444 179271 293731 20616 193335 590561 484101 357144 639014 971127 585974 1169048 738311 304521 592610 692677 312975 472893 530151 630684 669701 461104 470071 460923 578188 Palmitelaidic acid 2469393 5556832 1198894 4556127 6071924 5790048 2839001 3363394 3540331 1311863 5276484 1031303 3865548 2930991 1910520 1175375 1808253 2589043 2328051 1391511 3287469 3001010 1427934 6019576 8941033 5049792 23669609 5721807 2418886 6277901 4559600 301644 1221475 3993021 1081695 2651393 576883 331608 1365571 6045881 316890 219457 3911060 829002 342860 24184 854661 238434 2078571 529828 144155 77536 178161 631559 209611 1961436 2179942 872803 360960 1938061 516063 694202 469296 65346 1758709 421120 801751 2196261 6556192 1033269 1021314 3098992 1773510 2096210 2693457 1981752 13102399 926636 3650123 228969 2042739 653699 378095 1984059 110303 895559 5732027 460286 235899 3589296 591757 222934 698982 279534 547809 4972796 1370950 276359 690483 206374 254951 2967026 250175 1353894 329566 3171712 2217625 2001982 562570 3932271 940815 722355 524210 270959 379584 453905 695408 1242968 3855190 2001903 1569351 2937281 383258 2049565 7798403 1098377 3313145 1357521 1805734 1262257 176863 801796 2189518 1761513 N-Acetyl-L-aspartic acid 1252045 699634 676942 879230 878270 4474277 551433 709655 987305 1196264 2873344 751769 1268256 2575441 5217193 2379975 4624561 2852450 1715579 668537 9019882 818926 3020903 4603031 800057 1934283 664755 616397 5803171 626786 2681925 692799 3436064 1900221 2261443 4247818 2234168 509781 165578 621105 1653892 2074808 316715 413298 237632 8578298 544268 321365 467627 730953 354425 4002420 450098 680959 362002 396765 266021 654702 450972 630656 705641 893375 787707 1954932 448083 910884 5405066 410972 582726 298593 3109381 501708 2191757 615955 320254 189106 481921 990143 373451 5121243 674635 1798661 2198688 339663 1480069 1903195 780460 257126 342492 2317167 3334432 4352675 412021 4283857 354678 2279986 522799 2822276 367724 1968463 3306072 526095 1446779 954866 3826308 710749 4215341 5899524 2713229 574875 703994 1774520 6799 2986816 313668 1012222 544369 3240536 490232 436672 2089649 939425 2147597 872028 1572366 429489 1322753 457176 515485 617209 667361 1894681 300892 1483414 Cadaverine 38854 83837 93764 56349 75623 10898 97109 76729 64502 89770 1410 104068 2329 44726 26503 36163 9244 19364 156493 893 3896 491255 49816 3564 102480 5906 43847 54223 6535 31490 38565 120752 36 14270 131 3666 107416 180184 119593 62282 35455 27566 123551 98740 94045 22393 45233 175418 158188 34909 98595 3567 103252 105901 140301 233944 131364 130049 111394 18457 52350 73700 24254 7883 82630 251468 3840 103188 414673 108897 11503 436002 160212 165090 138166 135753 125998 57191 93287 3026 3521 1336 7338 112515 1610 47105 107670 159536 108171 15485 1609 18835 98180 3330 305465 112234 118153 1114 105194 62244 1798 139303 7698 80746 3536 54573 3387 37960 26232 28263 77883 58939 17714 2879 191507 100243 129000 1233 255038 7139 68104 138551 91983 83567 52885 100802 143174 114628 207231 155060 40830 49636 113468 30687 2,3-Dihydroxybutanoic acid 2135563 327320 390929 396719 430915 157096 238957 282470 401446 254796 338219 146405 209131 152594 331428 170332 436184 2665297 317833 244813 635212 227375 190906 143636 371728 785171 190051 185145 208405 404469 334753 316512 507088 107152 79139 118738 143323 271359 204267 243746 268487 266659 174964 78305 119043 264055 148861 214748 360143 237377 78377 87923 208063 319795 153247 313443 235124 291236 115179 193507 393861 300938 224976 189795 145842 314766 183928 211880 287915 202821 165580 263216 159832 200249 299875 187480 341953 143303 171738 139248 189627 139013 235853 125052 172511 140088 458502 274997 122091 181073 96743 276182 340619 151268 259067 236496 243579 104562 290499 211774 277860 154125 261509 195970 232264 18577 122891 331255 323884 97127 271048 297394 9245 86463 509459 191089 126563 164468 450779 141329 270524 284978 129582 172821 179728 162261 192413 264557 212277 286436 118781 206368 221170 299911 N-Acetyl-L-Lysine 601 403 556 193 604 425 459 1487 888 1 45 53 1327 30 14 257 3077 1167 485 32 2797 694 357 212 12 1793 717 57 1331 1239 1587 324 172 141 50 653 679 81 121 11 596 9 628 68 283 110 1437 579 544 1126 73 143 786 32 3 5 3 719 164 1 878 1284 243 98 1 214 24 11 3865 10 229 91 105 175 593 983 703 549 153 449 97 361 49 1471 227 620 198 211 18 182 440 120 581 11 20 1 47 1212 1111 379 209 541 1978 1207 191 28 24 36 0 165 97 337 380 13 111 23 728 229 222 510 258 202 767 268 198 1161 872 1180 66 82 161 1651 190 3 Oleamide 11338 4022 2682 9220 33248 33060 6218 31388 9611 1375 24044 65 25199 16267 8652 5572 39249 17054 4300 25086 12027 39328 6325 1049 24886 34439 1159877 4671 0 2640 696 1876 45934 28728 3644 9288 2385 5737 10771 48656 23678 21861 1865886 14691 48535 262467 52054 299489 66313 11832 2645259 3566 11149 8133 28071 266428 26308 9653 5843 84360 1217 915 10371 2234736 18095 14274 2310 420723 111821 739584 4376 162424 26227 31750 6064 8183 848931 2474875 47530 5231 23597 3571 8103 17062 656941 701331 742788 141526 4667 46611 3619 11039 13421 777 24512 47071 36796 4383 4063 4588 10806 310799 260289 368766 6616 10062 6044 19184 10382 50369 955 8785 8434 2 4095 9569 9569 13396 39668 29581 1048020 877442 13 2286561 29847 5193 3051 8010 16191 42981 11247 8526 8380 1744476 5-Deoxypyridoxal 639045 673833 660604 613828 602749 882032 708398 839246 759660 722191 781938 651973 712932 689604 834973 952747 817234 769557 458068 878101 886235 473003 756963 826772 718894 678470 862727 824815 791273 842143 741222 745069 627071 913731 727513 820691 718735 630726 710642 601643 704820 643817 730930 751975 613721 656232 774534 709932 726620 675554 849898 798517 669483 614760 690970 647167 768463 707708 817006 670193 727397 772313 661947 845285 880081 468274 810795 770046 596260 627244 747269 537505 596322 690859 698681 766711 697493 802668 570676 740292 956960 743406 705260 836101 757547 787658 639378 605390 669038 841177 868963 722413 725855 756058 619047 691403 653260 751008 627965 812049 962986 749858 769262 765790 962144 1164242 833184 744239 745532 679511 755217 828500 251719 805284 670286 728662 665343 803881 535753 770520 606210 748684 845166 673870 655717 759175 696513 706409 645227 597303 761792 724302 763792 684805 L-2-aminobutyric acid 1219176 1502522 1881736 2871213 3712544 4346042 2329843 2729809 3067958 1419500 1336544 1149260 2213611 808641 1483728 2140525 1146161 1051084 1211718 200649 1451692 2550406 2047337 2776069 1759239 850788 4430057 1580331 2577669 1015091 1115141 3488076 2231684 2510583 2215431 2657851 3070193 2039150 971773 3103043 3153551 1859965 3413566 1583736 2154309 995623 1978874 3068254 3453507 2522634 2668561 1427962 3338534 3010021 3101341 2863970 2720379 4403129 2224957 3084037 2859312 1591109 2178309 914576 2237648 1264840 1039136 1802392 3057357 1673644 632859 4072017 2934081 4263769 1649512 1819828 1356351 2926009 6929629 1209625 2417897 2571607 1540447 4115886 2393836 2072419 2343466 4563876 1145794 5912030 2161793 3488531 1407012 921764 2790123 3907630 3321368 2372001 2028285 2787469 2055110 4305049 2088867 1243164 1713949 1285183 1019949 1671666 3309743 1448413 2477883 2693111 1275 1189121 1428385 2377747 3519696 1460563 1549262 7432017 3130474 2411114 2458859 566711 4486022 2079870 2617506 2759523 5428899 2081353 1773436 2471373 1735819 2163950 1-Monooleoylglycerol 14017 58021 10745 36537 22318 136246 3951 21912 13098 23477 258505 53690 189875 61961 20609 17531 590362 48296 17588 58490 35431 24559 53421 46321 44868 351063 88361 183976 2386 42372 115702 11733 14146 91320 9847 7574 87965 183727 7097 5642030 33236 9721 4055438 29220 49114 9428 19584 2082 13788 111317 2003 23393 45982 91660 19080 16784 44193 21634 47563 148528 218533 170850 16674 1125 10105 39583 3419 14262 1951963 64042 78830 72611 95034 326219 756588 152795 1391418 152714 36996 14493 36494 25508 7328 71612 8400 22514 6599330 26286 48567 80396 16135 50438 35535 14264 273990 37381 13885 21298 184772 77409 15798 2884 11503 46490 6701 2146 4308 14748 12161 3696135 13289 310784 9496326 128561 183035 229883 450311 840042 948293 328469 144185 429279 19810 12271 8290448 13032 461714 277348 61551 25030 15881 14097 845681 299211 Spirophosph-Glucopyranoside 328167 100766 57992 57603 20912 67469 15250 72627 116669 365660 80441 126628 30362 341393 132466 60641 23054 326381 235585 521018 9186 160971 302119 95793 329931 923706 62091 28097 133320 105459 52867 82668 26028 0 7021 297 24543 9989 28648 24678 107661 307589 10285 45561 157149 2910 149 75962 6177 65021 68616 1462 37398 18651 15721 23341 97 103064 51176 8554 107198 675 173288 3699927 23455 186262 402 27484 22065 27737 129 13439 11367 38266 24395 496 28629 44760 2539 415443 14677 64325 132506 396 86502 40884 56220 25556 288621 4655 6428 25354 72181 3 5868 1596 55553 656 36405 15625 13047 1760 70830 659 9215 28 508 33511 20142 75595 6216 158912 66192 99191 537531 139272 19526 8821 123022 9561 20293 14 82390 33636 67955 49692 54354 479232 38270 3797 37349 12845 76187 117184 Creatinine 2772378 1830496 2106192 1388228 2290681 1358939 1555173 1928038 2098774 2815973 813880 2641537 3985936 2205507 930265 3582851 1257131 1501227 1633172 528688 1050193 2557018 1864263 519661 2404608 2221124 1917729 1426202 1070439 1217226 973284 5269021 4413712 1499747 4299849 2442324 1863347 2627494 1821665 3346213 4984954 2893086 3626995 2011662 3141830 2211055 2659571 3073442 3759056 2580878 3516902 501571 2421193 1499332 2739495 3132940 3288657 1898709 2158277 1640271 2045190 816444 9069652 2381428 3519886 3291038 1582763 3190284 6717261 3060805 610848 2382574 2254167 2816118 2944834 2132689 3302805 4104347 2410165 1120453 675716 1500104 2691276 4107044 6544910 20917207 10250534 1708023 2439830 1792716 2680802 1730693 3412900 485833 4913622 2704902 2222865 1157787 1315424 4465840 2233497 5161256 1695904 4200151 2558898 2814008 878781 3107770 2897665 2960132 5576653 1654513 64979 1071072 3727496 1726462 2355795 1656456 3318509 956009 948263 2401482 2085705 2657716 1119227 2307725 3114203 1572587 3936270 1113179 3603000 3210840 3671567 2997978 cytosine 33342 39147 34554 29880 33999 39755 39567 42864 40735 43019 24752 39177 39490 35900 37868 30625 28138 19402 38579 22619 27536 15719 35626 38637 37041 28757 40943 38700 37565 34962 35268 41453 16170 44738 37591 49733 37909 29223 41416 28009 39645 22871 37180 46083 38915 19009 36630 30730 36270 33975 36604 52290 35373 31891 43942 26188 44165 38358 51475 33804 38541 41257 28394 36132 36492 17644 37780 42027 22463 31151 32688 16347 22574 33217 36600 32798 34971 42698 21037 41564 25590 52711 31846 35600 38429 43091 23646 25433 31182 21802 46462 32551 36208 31428 29993 39986 27665 41157 30527 37430 39147 37763 33443 36773 39164 40444 36495 33937 11712 46133 32627 36638 175 41116 26462 28708 35070 29344 18364 22871 13749 29326 45557 34453 24342 39019 34720 38683 30471 25625 40175 42841 32704 33602 Salicylic acid 1253 416423 4152 7967534 72985 93504022 1166 50819 48009 9277910 4664 9417 5788 818 23755 10243 88094418 2837 118052 9677 34885685 1569 46306 104079 35803 4562 113177 2453 16850 12095 8384 54251 4270 44208 16650 82423 51570 29139 70696 31475 30216 1292 80658 72333 6052 756 515 1053 139223 44259 42956 157105 1307 32524 48458 56188 56210 1011 95874 989 10694 107446 1229 9559 145398 3794 89023 14514 62668 141338 40811 1632 13956 121072 83854 24763 282791 12525 13193 104987 63272 45671 61598 96232 4815 32489 3361 653 411188 1654 3269 31231 7240 26006 2270 62813 207581 120452 451 2606 4102 45923 1675 27245 12159 43235 58595 5422 1269 84114 85684 77947 1852 136606 34656 6416 80568 18481 1242 965 3525 531 32303 980 10946 4825 7400 2167 64010 22756 101079 68610 13384 85334 Cyclohexyloxy 1902700 2028788 1784863 1689927 1716937 2315605 2101398 2494633 2194287 2292518 2267662 1951703 2113914 2010234 2744193 2634101 2372065 2278584 938922 3018600 2624984 1349068 2156812 2556891 2007947 2137822 2206826 2285157 2191267 2705786 2373886 2283337 1804991 3071122 2255975 2677799 2233981 1713381 2228460 1713234 1916119 1747161 2311014 2787105 1573829 1898119 2053212 1964211 2005010 1985104 2634294 2382061 1807529 1910607 2106714 1773544 2476988 2097594 2616569 1850726 1892643 2258659 1766730 2447493 2706285 1243383 2584386 2414176 1539736 1978895 2423747 1612050 1500632 2146527 1952543 2053551 2201453 2456296 1707707 2045817 2701093 2379485 2135627 2270579 2379587 2235913 1683685 1651274 2010152 2427676 2503952 2330614 1956739 2351077 1676270 2095432 1724190 2138193 1908527 2365948 3103831 2159853 2390897 2281166 2414572 5306806 2662106 2173891 2072246 2201121 2311519 2765484 0 2492111 1934725 2200045 2056460 2347508 1516819 2333059 1750993 2323270 2526789 2046845 1781692 2194250 2086690 1938921 1945812 1640578 2135891 2265339 1964133 2199640 3-hydroxypyridine 14668808 14633222 13081286 13913251 13575409 13983347 13231682 15069433 13368903 14633164 13831097 13376329 13740812 14052330 13721258 14630027 13723181 13888246 12457072 13307019 13679298 13017861 13441490 13177467 14522748 13593394 13401799 14971300 13934265 13915984 13966573 14159978 12177250 13866066 13446866 13909691 13736853 13325423 13809032 12788542 13624759 13141716 13466797 13496340 13996224 12953056 13465779 14067652 13983683 13434012 14524381 14362154 12977146 12573161 13508747 13276986 14354965 13817093 14100804 14316519 13462790 13735864 13913062 13209902 12686548 13997887 13378364 14091876 13603342 13792508 12406884 14299095 12927523 13642527 12781468 12963982 13594554 14520526 12974889 13998034 13787300 14338535 13927498 12949314 14664657 14197184 12639230 13691904 12936520 13983987 12991371 13590062 12862681 12710610 12988139 13572814 12559338 13665422 12689425 13618938 13368881 14318646 13595524 13614987 13400316 10004944 13587170 13000558 12953524 14040016 13780900 13525430 33 12947233 13288038 13340052 13113930 13332244 13093598 12264129 13461335 13896342 15512074 13569170 14328252 13980317 12873043 13698680 13428971 14259954 13035897 14406710 13638995 13745602 Methyltyrosine 4581 533 19767 794 1759 1438 1250 537 2385 1888 1373 158 1560 106 1148 1095 2494 1644 2303 800 971 2179 132 319 1302 1778 3650 970 3939 1408 308 2117 46 40 1073 1538 151 1202 380 502 1415 635 460 567 72 905 485 1498 309 582 329 989 254 883 499 1405 645 1936 574 1618 1283 3227 609 2533 4491 2395 249 68 3442 3673 751 736 2645 1211 960 1276 215 1659 1088 748 1382 169 1051 2521 626 546 108 680 2155 2370 208 454 405 1707 812 551 424 162 564 1035 488 148 138 365 1629 681 102 175 55 584 3864 495 473 203 510 1528 1237 1178 618 5365 607 2641 123 124 271 1077 338 249 2155 592 1307 802 1344 1691 4-aminobutyric acid 1986189 736659 2149617 1511610 2343952 1407120 1749326 2880025 2968564 4613525 798774 1118265 1682477 471053 8245477 659518 901319 1154556 888612 2945061 500883 1619583 1472234 543860 1140338 2742263 1163213 2369734 174586 825700 1199335 3894448 38638 1771126 1314747 795325 1347006 962443 2210270 2835864 2085289 1632403 1004960 1112236 806862 436642 872261 1384163 1797635 784504 4438501 294214 1207445 796952 1156534 2734911 2244000 1922361 1631871 1196311 761978 1474803 1705603 689970 1730563 1046972 399284 805182 4277043 1787115 244342 882381 882531 1786297 1697633 1510550 1929708 1388633 986836 958311 560259 1091477 1357842 906318 4990964 420931 1676075 1624448 720841 558951 795279 624867 2864643 334389 1533967 2384258 723669 877258 985743 1026873 1812082 884285 517407 664063 642896 1097975 631516 1124141 1171246 539581 1565529 1269980 82949 269817 1798812 761985 765772 1294042 1535771 1595571 547079 889923 801343 845180 547950 2376020 980141 1228414 1974315 849144 1132641 1063203 3054808 6064238 1H-Indole-3-acetic acid 118530 46328 56524 110499 77647 245075 42485 243288 264583 286061 84750 61956 70595 45332 64757 53526 92451 139117 68209 41806 115929 53709 38013 53876 86087 54716 56963 59816 63048 411950 69435 45829 37199 44279 52322 35180 64995 69931 36671 31683 40952 350299 23856 92787 60171 72301 106998 55364 114733 123803 33533 74578 43659 166151 37441 23874 29112 108858 46330 90223 39127 98230 64027 64038 125767 77626 38800 43743 38219 190249 29929 25677 61886 179540 34054 86486 174272 50385 44309 99626 77335 60175 146220 53801 45557 24790 90501 48754 87829 55549 62295 86480 28745 99450 78543 102066 69442 105290 19685 230260 102183 61280 94927 39632 90647 25990 52151 73265 83995 63614 137697 153620 565 34626 77979 153373 55646 112994 83025 192510 39685 86911 137139 46809 57843 16943 42124 132043 108558 69434 74600 52577 141072 163212 6-hydroxy-2-aminohexanoic acid 80186 1154 44956 110889 197195 314172 33842 61761 267042 671 5304 29139 48125 8675 238954 70237 24734 76082 1359 19435 177431 55 56989 350066 91 1716 342368 69 96023 47341 17069 833 139391 215224 220314 581768 161717 53 310 2396 30414 42627 0 358 1067 253178 375 1635 1077 15463 330 506995 644 749 260 125 649 6053 477 6641 5033 5836 673 145830 2270 4118 423247 790 739 814 191514 624 108671 12879 496 357 551 48140 17855 243697 0 163298 20467 898 80652 252248 760 2725 1017 351488 705703 344378 390 90538 744 217229 1441 331615 1780 129519 430187 7834 105164 6988 95347 60925 336772 501100 5 11370 95905 301430 6 342231 277 25877 736 171076 257 7837 61462 8959 71120 293 148412 196 102104 1395 4913 2468 1322 186541 3955 35205 Octadecanoic acid 6063501 2072137 2830378 6088234 12195723 18226849 6588620 9589834 19291367 2874635 8306128 1836373 6230612 4840326 3533951 3168124 4819186 8384768 3784455 7371272 15484666 8610909 6904875 9865732 5558126 6176030 19655941 7865175 49363954 7935135 6703123 0 9247564 3257914 2020104 4707606 585557 0 6411691 12666089 636465 3647457 10115206 1130736 648585 1805009 5288789 57420 6232390 2669792 0 1009276 392058 1922305 862671 3807748 5832518 2444977 3159042 6162711 0 1514461 0 36677 4318349 1850717 4538698 3454142 14892163 2454265 3089037 10489968 5190983 5541328 5222619 3356708 45099466 2591949 8582015 77917 7677378 743972 61730 10949516 781870 4426744 7278468 1713675 1192071 10889410 2577697 0 2957663 367908 668395 12094072 9327823 407603 4078415 980559 3032315 5375649 870500 2687920 225085 6182815 4291685 4194810 2810209 6874028 1043259 1678708 19088973 2375335 342545 717434 1150321 8136517 7378647 3219901 7258952 8186259 0 2270951 15839285 3327120 7131603 3770025 5763128 2563970 0 4052527 2744682 7059607 Xylitol 2115702 1778705 1706341 1676221 1652279 518507 1440118 1389855 1489977 1046985 1149016 763758 1242502 1075680 1408921 1143581 25342177 1650078 1790636 1245593 13292360 2557477 1355850 1661601 1889832 4022022 1673269 578068 1358364 1785777 1878561 1583395 1937605 780666 1103527 588923 1134170 1443385 1388834 1675563 1468666 1032753 1275034 1132830 1455567 911535 725590 1578591 1533692 1588774 1127298 784140 1538645 1614489 1353275 1844950 1448506 1837549 1473872 1589256 1364086 1224028 2590168 1456379 649336 1707913 610089 1762155 1676228 1675780 1291289 2011188 554231 1625796 1499201 1659755 1580321 1759665 1908709 1225843 963836 1336331 1449003 589076 1573235 766356 1163873 1939248 1531422 369898 965966 1761655 1736478 1832362 872628 2116045 1743706 1193216 1505429 1271115 205533 1001951 1077325 606023 1139564 471088 760070 1441834 1320449 1723795 718178 924110 788233 455044 1781907 1803753 1368912 2516228 2100934 1767556 2307321 2058782 730860 2155688 1484573 576600 1550022 1760584 1460523 1720468 984607 741875 1744502 1281953 Glucopyranose 100375854 94643177 97729586 118025334 100956144 260157042 62410618 50969194 98707268 165771279 245213140 142579929 1589954 224656243 248052642 226871814 35781425 180665088 143857051 79090581 227123724 306244966 159389335 224549124 82261291 228587996 57273553 89017773 178797892 99132754 203745928 101459014 702377246 173512995 250701337 439852099 136517606 112532690 80198884 104395431 177162471 479453796 77816550 64300468 83403943 863985898 115523839 125921671 98536466 145675153 88795143 43216116 70706910 118413041 97566803 131244441 93194659 153540746 132484895 110708130 68582067 101912499 153709869 296129303 164504699 564849576 312191060 66965438 152112903 67471835 590475026 219340892 325691770 104654015 59670344 59291013 118555783 170736226 142945496 417577036 137169022 237371458 146534325 84344019 124944286 209602140 253324278 193744738 64556903 291787315 369723986 438808195 101565629 540419110 194071261 168153052 135036305 220866928 95966899 280808552 352108715 157101209 439862767 119281182 247727189 96072197 279274772 516109916 420466152 140594021 116310450 161762541 87267268 133519089 91545002 173676034 49782597 381308205 151728703 109836206 725093410 431968042 162260277 137916096 372907282 79786819 132498336 88406709 111674592 193082751 114132442 301329069 82789582 133204643 3-Hydroxybutyric acid 13949517 201988 1629203 7599015 40460902 73302526 19416862 28184248 24097593 5358735 6591713 1900210 7288945 2963686 2124825 1181808 4872632 15978799 2890746 2394877 19503652 7867302 7710574 11352998 6090526 4177725 257287134 6762896 8105776 1287612 5342984 5078936 9819395 51480200 6071997 51255506 2622081 4814238 9988011 10968958 4686981 5204403 23268044 3311617 5770241 7836913 9209814 2241825 7063898 1800369 4279435 1126434 6407008 4507130 3237869 5117768 38122854 11763423 6085077 18334555 2537293 4845528 2922325 4419394 7597185 4786377 2666346 40006012 13462923 3029974 6165846 40280063 15227213 12578340 8724428 3320412 6200895 5689169 21494644 13564446 20263498 3190370 6903580 13624480 3244015 7937444 2948431 5515919 4648721 26327532 2867290 9705023 3730920 3260881 7095524 53019086 47927494 7026533 2006020 8564859 3492205 10426546 2456488 7538435 6646045 19059034 19147333 11995806 8039853 2955668 6388221 6994325 2248035 1556431 4227270 1759149 8499203 9345661 8329105 5934123 16283636 10937408 6621088 7189077 6538070 2968543 19927193 4276517 17840738 5335798 3454700 3191159 12234724 8060101 Myo-Inositol, phosphate 70953 77541 64760 56457 40067 85247 26349 41438 51245 112899 213752 64259 104872 84686 116312 136866 315029 94422 84074 141955 93889 95014 112394 173239 151467 202074 115947 65802 26414 110140 154778 129618 128887 42507 90067 70952 58070 102548 60504 111143 96388 88817 68674 73438 134977 150399 72018 91817 83634 95836 123507 55257 88192 111583 96415 47745 141955 84963 63622 82789 123075 88536 107444 154797 110705 88034 69237 84063 87769 129427 57347 76021 160500 99449 152438 77315 97796 96827 70497 52241 70529 71155 134042 101828 108365 67955 138815 67427 59209 96078 99906 132017 153151 129324 130533 134428 66112 77808 89043 87140 59431 112134 98749 135091 135280 39803 123758 110900 95450 73242 121810 179166 1203 47105 115729 131075 132317 97136 135834 111832 92120 138377 104711 117826 84482 70706 74939 91990 41707 99522 82358 76762 155733 126756 4-(acetylamino)phenyl-Glucopyranosiduronic acid 527 296 821 583 113 18 806 3358 1701 278087 36 5718 70 146 134 72 327 1076 427 465 225 823 369 151578 37 1023621 661 416 8794 111 177 397948 380 23 116 86 509 599 145 556 123447 490 5747 462 345 2 141 460328 381 448 404 13 33707 89 1090995 890292 122 116 1353 354748 85 138 72363 714415 471 365 190 372 581 1990973 77305 499 641 396954 388 459 206 126 39960 54 663 271 33 286 75328 206552 529 20354 147 513 824 174395 118 164 725728 1502754 784950 13 190929 40 219 371 34584 239 123 226 413304 312 95599 119698 155372 133 107 192 138 139776 688 1327700 330 34813 637 448 4782811 510210 39 486 118 41179 148 266 771 68 1073264 742 Oleic acid 14507302 21182361 9890577 26457028 52844487 63315750 22249534 28810915 29231294 11771532 32594026 8742397 31132404 16423062 7324097 5559790 19133521 14102924 9488533 8565800 34277592 25281251 12590835 35474522 37783306 30577514 103820510 27593939 22177762 19164345 29189714 2584280 20335585 32914450 14425898 27066261 4874539 3007850 20709052 67095747 3522468 5488233 46217160 9636931 4415102 3799783 17789666 2798559 21113033 6358037 1503518 5771802 2776088 6946399 2453869 12957927 22582126 9066101 7164505 20744264 3635223 6894171 3062970 2450146 16095399 4449720 10606659 23339952 87572164 9511965 9853722 34856271 16007970 21974393 17484543 14611931 127563409 15488731 25341921 3450269 26745633 5514620 3164959 32727864 1736517 18969880 37332665 5015234 5203820 48169157 8337403 2475339 6869675 4472779 9733049 42251310 27476670 4372402 8451672 5065497 6532645 21109163 4294603 15019487 4644411 23629852 20048272 18823319 3808477 60877206 6786222 7599513 47488458 3838751 3392550 4069398 7559070 17356521 23820127 11129001 18475711 25194292 4312411 12636558 54423939 11304932 27081381 11486008 18433975 8916946 2317029 9205839 18924215 20283770 glycol 2077897 2271846 2263695 2687074 2139004 2480951 2488733 2696110 2575471 2355217 2193835 2526352 2578245 2508258 2801940 2847936 2225486 2264140 1266603 2412455 2537662 1880195 2360433 2648245 2299257 2095172 2738925 2675267 2781237 2599182 2408954 2477779 2081655 3198016 2506791 2795213 2505137 2127279 2391996 2290416 2371096 2103937 2688175 2468878 2286075 2190074 2539880 2401522 2456790 2202903 2454314 2698851 2382470 2177703 2434098 2237667 2687850 2451827 2808335 2221385 2348356 2467127 2220323 2555265 2884707 1806283 2543523 2697941 2004744 2312351 2644282 2081728 2048894 2410120 2373297 2428897 2378330 2641311 2156611 2361386 2697921 2834396 2402470 2609690 2917793 2467261 2126391 2190333 2419664 2288632 2679184 2526627 2436135 2420080 2197702 2623970 2191792 2389216 2272648 2750707 2971644 2300374 2332813 2507196 2577566 5962066 2463123 2590891 2077516 2778085 2648477 2522969 0 2631286 2274920 2327225 2544101 2571867 2032757 2208498 2073353 2350282 2601672 2559037 1978985 2565866 2559685 2464405 2317457 2182034 2738998 2531619 2477459 2283863 3-hydroxyisobutyric acid 7268614 2763761 1901443 3649740 4747124 7634927 2830991 3890741 4642180 3001578 4070831 2011684 3128547 1957561 2512101 3546319 4622888 8390026 4523936 1981932 8364959 6165393 4509802 3158929 3345024 3369392 2613296 3672840 2756063 3012135 3436230 6135271 9236524 4383287 2552370 4964551 4687053 4805969 1336858 4655016 6370578 3492158 3352333 2473903 2281955 5987832 3122334 3443561 5269921 2825144 2271866 4394811 7422647 3836021 4009308 2345502 4208184 5258249 3053297 2836074 2651556 2265501 3878919 4397848 4588237 3449328 3573551 3531519 15257305 2733920 3964245 5616823 4592178 3268102 4189444 2653268 4853725 3360268 10024900 3742560 3155438 5543073 6161818 3180246 2699893 2251723 6436939 8092546 2775716 6921591 2484584 10524210 3558273 2986060 4814988 6430886 6923942 4782222 2466746 6234857 3675816 3854098 2930944 2563931 6012449 2265323 2683743 4571817 9124134 1283565 5862350 6018458 812103 2847769 5583324 2031642 7371691 3337938 5666133 8168869 5259694 5401646 5783229 1671966 6392662 2441163 2810784 2828852 6239169 4347615 6710117 2755906 3816064 4733331 Fructose 4509197 7746851 53124539 24933095 3021807 3659390 14002218 2318260 5594453 6146438 11056779 9896730 1741201 8326702 2068457 16602804 285405 3234879 27003147 4131636 2257494 16697915 4355823 789524 3424098 1738013 1858156 9456323 4822020 1069492 10132808 10724911 4957329 2037290 2966942 1095729 3228130 10036721 2582986 3131760 25457476 12130595 1384306 2374762 4342606 9117182 1395159 10587634 3281028 3484750 18058387 2500373 31013865 5290821 3234508 2654862 3916482 13342056 9244150 1391010 3286624 2298252 4215659 20876895 970058 4561029 1169596 1328526 2105816 2794057 2912966 3000674 1696019 1014481 1652689 3306937 1546351 4865857 1751565 7366361 1078798 10363792 9799381 3646189 3132456 1323642 9997157 17471233 16704148 1127728 5787450 2018477 5337908 6390998 3194594 2483621 4007196 1630976 4616533 6131908 11580128 1566300 3849180 1804714 1899255 1606989 896512 5898238 7055490 3101626 1057398 26519616 1633010 3547293 14814099 8503126 1610558 30628627 2199900 1756292 1384101 1433508 6229985 1436946 31379124 2891435 1664740 8728181 3205715 3534578 52779608 1074739 2234498 1031734 Cyclohexanone 68 96 139 191 1086 92 104 678 4 122 18 210 128 413 42 22 8 59 155 1 80 95 139 101 23 167 30 337 50 27 326 361 187 135 125 860 358 280 123 199 121 12 564 943 744 1785 1393 240 567 325 50 29 57 509 55 859 704 22 138 137 33 30 288 226 317 1394 481 1427 81 294 144 781 620 405 1335 505 178 113 82 36 7 112 671 242 367 127 189 117 105 47 763 205 268 178 304 117 444 3 21 163 8 149 369 265 1 1081 33 207 183 361 373 159 637621 67 601 169 551 8 1195 91 357 57 160 278 249 364 435 99 171 686 1008 520 561 463 Decanoic acid 99364 70511 40203 118465 29468 328524 103739 164789 67968 67526 56544 37258 14172 241524 141495 41330 42129 27502 13311 25676 130707 124522 97405 82887 48119 87627 276685 66895 87149 38188 150610 103607 75029 90722 26692 71293 94029 79429 57054 66676 95087 84831 61187 207108 50208 120281 34371 65417 178530 81509 66233 171677 139593 142014 129402 133130 72303 326929 118767 74966 21600 55961 119335 249565 49893 22870 42321 49890 33767 50995 156633 50239 73898 83960 77773 23200 834394 43825 54852 92722 93060 32503 311989 56111 64396 28657 179868 70603 221018 32376 108435 178629 174940 134581 48644 168727 152104 36325 22417 74464 103120 117435 303696 33708 52871 107764 55897 205283 190717 55284 121856 36519 65 62639 102874 63650 410714 95910 43187 42558 38221 38779 64604 43285 510168 88538 62070 119437 363871 92592 13297 35065 110226 38850 2-oxo-3-methylbutanoate 3251491 3423134 3350545 3463272 3637971 3691743 3452969 3743133 3018152 4737973 3300058 4294038 4826995 4715749 4131875 4054861 3235494 2612142 4253739 1966965 2212710 3479055 3828263 3231509 3592569 2638427 3811207 4497102 2966195 2795941 3388251 2436356 1971000 3445130 4363441 4368816 3828601 3826927 3384270 3351992 3445066 3817875 3507796 2597675 3636951 3552125 4526181 3465209 3563306 3130992 4453020 3118494 3163401 3084605 3251479 3147030 3667156 3592710 3677778 3351146 3563348 3192841 4297563 4121905 4165152 3282184 4413626 3960118 4055442 3901585 3135609 3165431 3969388 3570630 3791753 4107375 3551167 3616547 3179772 3707779 2413391 3232146 3407537 4392858 5023354 3800386 4212975 3109263 3477756 3118961 3655896 3312841 3279947 2551906 4098399 3326711 3100025 3315466 3209315 4444862 3628860 3927449 3068197 4703033 4035073 3258646 3217352 3927598 2882035 4761307 4877814 3566636 304 3442897 3748339 3273489 3914383 2744706 2889393 2794567 2533786 2899969 4190271 3678404 3312465 4397634 3494251 3828666 3326613 2941336 4617172 4387644 3609114 3358040 1,4-Butanediamine 17988 18166 2388 15857 15569 137 7270 13370 1170 1515 40 9850 198385 66 4418 19373 71019 147 567 7161 51 988 315 1336 12845 8377 17996 4043 4523 17799 6261 19287 13362 1650 613 1409 149 13916 19096 9001 24632 486 2751 6887 2343 13501 2249 15771 22977 14294 1313 0 24543 20802 549 20053 14496 13304 9056 12450 15889 11065 24435 1179 17982 3141 491 1891 739 2040 1931 6631 637 17418 3002 33791 3226 6 426 11075 31570 6155 13324 6212 1054 2934 2804 9679 14229 18037 645 2226 18980 1035 10847 4549 601 6052 24812 3793 918 28029 28293 14587 3243 0 1142 3463 12558 1704 22895 625 15308 43 6063 20335 5951 1619 23688 22410 11624 13704 6607 9536 5547 4292 7000 17914 3359 21005 19546 1220 11990 23308 N,N-Dimethylglycine 618650 710699 637160 1040177 528038 893928 540836 917647 966086 876394 1032185 447877 596626 459151 662145 659845 881324 600739 323613 790242 1080518 340120 777729 732911 971957 686106 810161 469614 750657 538146 1036399 1083364 528733 848259 795935 618752 896071 619913 907441 763074 873067 542869 585043 731288 688386 602069 523649 747508 1932022 664747 834850 736079 552527 515619 483182 510539 855608 559719 728734 548264 606906 717152 497560 861776 438142 390475 576567 682491 562335 484904 455706 387173 361071 653411 488635 811205 502415 636867 400876 754980 1099703 1120669 860123 511977 988707 642530 463830 747891 431924 846381 950139 651363 629560 1320898 414811 505354 538959 643896 547608 608255 821028 635605 620971 547090 874228 501807 748500 778379 656032 527911 729864 624935 5986 567057 438827 818294 732081 493104 454012 1394392 600014 1459153 823243 574381 1889374 511253 465019 586683 633938 671442 583053 538751 511621 725624 2-hydroxybutyric acid 7633561 6344520 4487701 5498792 8155939 9922012 5613890 6272251 6423748 3312273 5429561 2590538 5687726 2436893 4870164 4439624 3311873 7736719 2812030 1851519 8675982 11079707 6053387 6372177 3731976 2090410 14275682 4581194 4751026 3058640 4838083 3406386 10220404 6962188 3680641 6575487 4983973 5284382 2928813 10816301 6848813 3497353 4940680 2777815 4296679 11185274 4499353 4214845 9660144 5568695 4588802 4467463 6579058 6645821 3971709 3495309 6971678 6750005 4046435 5184210 5632273 2572442 6192381 3325365 6154633 3948390 4974177 3016241 8372619 3165412 6271116 8735864 9384892 6476730 5122069 3458077 3305766 6565904 15896088 4075851 5517730 4630274 3193904 8354497 4487109 4119272 7073432 9558487 3661009 14872950 4418674 8647694 4453169 4277094 7642518 10889183 5622925 6001647 5183189 4861013 5099446 7101576 4950052 3703173 4783286 3299218 3924749 4385681 9622362 2310382 4150274 4707549 1375264 3699507 4708848 3483856 9510444 4123017 6711039 13813090 8625904 9757545 4673971 1548005 8162671 3346253 6041072 4979566 9247786 6740157 2562332 6362524 5387306 4217312 thymine 148660 190408 175064 122428 116128 124532 113378 143954 233653 157982 224670 131669 173247 181456 103319 103382 197782 332231 139273 192356 21032 134873 54282 30345 120297 201613 162262 131620 72200 174178 83682 144927 226729 118786 106003 96752 131398 147394 128685 158729 199769 211571 127875 107851 93140 188443 126163 164040 147865 165374 134419 45397 163117 152116 115132 161369 137180 176551 124862 164755 153773 118387 216059 100075 115895 258166 49663 112365 202733 146248 111781 208933 156480 147945 128214 119592 128163 143042 241011 121239 225408 61629 162345 126220 123067 115076 196675 208993 159983 167754 62862 129187 134750 109786 185956 135301 169416 89716 163075 111460 45725 137913 200452 106728 94048 21291 109148 140203 238788 128152 103490 83051 7178 52285 168031 201387 125349 159533 223528 235437 253682 217754 121639 159700 188643 109204 123993 117183 141957 165971 104293 136978 154617 155705 laurate 604443 1433029 611778 582037 1098276 1277607 666839 668890 611744 789045 783069 517614 461896 1534954 894522 575817 1404060 645234 343555 421219 1219753 659733 2356783 1175076 711173 1368871 1937674 486201 519856 712077 737696 402081 998690 638417 445855 1093794 284916 291974 606865 726781 414384 1314909 732048 352598 237180 405842 643741 311776 1570392 510781 181300 435857 416967 677595 373122 738167 512978 559900 298520 711206 289183 350347 2116160 2138667 423078 555465 672292 671377 565115 570305 462380 577135 812840 738588 536926 339285 4116039 594432 827052 582013 1894701 360277 510987 828710 954400 832918 1355643 451655 1129396 657393 451617 579290 519613 512054 379783 843401 697821 561093 557923 293188 717099 964224 580886 642180 576679 722206 868691 4919554 1410520 878389 591403 465182 60007 369011 417326 370282 806536 560785 589289 509184 805283 447901 219086 695170 5541550 437404 703909 618712 541149 983957 283475 697092 522814 554235 Citric acid 8764469 6220439 6674755 5605835 4224429 10360554 4570260 6487569 9157514 9318457 9022671 6901757 7503674 5755118 8254653 6935270 9692898 9514655 6683674 6241704 13571954 4220165 9346840 6144166 5654267 7064356 8699410 91865861 9074713 7319033 7464430 6776621 10628058 14426252 7234689 9643243 9632923 10445694 8465698 5842157 8092973 6396215 6957398 6266033 4867354 20289840 7148720 7691143 10377589 8135871 8025940 8488450 9785469 5949552 3696664 6142689 5281233 8851274 6175333 7669904 7068232 7282264 6930437 19145562 8399034 12409243 7427089 7747584 5025673 6193237 7691533 10935335 7616025 10795186 7172066 6727238 8690140 8398466 4412966 14217676 8538664 9816225 8999693 9196322 9198018 4334562 8901618 7769361 7664993 7964757 10657894 7434280 9604512 9279854 9408347 9581136 6682634 8248036 7888376 12674646 15438813 7959149 10848964 8172728 5853581 4197792 9281397 12933634 11658428 6638345 8614201 13156449 0 8611080 8113029 14093323 11296425 14434475 7012347 5940853 16409566 7325828 13748242 6866981 10804013 8115895 8540797 9494722 9189652 9752340 9165235 7079462 12329692 10155035 Aminoadipic acid 117863 93899 110596 139239 118932 1336862 68065 98474 124321 268050 671045 76096 234595 800297 2189225 619533 1027387 277241 298445 65311 2338182 148039 1035741 1377198 87207 465490 78175 60955 724296 87748 688490 131242 1783328 787825 1231100 1998206 976048 97760 17678 120895 567694 1000991 25700 25385 30874 4852706 81320 66591 71381 273734 40312 1593002 72853 73562 65688 63970 43587 140915 102749 142424 163431 266317 128382 1090161 146653 260303 2794006 73059 137899 55405 1858494 133303 1135381 155040 39552 68811 99375 402331 60376 1920686 98483 788683 963319 55203 621601 1252428 174943 32663 50474 1227984 1368359 2290945 58267 2160320 67736 1086940 106686 1422001 64614 669752 1350079 81268 725558 343474 1329644 94450 1925756 3539469 1344663 228605 107342 923093 88 1092585 66111 377855 80801 2285200 119736 70293 1030699 313825 620183 274953 695999 34128 570080 129713 132259 176301 110044 1159959 46811 553068 4-Hydroxyphenyllactic acid 62 464 59 200 237 152807 271 302 695 13916 52851 460 10691 60950 160948 48115 107893 35071 19951 125 160289 294 79041 150905 637 17324 466 448 84059 384 102297 257 43706 78247 97335 265552 82327 2701 329 130 41953 39604 117 308 182 167019 1659 214 1670 23254 238 139315 124 397 1365 217 270 4046 620 110 2633 22811 2516 201614 4597 113 242574 684 2078 210 216842 439 56142 5284 180 15 808 43100 1762 209682 5233 91375 43674 263 18284 84072 7799 338 327 68022 173967 188411 283 172289 417 85286 1977 262922 16 101004 215130 6910 166941 32511 139257 27033 143344 295939 118618 10374 10199 60269 301 160700 13 13721 5030 111473 5 2594 38283 1054 82245 9795 91213 155 35103 3120 1616 1709 3064 57096 23 37276 Phosphate 67442320 89420069 72012881 79420607 75002260 86714888 56767039 63305259 81055643 70589179 94249380 58462000 89808302 72841457 69568392 69550593 80154471 67303600 73873694 67826006 10629516 71096771 69187172 105339723 92114543 3572115 109608493 66895400 91773941 68840471 83690795 89282704 81940085 48558618 51915864 49922318 64793746 72521208 61725128 112833716 87449026 58175083 76263517 65524575 82816580 59196081 63950144 64957373 63618530 63549257 63575575 60313807 66762248 75493638 70595511 63363670 77984463 80227111 72263526 89948797 73498545 80345593 76774712 85771599 69044428 68091594 65028726 62859373 82188969 79323009 64130419 65578941 91120127 78646121 73621467 68745072 78547466 75919328 88466978 56672213 66334121 71860252 82513822 70233972 67561716 56641283 77764596 73765838 66547140 102337666 102254846 91682147 81470601 64684477 85266350 87401425 74660477 74486143 90994332 77613853 69835348 82766254 73808649 69754866 78035459 60642734 67107190 68212763 58863748 1750602 58965366 93529097 48850795 52446710 60786838 72058509 84571967 69597471 79398142 90169438 69223824 74949449 76978148 64765999 67468254 66248083 73524862 74179745 60650560 74887785 65909239 63731264 79442446 82782557 Maltose 7061 666 2772 180 15387 84 1035 21320 29030 5162 21225 3087 1005 12346 4452 20 1583 20996 11145 6305 22303 1205 7452 33 4611 61469 960 9081 621 84994 1559 30256 752 111 472 5 196 434 32 1 28 9314 9 187 24 32856 104 25383 1470 2305 330 114 59497 531 4840 45 277 41510 528 1159 5875 5127 6472 1374427 7 5076 1269 6 9086 22 79 15794 27087 328 2805 92 59722 1745 1973 9047 1 35251 28560 157 1 139 9842 23057 40832 2776 294 1684 10266 2593 2062 298 38281 143 11 4 1 1418 12324 5946 62581 17 161 13161 22992 7 4664 887 6 20 167276 256 38682 85 138 9754 5879 75 569 3 66 3263 882 24476 4256 30 190 734 21828 58 3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- 867185 612761 2458523 580405 736054 1133212 1444460 1172878 1235213 1016852 4557747 2184504 837894 855105 9525942 1101552 9110229 1444714 2442268 337288 1556259 987274 1193131 9051173 845092 607148 2166361 276457 942853 1245789 3082461 6374468 610108 8465958 421869 1305427 857200 889340 340767 282062 4058513 1970266 707356 406043 668462 2353909 618620 963340 456946 587090 23029487 782294 741401 521829 883260 586202 439486 4664262 554178 454262 357983 729632 734827 3278221 1164229 1679419 1951856 1216952 1956029 11816014 378263 1305185 810724 874227 1035124 580242 1041984 948282 788549 721420 819499 875835 746146 736606 730747 918776 8923985 2399922 1291643 694283 1480615 766473 763229 600787 813184 674178 30050703 391922 328355 617792 13637506 3135482 985201 510729 2328730 1392706 761320 5875054 571232 671717 11158158 3827921 17 595855 6769433 1128497 6876595 816686 676270 830533 492921 13996538 1042599 14347122 839002 13889173 719527 577728 797314 675963 822893 870732 1960776 573000 4-Ketoglucose 103769 41105 329729 112619 204339 582736 274051 115331 70912 279048 612722 327079 286119 175947 793953 1335341 18715 289315 1053574 244510 23483 65510 63805 723562 406386 1430 448698 383662 52934 358261 304798 221554 572581 255601 234587 346386 419925 127975 96098 311158 201292 134614 210239 52076 202720 6304 352423 69999 103105 510721 186127 82111 172867 172080 83127 158812 67303 104789 98049 223491 171194 95786 399388 596603 227216 136701 507998 345822 261698 518042 300951 150782 319437 217642 327032 373527 187237 339461 211305 442145 264639 713626 360810 102060 761954 323750 19892 64351 406933 379386 17129 392044 111935 876892 45597 4879 73779 312448 141280 366927 81128 380583 990645 288079 460387 206658 118311 87372 140089 1175981 258923 699840 50573 446437 98152 513011 714660 729164 124833 309544 370242 740503 544912 798036 30960 179012 416978 366081 305031 104737 375378 524674 252135 832765 2-Piperidinecarboxylic acid 1856894 176861 136320 161859 368176 45890 171851 2310430 1953765 141208 221614 65320 65923 47807 170057 335446 89114 869898 78017 31161 296240 130932 53130 223247 511818 153737 566372 349448 64924 1090451 232301 162277 83782 213636 85600 55533 91238 566388 52020 144091 120064 245605 69867 204598 139554 155451 881693 180450 296488 296864 198968 47625 232027 503469 97158 162278 124796 205467 67874 109813 1255802 69749 130430 70179 189906 517794 41502 453659 466155 124317 222994 283979 1483377 187070 806546 841460 746366 65028 295281 86018 48577 189288 126677 165508 1019723 173220 381683 1010253 476451 290965 161489 1152260 1826999 208532 149914 104260 185177 41048 82813 2381518 443700 305813 52506 165757 634881 373588 25517 168420 997971 159745 261134 1029400 6452 98959 242768 147025 258017 48299 217544 602314 760775 280469 129266 1941614 219048 106642 113829 161846 431741 152447 257597 74433 344664 104779 Trehalose 7518 6030 10203 32139 639 32942 5750 55 642 5733 2554 13410 68 1000 21989 37930 22615 815 13827 4605 2585339 158895 17324 29065 6336 276 2991 1913 8755 806 35828 62883 17352 117167 36284 28470 21206 76681 39009 51914 67912 51228 85726 58626 64370 119306 49037 86473 94747 26877 62085 82679 42834 40688 88627 30728 79917 98998 42034 83414 90159 184990 88026 155072 27655 84230 57761 42034 106482 46555 33750 134948 9057 96695 64581 63886 36195 71878 61036 147164 39704 39440 19557 230786 129899 70083 130033 22752 140681 36985 18772 78468 21492 37313 59448 61937 26872 58380 51272 65336 101498 65816 100551 20444 71823 20780 25057 133385 52930 69938 45621 113501 212166 109315 62841 77388 65458 92266 174721 221058 77257 92787 34447 56626 157557 73100 12294 34021 70637 72017 59388 26837 48323 60607 Phthalic acid 1994324 1835836 1250616 2121799 1186137 1326360 1018112 1046643 4028417 1326422 1269975 1414906 1152271 1934010 1314956 841830 515562 1577535 1793034 1489411 317500 842335 1014399 346769 1261086 950629 1413336 1124654 7961547 951613 1069678 1266376 1081235 993102 1467874 833635 1727448 1640134 2342584 1826552 1823153 1466526 1953165 1004949 1541616 1060047 1795531 1633206 4231275 1993670 1742021 675402 1741155 1573342 1317862 1510320 1576934 1771150 1532675 2030088 2020783 1353096 2309850 1227603 1129480 1765298 919696 1631674 1459780 1775180 827631 1536930 1896188 1708183 1293191 1469800 1254351 1471633 1176177 1161726 1497643 1265368 1915798 2105067 2148580 1305308 1827290 2067301 1397390 1489521 1254405 1217170 1782497 899351 1924794 1462197 1549169 1054694 1545540 1864806 480341 2089566 1044757 1961852 1185777 491851 938974 1240414 1327961 2092995 2381316 849759 1210 480748 1076291 1604885 1818088 828186 1383952 1514472 875119 1736650 1789393 1821675 3218502 1780828 1924387 1649111 1436573 1841440 1632169 1629273 1794135 1628641 1-Monopalmitin 1046235 1142055 908965 957641 998436 1545008 830694 1038434 1043451 1250800 1493505 1568626 1388555 1232482 1208334 1324811 1441388 1140826 1173195 999241 1201865 1140194 1092868 1190770 1272449 1779084 1264512 1757766 1181543 1193620 1182873 948988 733009 1233102 1062566 949727 1025054 1015956 844996 2127315 872660 994083 1527037 1042923 914844 1051749 1068969 850654 870049 868837 1024294 897867 803334 804231 791201 817270 916244 938665 974404 865707 906301 877274 1104544 1119674 1083454 883914 1052961 1007480 1191189 1006607 844467 927590 1212628 1034204 1233334 999133 1619958 1033817 955854 926113 981213 956010 840921 1049425 1026286 1008796 2759341 868651 915671 1114434 901087 893614 833614 843321 1197487 909363 887581 832440 821866 1137397 1225725 1182170 1077441 1094358 1064668 758622 1017140 1077524 839502 1330631 1099687 1033806 3631713 981607 1043125 1009848 1073527 1096374 1232682 1010627 932397 1126053 1171707 1044831 3785148 1148648 1079791 1195403 949194 896501 1049825 1008308 1136957 1036111 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB_ID L-Val-L-Leu HMDB29131 2-oxo-4-methylvaleric acid 2-oxo-3-methylvaleric acid Isoleucine HMDB00172 Arachidonic acid Decosahexaenoic acid Linolic acid glycerol phosphate Caproic acid Glycerol HMDB00131 Hexadecanoic acid 1-stearoyl-rac-glycerol HMDB31075 Phenylalanine HMDB00159 Glutamate HMDB03339 Alanine HMDB00161 Threonine HMDB00167 Tyrosine HMDB00158 Lysine HMDB00182 Asparagine HMDB00168 Serine HMDB00187 5-oxoproline HMDB00267 Cystine HMDB00192 pyruvic acid Succinic acid Malic acid Threonic acid 2-Piperidone, 3-amino Glutaric acid Aminomalonic acid Hydroxy, acetic acid 2-Hydroxy-3-methylbutyric acid Arabitol HMDB00568 vitamin E Ethanolamine HMDB00149 (5-Amino-1H-tetraazol-1-yl)acetic acid Tetradecanoic acid Cholesterol 11,14-Eicosadienoic acid Glyceric acid Elaidic acid Proline HMDB00162 Methionine HMDB00696 Glucose HMDB00122 2-deoxy-3,4,5-tris-O-(trimethylsilyl)pentonate Inositol HMDB00211 Anthranilic acid Erythrotetrofuranose D-Gluconic acid 2-pyrrolidone-5-carboxylic acid Hydroxyglutaric acid Nicotinic acid 3-hydroxyoxyisovaleric acid Mannonic acid, lactone Palmitelaidic acid N-Acetyl-L-aspartic acid Cadaverine HMDB02322 2,3-Dihydroxybutanoic acid N-Acetyl-L-Lysine HMDB00446 Oleamide HMDB02117 5-Deoxypyridoxal L-2-aminobutyric acid 1-Monooleoylglycerol Spirophosph-Glucopyranoside Creatinine HMDB00562 cytosine HMDB00630 Salicylic acid Cyclohexyloxy 3-hydroxypyridine Methyltyrosine HMDB14903 4-aminobutyric acid 1H-Indole-3-acetic acid 6-hydroxy-2-aminohexanoic acid Octadecanoic acid Xylitol HMDB02917 Glucopyranose 3-Hydroxybutyric acid Myo-Inositol, phosphate 4-(acetylamino)phenyl-Glucopyranosiduronic acid Oleic acid glycol HMDB01881 3-hydroxyisobutyric acid Fructose HMDB00660 Cyclohexanone HMDB03315 Decanoic acid 2-oxo-3-methylbutanoate HMDB00019 1,4-Butanediamine HMDB01414 N,N-Dimethylglycine HMDB00092 2-hydroxybutyric acid thymine HMDB00262 laurate HMDB00638 Citric acid Aminoadipic acid 4-Hydroxyphenyllactic acid Phosphate Maltose 3,6-Dioxa-2,7-disilaoctane, 2,2,4,7,7-pentamethyl- 4-Ketoglucose 2-Piperidinecarboxylic acid Trehalose HMDB00975 Phthalic acid 1-Monopalmitin METABOLITES_END #END