#METABOLOMICS WORKBENCH Chenhu_1997_20251114_051150 DATATRACK_ID:6696 STUDY_ID:ST004406 ANALYSIS_ID:AN007368 PROJECT_ID:PR002785 VERSION 1 CREATED_ON November 28, 2025, 10:21 am #PROJECT PR:PROJECT_TITLE Effects of a Complex Probiotic Intervention on Serum Metabolism and PR:PROJECT_TITLE Tumor-Bearing Intestinal Segment Metabolism in FOLFOX Chemotherapy-Treated Mice PR:PROJECT_TITLE with Colorectal Cancer PR:PROJECT_SUMMARY An AOM/DSS-induced inflammation-associated colorectal cancer mouse model was PR:PROJECT_SUMMARY established to investigate the metabolic changes in FOLFOX chemotherapy with and PR:PROJECT_SUMMARY without complex probiotic intervention. PR:INSTITUTE Lanzhou University PR:DEPARTMENT School of Life Sciences PR:LABORATORY Probiotics and Life Health Institute PR:LAST_NAME Chen PR:FIRST_NAME Hu PR:ADDRESS Lanzhou University, Lanzhou City, Gansu Province, China, lanzhou, Gansu, 730000, PR:ADDRESS China PR:EMAIL chenhu21@lzu.edu.cn PR:PHONE 13732910293 #STUDY ST:STUDY_TITLE Effects of a Complex Probiotic Intervention on Serum Metabolism and ST:STUDY_TITLE Tumor-Bearing Intestinal Segment Metabolism in FOLFOX Chemotherapy-Treated Mice ST:STUDY_TITLE with Colorectal Cancer ST:STUDY_SUMMARY An AOM/DSS-induced inflammation-associated colorectal cancer mouse model was ST:STUDY_SUMMARY established to investigate the metabolic changes in FOLFOX chemotherapy with and ST:STUDY_SUMMARY without combined probiotic intervention. For the azoxymethane plus dextran ST:STUDY_SUMMARY sulfate sodium (AOM/DSS) model, 8-week-old female BALB/c mice were ST:STUDY_SUMMARY intraperitoneally injected with 10 mg/kg AOM (Sigma-Aldrich, Saint Louis, USA), ST:STUDY_SUMMARY followed by three cycles of DSS (MP Biomedicals, Ohio, USA) to mimic ST:STUDY_SUMMARY colitis-associated colorectal cancer (CAC). For each cycle, the mice were given ST:STUDY_SUMMARY free access to drinking water supplemented with 2% DSS for 1 week, followed by 2 ST:STUDY_SUMMARY weeks of regular water. FOLFOX treatment was used as described in ST:STUDY_SUMMARY 10.3390/nu15051117. Following a one-week intervention with composite probiotics ST:STUDY_SUMMARY or vehicle, oxaliplatin (1 mg/kg) was administered intraperitoneally, followed ST:STUDY_SUMMARY by daily intraperitoneal injections of 5-fluorouracil (50 mg/kg) and calcium ST:STUDY_SUMMARY folinate (10 mg/kg) for 5 days. All solutions were freshly prepared in sterile ST:STUDY_SUMMARY saline before administration. The control group received an equivalent volume of ST:STUDY_SUMMARY saline via intraperitoneal injection. On the day of oxaliplatin injection, ST:STUDY_SUMMARY loperamide (0.2 mg/day) was administered via oral gavage to the designated mice, ST:STUDY_SUMMARY according to the experimental protocol.The tissue and serum samples for this ST:STUDY_SUMMARY test were collected one day after completion of the FOLFOX regimen. Compared ST:STUDY_SUMMARY with the CAC-F group, the CAC-FPL group displayed 62 upregulated and 36 ST:STUDY_SUMMARY downregulated metabolites in tumor tissues, along with 181 upregulated and 149 ST:STUDY_SUMMARY downregulated serum metabolites. Pathway analysis revealed significant ST:STUDY_SUMMARY enrichment of nicotinate and nicotinamide metabolism, suggesting that ST:STUDY_SUMMARY nicotinamide metabolism may be a key mechanism by which composite probiotics ST:STUDY_SUMMARY enhance CAC-FOLFOX prognosis. Probiotics counteract FOLFOX-induced NAD⁺ ST:STUDY_SUMMARY depletion via downregulating NNMT to reduce nicotinamide loss and reshaping ST:STUDY_SUMMARY microbiota to enhance nicotinic acid production. ST:INSTITUTE Lanzhou University ST:DEPARTMENT School of Life Sciences ST:LABORATORY Probiotics and Life Health Institute ST:LAST_NAME Chen ST:FIRST_NAME Hu ST:ADDRESS Lanzhou University, Lanzhou City, Gansu Province, China ST:EMAIL chenhu21@lzu.edu.cn ST:PHONE 13732910293 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Female SU:ANIMAL_ANIMAL_SUPPLIER Laboratory Animal Center, Lanzhou University SU:ANIMAL_HOUSING Five mice were housed in individually ventilated cages. SU:ANIMAL_LIGHT_CYCLE 12 h light/dark cycle SU:ANIMAL_FEED standard diet ad libitum SU:ANIMAL_WATER Provide a 2% DSS solution or normal drinking water on a regular basis. SU:ANIMAL_INCLUSION_CRITERIA eight-week-old BALB/c #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - A1T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A1T.mzXML SUBJECT_SAMPLE_FACTORS - A2T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A2T.mzXML SUBJECT_SAMPLE_FACTORS - A3T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A3T.mzXML SUBJECT_SAMPLE_FACTORS - A4T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A4T.mzXML SUBJECT_SAMPLE_FACTORS - A5T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A5T.mzXML SUBJECT_SAMPLE_FACTORS - A6T Sample source:colonic tissue | Treatment:Control RAW_FILE_NAME=A6T.mzXML SUBJECT_SAMPLE_FACTORS - A1S Sample source:serum | Treatment:Control RAW_FILE_NAME=A1S.mzXML SUBJECT_SAMPLE_FACTORS - A2S Sample source:serum | Treatment:Control RAW_FILE_NAME=A2S.mzXML SUBJECT_SAMPLE_FACTORS - A3S Sample source:serum | Treatment:Control RAW_FILE_NAME=A3S.mzXML SUBJECT_SAMPLE_FACTORS - A4S Sample source:serum | Treatment:Control RAW_FILE_NAME=A4S.mzXML SUBJECT_SAMPLE_FACTORS - A5S Sample source:serum | Treatment:Control RAW_FILE_NAME=A5S.mzXML SUBJECT_SAMPLE_FACTORS - A6S Sample source:serum | Treatment:Control RAW_FILE_NAME=A6S.mzXML SUBJECT_SAMPLE_FACTORS - B1T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B1T.mzXML SUBJECT_SAMPLE_FACTORS - B2T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B2T.mzXML SUBJECT_SAMPLE_FACTORS - B3T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B3T.mzXML SUBJECT_SAMPLE_FACTORS - B4T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B4T.mzXML SUBJECT_SAMPLE_FACTORS - B5T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B5T.mzXML SUBJECT_SAMPLE_FACTORS - B6T Sample source:colonic tissue | Treatment:AOM/DSS RAW_FILE_NAME=B6T.mzXML SUBJECT_SAMPLE_FACTORS - B1S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B1S.mzXML SUBJECT_SAMPLE_FACTORS - B2S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B2S.mzXML SUBJECT_SAMPLE_FACTORS - B3S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B3S.mzXML SUBJECT_SAMPLE_FACTORS - B4S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B4S.mzXML SUBJECT_SAMPLE_FACTORS - B5S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B5S.mzXML SUBJECT_SAMPLE_FACTORS - B6S Sample source:serum | Treatment:AOM/DSS RAW_FILE_NAME=B6S.mzXML SUBJECT_SAMPLE_FACTORS - F1T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F1T.mzXML SUBJECT_SAMPLE_FACTORS - F2T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F2T.mzXML SUBJECT_SAMPLE_FACTORS - F3T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F3T.mzXML SUBJECT_SAMPLE_FACTORS - F4T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F4T.mzXML SUBJECT_SAMPLE_FACTORS - F5T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F5T.mzXML SUBJECT_SAMPLE_FACTORS - F6T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F6T.mzXML SUBJECT_SAMPLE_FACTORS - F1S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F1S.mzXML SUBJECT_SAMPLE_FACTORS - F2S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F2S.mzXML SUBJECT_SAMPLE_FACTORS - F3S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F3S.mzXML SUBJECT_SAMPLE_FACTORS - F4S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F4S.mzXML SUBJECT_SAMPLE_FACTORS - F5S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F5S.mzXML SUBJECT_SAMPLE_FACTORS - F6S Sample source:serum | Treatment:AOM/DSS+FOLFOX RAW_FILE_NAME=F6S.mzXML SUBJECT_SAMPLE_FACTORS - G1T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G1T.mzXML SUBJECT_SAMPLE_FACTORS - G2T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G2T.mzXML SUBJECT_SAMPLE_FACTORS - G3T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G3T.mzXML SUBJECT_SAMPLE_FACTORS - G4T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G4T.mzXML SUBJECT_SAMPLE_FACTORS - G5T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G5T.mzXML SUBJECT_SAMPLE_FACTORS - G6T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G6T.mzXML SUBJECT_SAMPLE_FACTORS - G1S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G1S.mzXML SUBJECT_SAMPLE_FACTORS - G2S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G2S.mzXML SUBJECT_SAMPLE_FACTORS - G3S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G3S.mzXML SUBJECT_SAMPLE_FACTORS - G4S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G4S.mzXML SUBJECT_SAMPLE_FACTORS - G5S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G5S.mzXML SUBJECT_SAMPLE_FACTORS - G6S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics RAW_FILE_NAME=G6S.mzXML SUBJECT_SAMPLE_FACTORS - H1T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H1T.mzXML SUBJECT_SAMPLE_FACTORS - H2T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H2T.mzXML SUBJECT_SAMPLE_FACTORS - H3T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H3T.mzXML SUBJECT_SAMPLE_FACTORS - H4T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H4T.mzXML SUBJECT_SAMPLE_FACTORS - H5T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H5T.mzXML SUBJECT_SAMPLE_FACTORS - H6T Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H6T.mzXML SUBJECT_SAMPLE_FACTORS - H1S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H1S.mzXML SUBJECT_SAMPLE_FACTORS - H2S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H2S.mzXML SUBJECT_SAMPLE_FACTORS - H3S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H3S.mzXML SUBJECT_SAMPLE_FACTORS - H4S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H4S.mzXML SUBJECT_SAMPLE_FACTORS - H5S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H5S.mzXML SUBJECT_SAMPLE_FACTORS - H6S Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide RAW_FILE_NAME=H6S.mzXML #COLLECTION CO:COLLECTION_SUMMARY Blood and colon tissue were collected from mice immediately after euthanasia. CO:COLLECTION_SUMMARY Serum was obtained by centrifuging the blood after it had sufficiently settled. CO:COLLECTION_SUMMARY Colon tissue was identified by personnel with specialized anatomical expertise, CO:COLLECTION_SUMMARY who excised tumor-bearing intestinal segments. These segments were rinsed with CO:COLLECTION_SUMMARY pre-chilled PBS buffer and rapidly frozen in liquid nitrogen for subsequent CO:COLLECTION_SUMMARY analysis. CO:SAMPLE_TYPE serum and colonic tissue CO:VOLUMEORAMOUNT_COLLECTED 100 μL and 200 mg CO:STORAGE_CONDITIONS -80℃ CO:COLLECTION_TUBE_TEMP 4℃ #TREATMENT TR:TREATMENT_SUMMARY For the azoxymethane plus dextran sulfate sodium (AOM/DSS) model, 8-week-old TR:TREATMENT_SUMMARY female BALB/c mice were intraperitoneally injected with 10 mg/kg AOM TR:TREATMENT_SUMMARY (Sigma-Aldrich, Saint Louis, USA), followed by three cycles of DSS (MP TR:TREATMENT_SUMMARY Biomedicals, Ohio, USA) to mimic colitis-associated colorectal cancer (CAC). For TR:TREATMENT_SUMMARY each cycle, the mice were given free access to drinking water supplemented with TR:TREATMENT_SUMMARY 2% DSS for 1 week, followed by 2 weeks of regular water. FOLFOX treatment was TR:TREATMENT_SUMMARY consistently applied in FOLFOX-induced injury, AOM/DSS-induced CAC, and MC38 TR:TREATMENT_SUMMARY tumor models. Following a one-week intervention with composite probiotics or TR:TREATMENT_SUMMARY vehicle, oxaliplatin (1 mg/kg) was administered intraperitoneally, followed by TR:TREATMENT_SUMMARY daily intraperitoneal injections of 5-fluorouracil (50 mg/kg) and calcium TR:TREATMENT_SUMMARY folinate (10 mg/kg) for 5 days. All solutions were freshly prepared in sterile TR:TREATMENT_SUMMARY saline before administration. The control group received an equivalent volume of TR:TREATMENT_SUMMARY saline via intraperitoneal injection. On the day of oxaliplatin injection, TR:TREATMENT_SUMMARY loperamide (0.2 mg/day) was administered via oral gavage to the designated mice, TR:TREATMENT_SUMMARY according to the experimental protocol. TR:TREATMENT_COMPOUND AOM, DSS, Loperamide, 5-fluorouracil, oxaliplatin, calcium folinate TR:TREATMENT_ROUTE Intraperitoneal injection/ gavage TR:TREATMENT_DOSEDURATION About three months TR:TREATMENT_VEHICLE normal saline TR:ANIMAL_ANESTHESIA Pentobarbital Sodium TR:ANIMAL_ACCLIMATION_DURATION 2 weeks TR:ANIMAL_FASTING 12 hours before sacrifice TR:ANIMAL_ENDP_EUTHANASIA excessive anesthesia euthanasia #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Metabolites Extraction of serum： 100 μL of serum was taken, mixed with 400 SP:SAMPLEPREP_SUMMARY μL of extraction solution (MeOH:ACN, 1:1 (v/v)), the extraction solution SP:SAMPLEPREP_SUMMARY contain deuterated internal standards, the mixed solution were vortexed for 30 SP:SAMPLEPREP_SUMMARY s, sonicated for 10 min in 4 ℃ water bath, and incubated for 1 h at -40 ℃ to SP:SAMPLEPREP_SUMMARY precipitate proteins. Then the samples were centrifuged at 12000 rpm SP:SAMPLEPREP_SUMMARY (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The supernatant was transferred SP:SAMPLEPREP_SUMMARY to a fresh glass vial for analysis. The quality control (QC) sample was prepared SP:SAMPLEPREP_SUMMARY by mixing an equal aliquot of the supernatant of samples. Metabolites Extraction SP:SAMPLEPREP_SUMMARY of Solid： The animal tissue samples (25 mg±1 mg) were taken, mixed with beads SP:SAMPLEPREP_SUMMARY and 500 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). The extraction SP:SAMPLEPREP_SUMMARY solution contain deuterated internal standards. The mixed solution were vortexed SP:SAMPLEPREP_SUMMARY for 30 s. Then the mixed samples were homogenized (35 Hz,4 min) and sonicated SP:SAMPLEPREP_SUMMARY for 5 min in 4 ℃ water bath, the step repeat for three times. The samples were SP:SAMPLEPREP_SUMMARY incubated for 1 h at -40 ℃ to precipitate proteins. Then the samples ware SP:SAMPLEPREP_SUMMARY centrifuged at 12000 rpm (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The SP:SAMPLEPREP_SUMMARY supernatant was transferred to a fresh glass vial for analysis. The quality SP:SAMPLEPREP_SUMMARY control (QC) sample was prepared by mixing an equal aliquot of the supernatant SP:SAMPLEPREP_SUMMARY of samples. SP:PROCESSING_STORAGE_CONDITIONS -80℃ SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY For polar metabolites, LC-MS/MS analyses were performed using an UHPLC system CH:CHROMATOGRAPHY_SUMMARY (Vanquish, Thermo Fisher Scientific) with a Waters ACQUITY UPLC BEH Amide (2.1 CH:CHROMATOGRAPHY_SUMMARY mm × 50 mm, 1.7 μm) coupled to Orbitrap Exploris 120 mass spectrometer CH:CHROMATOGRAPHY_SUMMARY (Orbitrap MS, Thermo). The mobile phase consisted of 25 mmol/L ammonium acetate CH:CHROMATOGRAPHY_SUMMARY and 25 ammonia hydroxide in water（pH = 9.75）(A) and acetonitrile (B). The CH:CHROMATOGRAPHY_SUMMARY auto-sampler temperature was 4 ℃, and the injection volume was 2 μL. CH:CHROMATOGRAPHY_TYPE HILIC CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Waters ACQUITY UPLC BEH Amide (50 x 2.1mm,1.7um) CH:SOLVENT_A 100% water; 25mM ammonium acetate; 25mM ammonium hydroxide; pH = 9.75 CH:SOLVENT_B 100% Acetonitrile CH:FLOW_GRADIENT 0-0.25min, 95% B; 0.25-3.5min, 95%-65%B; 3.5-4min, 65%B-40%B; 4-4.5min, 40%B; CH:FLOW_GRADIENT 4.5-4.55min, 40%-95%B; 4.55-6min, 95%B CH:FLOW_RATE 0.5 mL/min CH:COLUMN_TEMPERATURE 25 CH:INJECTION_TEMPERATURE 4 #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Orbitrap Exploris 120 MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The Orbitrap Exploris 120 mass spectrometer was used for its ability to acquire MS:MS_COMMENTS MS/MS spectra on information-dependent acquisition (IDA) mode in the control of MS:MS_COMMENTS the acquisition software (Xcalibur, Thermo). In this mode, the acquisition MS:MS_COMMENTS software continuously evaluates the full scan MS spectrum. The ESI source MS:MS_COMMENTS conditions were set as following: sheath gas flow rate as 50 Arb, Aux gas flow MS:MS_COMMENTS rate as 15 Arb, capillary temperature 320 ℃, full MS resolution as 60000, MS:MS_COMMENTS MS/MS resolution as 15000, collision energy: SNCE 20/30/40, spray voltage was MS:MS_COMMENTS -3.4 kV (negative). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak area MS_METABOLITE_DATA_START Samples F1T F2T F3T F4T F5T F6T G1T G2T G3T G4T G5T G6T H1T H2T H3T H4T H5T H6T B1T B2T B3T B4T B5T B6T A1T A2T A3T A4T A5T A6T F1S F2S F3S F4S F5S F6S G1S G2S G3S G4S G5S G6S H1S H2S H3S H4S H5S H6S B1S B2S B3S B4S B5S B6S A1S A2S A3S A4S A5S A6S Factors Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:AOM/DSS Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:colonic tissue | Treatment:Control Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS+FOLFOX+Probiotics+Loperamide Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:AOM/DSS Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control Sample source:serum | Treatment:Control (12Z)-9,10,11-Trihydroxyoctadec-12-enoic acid 3582542.437 2715243.313 4150416.568 2229149.044 3083601.153 3525838.932 2914723.338 9296959.313 5283927.078 1041992.151 3436689.981 4018533.138 4246953.297 14104530.41 13715190.99 5853241.885 3028630.251 3533386.04 12561688.93 2106438.801 17500921.61 10688159.65 3221868.411 7314089.985 18938237.18 20107841.27 6626973.809 7165060.965 12607270.19 19867954.82 7423804.184 5227568.392 7138697.715 1603190.252 2601410.029 972034.1769 1178454.391 1314404.247 879282.287 1326583.218 2093905.823 937445.249 4329688.848 3322784.396 2774714.688 1856505.365 1112670.697 2032840.437 782215.3178 2643218.184 1050511.943 1212019.635 1642415.842 1495286.181 2113792.189 2737390.475 1701364.749 1419223.312 1635401.401 2139877.028 (1-Hydroxycyclohexyl)acetic acid 3070967.792 1817061.962 3133009.954 2264932.177 2647421.599 4909076.823 4828066.524 3499392.303 4413549.657 1539824.824 3612168.539 3213048.708 2979046.686 3617178.019 3278414.005 3682597.342 3990836.905 4196738.527 4358706.916 1213655.084 2860233.626 2652129.622 1578721.489 2237701.752 3743283.541 3557773.276 4058771.139 3936289.083 3218253.649 3830548.899 6676226.282 7543700.175 6642273.192 8497511.145 5434294.357 10337902.68 6376869.207 5536228.252 6588550.227 5150387.261 5631192.128 8189006.979 5898654.33 7108197.491 7140761.763 5963487.719 7119071.711 5919537.962 3287609.978 6030156.87 5881273.088 4895586.572 5740472.236 4332392.473 5392662.757 5594388.479 5913262.913 4274888.74 5653075.689 5832254.128 (1S,3R)-1-Aminocyclopentane-1,3-dicarboxylic acid 1083952.923 249692.4942 1293085.929 344512.0233 1651316.24 1221071.611 1164730.709 1296520.477 2304211.297 272568.0188 1092308.557 1444970.3 1927344.962 2088097.181 1367791.209 717043.7746 1380178.544 1339587.692 3359678.293 1344849.356 351877.9228 730086.9408 271005.2463 1018266.046 778050.3125 1761212.936 1560497.995 1020661.104 2468977.529 948067.1392 1670414.594 779138.2465 1294076.997 445612.1654 748062.283 449007.1411 1078847.051 725554.3019 1391403.649 952127.9189 1552579.852 380099.1363 1738625.905 1514439.478 1694210.92 594613.9156 908633.0365 778260.1498 1052381.189 1426738.471 1246116.09 1499823.681 941456.9993 947597.3467 1191161.256 1133550.291 809973.4192 1338089.034 1021288.045 983840.0924 (1S,4R)-4-[[(2S,3aS,4S)-4-Hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione 486597.1172 31457.79099 292503.1321 50221.20602 294537.4408 239251.9539 220257.4741 164385.7993 430504.1628 0 303974.7465 347004.2321 83505.27122 181685.7221 125503.3621 107838.0519 350949.3815 462826.5233 201116.1299 12167.96362 46589.3182 46003.28303 19665.67453 33380.55935 51552.7971 117412.7847 137978.6356 54761.82452 116400.4583 83329.23901 151291.6937 77585.85324 81144.68112 139047.0477 34660.65234 117822.7968 68977.97176 89486.92987 53495.96625 64053.55228 37523.95906 42376.0844 26057.0091 16331.06916 10901.76538 16554.52131 58580.00524 66562.03549 21939.2348 12807.51295 14731.4197 24900.87965 7596.429778 25211.89739 40101.898 44896.30305 18895.28806 63764.45515 20489.20305 29839.33862 (2-{[3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium 1355964.587 703892.9082 1702203.254 596880.4379 1117162.549 1666953.22 1384219.976 1278426.899 2024906.618 1023064.982 1509613.816 1325934.148 2817521.396 2664225.22 3170806.581 1524912.207 1234978.507 1512553.397 3099106.3 1394201.42 1187425.235 2174895.958 1402153.391 1314543.822 2298547.708 1229269.61 2695625.982 1820339.413 3282027.31 1983412.627 13717338.15 16047118.87 22334415.01 21014253.8 13586923.37 18528862.3 19677434.87 19811746.91 17052859.64 17328534.23 15740850.36 19196538.1 14062122.35 12167278.85 13944103.63 12451825.06 19341966.11 20904275.3 9424939.658 10945571.76 8883109.056 9594240.759 8687380.486 11489026.77 12534075.61 10026818.06 11206115.83 11361910.35 11858086.9 9726958.502 (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-[octadeca-1.11-dien-1-yloxy]propoxy]phosphinic acid 10687695.74 5148188.342 10630861.66 4701607.818 10924904.39 12249289.83 8200572.405 7652719.429 15018330.07 6108585.651 16338241.62 12302898.73 12060619.91 10942370.66 12159920.18 8369264.996 8118100.803 11068184.89 9423678.348 6274735.742 4388323.135 8770491.166 4462772.702 10306550.61 7661751.598 5697251.977 10795947.44 6381192.235 10440895.81 8481117.484 55808321.58 30944064.7 45738756.37 37057375.46 42550762.83 17128128.52 29941299.06 22972315.4 31889455.97 59389447.39 39295486.39 9100316.045 87690997.32 61268266.87 93881550.41 34702097.62 39033250.29 38052130.09 53444397.87 42386030.11 29489350.89 50785055.99 20317810.41 47288943.85 29032730.84 31980645.33 39698765.46 34399413.76 44000924.88 21749445.6 (2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-11-enoyloxy]propoxy]phosphinic acid 6632506.495 6475360.445 4214161.346 2158566.736 4485858.719 4951600.707 4697914.72 4367023.495 7951261.415 7986413.757 8492399.933 3514387.352 3747898.878 6722662.225 9218754.963 8527875.153 5940555.218 6007232.206 5634205.699 7320989.477 10533497.33 7232556.652 6978139.179 22285027.93 8949029.748 2120996.003 3023997.173 2068327.123 9816963.211 3110288.329 27132384.06 51791146.4 37121659.78 45173867.77 35459833.34 82448378.01 109362684.6 21945506.43 37414331.68 33575291.4 23285875.26 193612495.2 29902550.54 47418072.77 85779234.03 26947049.66 42441577.47 52205211.49 19549557.27 31376969.41 7437932.379 15240546.5 14562379.1 21464906.09 24110481.77 6922507.653 10729793.83 15296562.88 8672176.742 6550878.521 (2E)-4-Hydroxybut-2-enoic acid 9736110.532 7087345.11 16083181.11 3915050.992 8557776.569 6079623.63 12419857.53 13992838.02 70105.33847 4456834.226 12344547.79 19246336.01 4513255.153 19197709.76 4227515.092 12479362.33 12181002.19 58883.98894 20471374.85 14562606.42 107445781.1 14489413.73 3993152.81 14065445.92 11179683.99 5539293.563 21062202.71 34919.66781 7710206.041 15057864.4 34809382.03 63633696.46 9754285.542 7155617.466 35164081.45 13802152.69 9522960.087 2766913.02 16728418.23 28133603.73 30172625.99 9154756.368 50635434.74 45713639.33 41524978.67 34437969.08 32252948.03 22505414.54 70769117.57 44538549.38 70026545.17 68147797.98 53163031.2 60473107.55 58385745.78 60046654.09 68241870.1 39857428.74 54733445.51 68537572.24 (2R)-2,4-Dihydroxy-3,3-dimethylbutanoic acid 511727.3701 123516.9984 442557.8533 131718.85 206315.5496 502113.9752 320203.7054 339748.1589 550165.5256 87439.91636 242678.1687 226604.2977 599118.4242 744383.9583 512122.3846 231596.9326 554560.2746 345879.4178 1047365.845 97170.82537 119727.1626 335490.1191 133191.9075 232753.8415 275033.996 764927.9301 729920.2743 681897.7376 642117.6447 538940.3964 701717.9113 822974.1528 1293096.221 1294227.329 795350.0942 1406012.33 835930.7886 917252.2532 1089513.146 1084209.371 540247.4738 1784439.947 811042.8336 753203.3396 907000.3375 1014060.745 827512.8617 707186.0273 392319.8537 550829.2544 566087.478 431738.9099 307457.8126 355039.75 473739.022 414479.4376 376540.3684 436749.8841 463408.3846 412272.6634 (2S,3R)-2,3,4-Trihydroxybutyl 2,6-di-O-acetyl-3-O-dodecanoyl-.beta.-D-mannopyranoside 337060.9476 371499.5643 549507.4036 578332.825 731916.8543 629835.1388 611873.5177 936516.0159 254214.6313 510970.5125 180286.7944 812216.8159 827705.834 991148.3162 919607.9871 320829.2624 456723.0722 370854.884 696325.9075 1378775.68 2147649.499 3747239.394 2063708.947 1601770.372 1798779.341 2040133.814 1444586.609 1897061.631 1192739.297 2218071.757 879876.2261 1521739.945 5355014.155 3315198.047 1218655.424 804715.624 4485937.2 3646622.405 3957874.753 2646566.608 4964666.198 896519.5613 1295028.86 551868.056 1115249.884 3144588.825 4544350.398 5123796.706 2750010.502 1272244.204 1064819.484 1676580.931 2872237.06 714146.8259 3019549.731 2028040.213 1945911.074 1298495.538 2090114.349 2567713.484 (5.xi.,9.xi.,10.alpha.,15.beta.)-15-(((2Z)-2-Methylbut-2-enoyl)oxy)kaur-16-en-18-oic acid 193015.7866 290152.3594 445719.9248 165098.9415 133278.993 0 75516.68272 392488.2556 30340.99846 148756.8387 165990.8268 640114.9776 141616.6886 80526.49692 184469.7669 278051.1207 64809.42804 41761.77518 1282776.54 325275.6081 206790.5135 359604.7738 166513.3896 271761.3423 144165.7799 204125.5974 161688.7842 145449.2213 165874.7301 0 239168.0982 385063.1504 0 162850.2162 347804.0409 170597.8023 27572.97802 65751.70316 178817.1993 319045.2318 170592.2968 402815.383 240304.3215 145690.5131 235155.2202 364376.5418 215623.1672 137378.9498 121174.7112 255913.0768 526375.3939 353232.0146 315559.2056 143225.5033 2486213.668 2049315.658 1831791.947 1954427.377 2178812.162 2334231.962 (6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid 6210164.133 10246938.38 8393414.341 13728071.8 14352799.73 9472910.103 6450440.798 10278766.46 6629336.77 4581007.9 11684974.81 15869464.6 18198808.36 7019445.388 5006286.327 21626432.87 10240304.25 18781210.15 10120945.48 6083932.557 8706442.308 17719893.13 2590342.464 5816120.754 30033252.59 23253101.59 27147171.49 38633282.48 20694496.99 28029976.7 5302720.566 3668094.664 2057490.377 2152510.686 3505630.832 1925139.002 1757995.878 3022626.434 1350503.202 1821646.56 5306403.89 1387837.888 13646022.39 10303489.57 8305099.997 2812795.824 5882868.286 2814761.404 815170.9299 5831918.8 1555635.866 1677278.287 2269133.792 1453917.361 2503020.277 847285.2185 1542445.143 6231558.296 2555527.902 1105219.806 (9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acid 1603330.073 1677495.526 2024881.747 1605638.391 3264492.955 4195207.038 1480717.691 3280095.492 3470270.77 321463.1841 1429557.183 2575600.544 3427994.342 10420607.38 15277346.08 2945301.801 1251156.05 1974690.111 13637470.89 1302704.174 25022237.04 8055333.908 2079883.831 6931340.164 9865357.753 6248121.097 3889434.981 3944492.547 5738595.248 3442970.601 15471957.72 2761822.481 7475429.957 1326996.904 3215176.482 1226033.486 988153.9006 19314697.63 3728720.516 966270.6604 1562864.544 1848430.776 5480953.094 19221717.95 7081977.537 2235639.459 2419150.225 1335880.645 3750449.349 5268820.081 4210849.677 4047293.866 3452687.084 3532002.094 25520591.56 4922593.952 5388955.723 22060240.38 5766772.158 4360540.47 (E)-3-(4-Acetyloxy-2,3-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)prop-2-enoic acid 8106447.18 4290941.411 14056780.65 2016760.428 2585794.716 14273277.09 9984958.177 10911411.2 6315042.35 1814522.313 7417972.091 4766773.568 1964583.705 4299222.474 11013888.32 6901395.396 7333438.149 8257122.343 14287314.07 42325320.3 5553610.762 13815625.52 1679617.509 94022633.76 16776138.71 9319474.016 5526822.2 41506062.43 6081613.7 7081236.226 7081090.115 35874.40532 7452782.975 2698319.298 3571822.034 3635542.549 2938911.687 5331769.674 2335901.205 4908686.059 31485.23242 2977351.277 4757414.472 4814382.138 37201.30377 4417922.195 3849163.423 2788451.389 3079693.719 1430369.715 40450.64872 1413434.9 1064851.301 49847.08859 33252.65671 38088.27253 1541610.781 745236.9981 33893.69101 2399332.001 (E)-5-[(1S,4aR,8aR)-2-Formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid 11664346.27 11346547.9 11987643.15 11483360.09 15587826.43 19944670.26 8561682.68 16708462.38 15255548.12 7799719.477 13563294.76 13106379.91 6996282.597 19491926.85 17015219.37 8142382.595 10670617.61 11523320.27 9909716.113 9578439.724 22475749.11 14739152.71 10125364.86 15473880.57 14269802.17 21501180 8287673.92 4257970.079 7717168.328 15068991.03 27365206.54 24455793.81 19984576.53 20316691.38 29217625.33 19097633.72 25912475.97 14645094.79 25483840.51 14265295.58 24022108.2 19705007.93 24762401.65 27032237.84 21003619.82 21220863.07 22779816.52 18948893 30831825.85 25731448.15 33517772.72 33306135.68 34954026.12 31463780.37 27656696.65 24782537.67 28820560.96 26959524.85 28384156.08 25685259.22 (S)-3,4-Dihydroxybutyric acid (lithium hydrate) 2173614.24 547131.5616 1852002.964 1158025.124 1797012.604 1727296.818 1107507.06 1661251.644 1543721.932 651336.2182 1079043.004 1498695.959 1156999.645 1419084.541 1340200.12 1157989.322 1497331.254 1295941.02 1558110.862 1041456.9 570903.3745 2015671.268 1014623.013 1524849.816 734456.0708 780270.8145 1041969.331 816158.6312 1141515.166 2228117.919 3056807.79 3375213.608 3624191.232 2232660.067 3297904.18 2261220.655 3519502.133 2144208.663 3199384.102 4570493.492 3131382.868 3594008.779 4775410.734 6459115.452 2632206.349 3748764.238 3377936.997 4783398.303 7612886.645 6715370.953 5265727.815 9022776.518 8069885.118 6326236.141 5819983.299 9261685.992 10558430.12 3613040.293 4303722.116 11185136.5 (S)-3,5-Dihydroxyphenylglycine 4032666.299 1257135.565 14028616.77 1047788.322 7967812.198 4280723.128 2255399.78 5821622.584 8001802.901 915520.4596 2178615.051 5804533.256 16814786.65 10278088.04 45484390.31 4044767.597 3085903.814 1860983.847 88792594.99 3141176.167 3217844.021 11726103.52 2688554.311 13991444.01 13287559.08 20371031.22 28343.34193 8745595.683 33339203.39 40674080.56 22750170.59 16085237.4 12936507.9 11690765.46 18063581.6 16321941.05 7514335.274 20118076.94 10846975.63 9236359.928 12761797.41 7388067.973 19646774.05 13133417.12 16006595.07 9730489.706 14204082.15 9199141.514 9513971.037 11056041 6576487.89 9135807.32 7426380.779 8138307.686 8045400.78 8561704.045 5232203.645 12578775.39 9373906.378 6525109.839 [(4-Methylbenzyl)sulfanyl]acetic acid 4791187.654 40431.65731 4908463.079 13855.19651 4368631.302 4664429.355 4495208.858 6375529.622 12419739.96 70432.17011 4903175.733 10024476.71 3800023.251 13358854.32 21493483.02 3486923.717 6091776.808 21433489.93 15504894.49 61606.2408 71797.76845 54244.76699 27008.14634 31025.06738 403105.1222 9340062.814 8002979.012 5191378.439 8050007.84 1620223.429 414549.9164 623677.8675 107217.4104 91888.17096 378811.168 343514.2429 142096.7209 609206.0828 198259.1047 279634.1208 298541.395 85299.10763 377104.4263 233369.5167 334210.1165 300504.8375 646460.2818 494131.3568 994840.8833 370823.532 567099.463 927126.1081 375268.8787 381034.3103 526198.9352 531123.1836 938998.8846 351492.8975 424630.563 904063.7802 [2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid 4663637.375 3195708.054 8309818.009 1772023.806 2855747.002 2522690.408 7637846.412 4881576.04 6363741.336 2551573.489 10792284.08 6116030.474 2761228.191 4625105.39 2208936.594 6582473.459 6950107.061 8836254.181 6200146.425 4152249.097 5566174.312 6226276.558 2731270.456 8945861.089 3827340.597 1702167.561 7310121.94 2086459.135 7850787.07 3499698.388 120758566.8 133292047 146497355 176733791.2 115934546.5 142918230.1 133148516.7 68023941.42 144409239.7 178113188.5 125426863.8 94151953.75 110339256.6 106242514.8 112085785.6 134824252.2 156145952.8 162671543.6 114851074.9 109959639.8 94146933.69 89824805.4 92765864.81 135574819.6 107090109 100570057.1 91144872.9 99134490.97 90061741.21 79822176.14 [4-(4-Hydroxy-2-quinazolinyl)phenyl]methanesulfonamide 10069712.55 4666996.502 17949834.82 2682842.714 12768409.19 6880015.468 13629534.17 9525342.492 7505891.666 801065.6869 11625905.04 16113016.62 3847059.904 6663768.787 10157256.8 9568207.759 8888872.999 9521771.946 8424275.99 1741172.031 2493470.015 2754345.952 1349153.57 3426410.014 3148353.479 2496068.554 2408843.579 2418627.662 3926246.228 4581561.163 4620756.53 3406226.092 861234.3068 1756609.682 2499135.488 1456362.414 1833883.375 8811596.515 593782.3998 1365308.879 1619585.935 2647232.723 4086358.442 2426186.312 2716066.359 3108012.595 1735377.706 549489.5067 831662.6628 1671251.715 2422394.494 2393705.791 2700242.991 2660457.937 2195634.671 2308335.734 1771233.081 2015834.735 1186930.447 2004723.716 1-(10Z-Heptadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) 554006.9289 1351483.047 804466.3449 9930676.076 1450550.425 1202860.73 567147.0848 825112.6975 470355.2682 548394.5643 395928.2485 604807.8276 1363663.305 4203806.022 20284653.16 506198.8564 1010182.248 604493.583 11535930.66 2768537.942 5301092.381 2117897.368 1544401.904 3282584.241 4501774.66 6544614.248 7457576.643 4746263.75 3060844.379 3633240.949 41605.61195 27247.09476 29071.27028 30476.87404 40964.0732 36848.75915 36021.52945 56041.58524 14341.50384 44765.75036 35408.71661 56511.999 24272.51829 51858.98137 73955.63746 17577.97087 37138.15129 62230.40705 8094.889904 12369.9102 5944.942594 4860.327487 2869.812233 19710.60029 7010.396711 3508.828856 10469.35853 12871.54135 11370.06231 8057.4736 1-(linoleoyl)-sn-glycero-3-phosphoethanolamine 7541951.907 6521439.955 8463612.864 10022260.99 16219814.8 23351225.82 5575984.062 12966425.91 5181477.925 2527542.872 4213420.069 17562278.95 11799052.17 16506236.47 17095576.54 6033334.128 7358314.638 8388516.395 11535380.91 3545871.408 2022312.143 1645322.666 10462990.93 6813775.993 11808826.03 1624262.416 1394984.756 1888796.978 10202909.3 1637922.757 78337948.72 94040870.63 74035603.11 55877851.93 88850315.5 46470900.34 74973878.51 101931901.2 35495208.86 35950527.94 54351183.71 74426879.49 132679016 127916586.3 197647712.1 70036026.94 76381461.04 76664711.1 103005495.1 109296406.2 85512536.65 137243992.4 98186513.47 105713248.6 182423145.4 134077792.1 106252223.8 99709385.89 121474807.5 74957104.02 1,1'-Binaphthyl-8,8'-dicarboxylic acid 89297877.59 70205654.36 152532107.5 39153905.68 117438853.7 68444573.98 129147171.3 81264594.31 74276972.89 6552835.949 111311804.8 153317042.4 48459758.21 71543416.14 115408269.1 92461913.87 87268240.57 84986578.86 85742405.94 22441018.76 30730165.26 41392035.34 13024891.72 43362268.62 32986037.91 26555798.93 23181345.87 22830636.86 36596587.15 36218534.11 19759115.53 8450389.221 5439153.139 5028902.571 3925598.082 5028087.948 3109905.622 11278622.54 2421861.754 2934563.862 2603586.627 2813418.05 3814323.448 3391452.38 2370096.339 2398840.522 5781186.101 3891033.582 2506220.374 2894513.41 3506222.344 2904926.149 2175310.241 3105339.316 2050382.311 1478700.255 1755844.791 1724275.579 2135633.001 1408520.099 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) 248567087.6 40643065.45 271922630.5 75704425.37 123562820 135006716.1 196546485.9 269135563.3 179701128.1 43704112.01 303287132.8 181855689.2 61276208.88 147208723.3 35622908.53 185581759.8 197526960 191495315.1 189814539.6 38422807.31 36990358.72 119716419.1 69561959.54 120805576.2 42299064.43 15138066.11 19609895.86 21672087.01 27648310.46 12855630 2660201.591 2606860.592 2935873.339 1714633.105 2786308.322 3355737.57 3238404.829 3143304.804 2099593.564 2344644.466 1263657.341 3091601.946 1195774.103 1037582.771 1855092.243 1255859.302 1651124.368 1902476.379 1847293.226 787213.9488 96706.62356 533406.2886 535812.7039 1203152.389 1740239.084 377602.6815 834186.352 863122.1143 1543691.196 131783.771 1,2-Distearoyl-sn-glycero-3-phospho-L-serine 2410525.198 804700.1338 2272835.629 993772.4538 353029.3166 958885.8803 3613561.522 2317205.015 3726536.013 6945105.841 0 946788.6234 10688318.67 6051055.203 3962669.919 1835219.568 5335209.668 3327950.052 10097612.41 6575994.743 232032.0852 555171.7864 1089017.869 0 4947386.51 64200.20945 219297.4971 81697.44674 4388724.831 416733.885 864982.4527 56282.03843 124450.0409 122014.0653 55205.48998 58142.82787 127304.8874 192331.4959 555597.5222 71982.01695 219988.8457 74823.79383 2389628.234 843843.5345 4760699.792 1265877.828 59941.31081 196453.6396 5032297.312 4582079.821 7009666.174 6356601.862 4324853.432 4656527.307 1710840.822 4953853.941 765980.9394 1284207.917 2830059.644 2204069.349 1-[4-(Acetylamino)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid 1119226.517 812494.39 1313630.215 912866.8949 1197047.651 676907.7634 702631.0638 1098026.515 2407694.946 500102.2184 1144479.076 2962824.091 592117.4395 1128370.026 2238788.404 1269444.503 1014480.674 1580783.763 2952662.851 1130180.494 376049.3494 1180675.133 372020.4009 1091940.251 190923.6976 1823364.891 849253.0092 482885.9073 593186.0633 444649.7561 242796.71 244267.3953 77865.18367 35783.92477 320791.8011 55199.51635 94039.52675 100975.3268 71206.71716 65505.73528 141949.215 37887.76013 596842.5038 302742.955 461003.0524 366430.3776 330319.0466 386446.4738 328495.9252 446875.6905 515143.4875 446468.1585 475317.18 592496.0033 324944.8897 297327.4515 292253.0156 268629.8967 322391.5259 289122.0103 10-Hydroxy-2,4b,8-trimethyl-2-(2-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)dodecahydro-4a,10a-epoxyphenanthrene-8-carboxylic acid 2793017.432 8439123.838 859001.6884 2777133.282 169475382.8 20520225.92 6680535.28 2733305.572 1306633.568 223910.846 4217259.475 101438350 1332846.901 1135829.738 1171713.147 8104273.511 2037606.046 5116385.377 341437.1706 473215.4956 1551052.019 1076281.695 228528.5321 1068307.724 702330.6 518875.6945 138386.7817 865792.668 663923.1738 254941.8442 1391217.834 2512838.106 1110557.425 1030917.873 1872473.478 685616.7864 883576.3898 433020.357 491356.47 957863.085 1798982.828 1331629.161 893793.9152 881073.7711 759324.1687 224503.6702 381900.6643 1254395.907 863131.7231 1155676.455 1712574.2 918069.7334 555499.9478 878354.0729 968918.9296 954200.6952 743320.7435 1967050.847 784629.2198 566252.034 10-Hydroxydecanoic acid 6405035.719 1192039.515 3827707.652 4444336.056 4012381.207 8112567.168 7184075.436 3546292.49 3820698.174 802512.3673 9784301.567 9427494.999 6977548.47 3533700.715 8701605.369 4322102.088 9119663.7 5080760.496 10970145.63 1488301.48 1333579.829 2652565.175 1179307.199 1819593.359 8243132.81 1668453.768 1462496.352 2522840.742 2750673.42 3879395.455 8544795.346 13569281.08 17594521.96 12931153.83 7419419.102 13724063 9190370.478 18362367.83 11965753.13 5524219.91 4217643.688 17829272.59 22914395.17 9788197.075 10616370.9 11927828.98 10753647.47 12912346.95 13169174.42 8320260.016 8119975.6 10184088.6 25268812.57 10062761.79 18704580.89 4664734.989 18470226.64 13194144.34 14050540.35 27629977.48 11-Dehydrocorticosterone 4429644.832 4241489.442 3733410.237 4176833.652 4500026.5 5429911.491 3663784.732 3696317.618 3882657.688 3916866.227 3783529.067 11773055.24 3347511.744 5219206.883 3417040.848 3957286.876 3279011.123 4042189.359 3368145.242 4238189.557 4214145.268 4326713.572 4229393.773 3785877.657 4480278.634 4343283.119 4555301.867 17744081.81 2790204.782 4734857.13 379244790.1 128056607.7 215939862.6 99136935.36 144563097.1 710925152 77196086.42 211538764.8 115619733.2 125431500.1 95365710.37 173739309.5 63918805.75 295479533.4 147066949.3 508485347 272263303.6 118097672.8 136634755.5 170545153.6 169210976.7 173143709.7 47324526.49 67137266.7 214978466.8 49961007.23 149520087 146374971.5 137646137.2 199444808.5 1-20:3-2-18:3-phosphatidylserine 4374595.097 531836.2489 3651170.02 556261.6623 867036.1937 1245223.264 4776979.998 2187192.681 3787012.168 455251.6316 3952165.319 1973824.658 592888.3145 1902207.49 361189.1119 3838829.511 4868992.548 4708919.795 1552571.326 1012674.599 2023486.389 2205942.924 656313.2886 3088192.039 498047.8941 1089737.297 1815296.685 735950.0352 950667.0795 734575.5653 1613772.327 1942941.904 1454014.74 1894615.935 1478176.956 2127984.965 3006176.878 2549612.178 602839.3455 2524196.995 1797282.089 1906378.534 3033652.869 5406616.036 6949113.824 1673615.353 3364255.222 1750289.554 898673.5239 2687152.584 1209037.187 949496.9028 1635006.254 1544800.291 2129359.941 1452398.774 1565888.12 1681047.423 2184986.162 1636815.997 1-22:0-2-18:1-phosphatidylserine 2219039.369 665244.8713 1971971.634 452908.6366 1939101.241 1989549.022 2068884.842 2003755.474 2010835.144 436982.4559 9479192.818 1934660.149 1354754.086 1646786.252 1763659.714 2916371.597 2183325.744 1722167.874 1553396.719 302894.8021 889772.2148 1049949.668 504479.7644 2752183.268 1503770.702 1352631.543 1238699.146 2047833.916 1230992.194 1728092.993 10172692.54 10989715.01 26345308.9 18421138.3 9563386.875 26265087.75 23779702.05 18830559.54 18369514.69 20358868.7 22776432.92 11016322.72 4534237.276 6998851.361 8599461.69 9322943.953 12994434.46 23100591.7 5549237.058 6385691.578 4279767.301 4117002.64 4778343.683 7087977.415 4811211.733 3812101.002 6096170.377 4674110.465 5007015.463 5093704.564 1-22:1-2-18:3-phosphatidylserine 5085162.848 1362748.135 7457603 581064.6475 3546733.305 2892624.052 8823319.089 3396287.896 5476482.279 917120.1514 11616764 5986052.21 1550446.622 2429402.551 1439762.072 6728673.317 7900421.399 8171999.437 4680655.178 3489849.605 7143183.271 7233126.007 2380310.928 8491690.788 2264631.944 1057466.833 10549635.82 1894307.39 7330926.519 2643988.622 2184171.129 4230678.126 5630709.66 7019348.936 3693225.861 10494394.07 8573748.423 6469056.197 7204413.67 7243888.344 6019633.868 10643377.85 1854576.974 3137137.062 3540237.846 4831844.181 7807114.678 7704308.656 2195375.609 2568048.43 1871224.12 2056707.599 2796681.507 2507250 2021127.912 1227166.958 2435701.424 1692798.836 1744073.643 2206358.283 12-Hydroxystearic acid 8421025.038 6772581.751 27218716.95 9414106.567 10182076.38 10171605.35 13520612.07 18202949.58 9536583.659 2927501.618 9568261.182 13525676.84 16946354.34 14455193.23 55250441.55 25614163.3 7309547.639 9683855.302 41947170.7 14127882.84 18726785.68 70758944.55 14618266.81 36131537.98 50007091.69 33620802.1 113406168.9 54654063.03 18718438.27 41102312.33 22453685.25 20199969.66 13078800.79 13354726.65 20006423.52 16936797.1 25078694.75 20477481.86 18331474.74 13862632.31 13309470.31 17501560.12 21710094.8 23496941.48 36165867.78 19601640.86 19405737.39 16244156.14 60829916.71 24275032.69 51691621.74 56046656.25 19845550.37 38501519.08 29248274.34 29753058.55 28461332.06 25309515.23 31342911.15 24018456.67 12-Methyltridecanoic acid 47841558.28 34829037.6 60315255.09 30365870.37 69691300.83 76460255.69 52791382.13 62215120.51 88095016.23 35738268.64 101240948.5 44121150.37 79056187.24 245880752.2 104850678.9 50171199.66 57179510.31 67856525.66 119292490.7 72653047.48 85445994.25 179757501.8 72649659.76 232253331.1 362392474.8 230720640.2 193088983.2 192830292.3 137092553.9 210081260.1 156219301.6 133265207 153917537.1 140416302 159758042.4 151262058 146537956.1 170183335.2 201679607.4 97506519.61 79620437.7 177120986.7 170120632.6 146270253.7 185903024.2 151982905.5 131465251 126933868.1 183448210.9 123950778.2 144195974 167162455 249101754.3 328940403.8 292157616.2 210626079.5 249616224.3 75073680.9 200585348 338402473.2 13-(Dodecan-2-yl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone 4994099.999 1191494.11 2988442.421 1675759.683 2729322.923 2319591.613 4418791.057 6923567.383 3439606.75 1561359.201 3943080.075 4010903.67 3655177.811 17685842.82 6139759.008 2398589.245 2766446.297 3292952.107 19073901.59 14277817.44 35735164.29 72516426 37961362.7 35483415.46 34532572.89 103190296.8 125294772.4 123280750.6 38267314.29 108888654.4 10290421.56 8527953.553 7728853.949 6727736.762 7766442.238 8849555.641 8033283.483 9719797.418 8502827.401 9031656.425 8288380.895 6233812.602 9979793.635 9232289.137 11190135.33 9013254.769 8597878.434 10342897.23 10860587 11272244.6 10840585.62 9996505.111 8346773.566 9232265.444 13449466.84 12837483.24 14790257.49 13714227.55 14512497.12 12168052.89 13(S)-HODE 99438698.6 63532768.51 85272735.42 67833037.29 93615851.64 152291686.6 71680452.52 123542237.3 78213683.55 14810326.28 103896216.5 109844358.6 27222537.79 71332286.99 68621232.67 94293779.19 64178263.55 64004193.39 98676682.1 42575889.22 139252961.7 99745021.8 58393407.05 96556229.56 87210682.74 62553996.85 47360455.92 43749406.83 124330186.4 40122826.09 95614415.17 65163837.86 44535832.11 34073481.11 77494814.4 34474097.36 47467442.15 50640844.51 41981068.75 19737983.9 36497155.89 42774797.41 135239508.4 267674203.3 222506358.3 68542873.83 72906112.54 56035006.23 43181896.29 143865746 62832488.41 81999215.1 61910684.66 70455348.8 52163167.6 43410547.27 55792332.97 40220410.43 62894753.83 49800656.23 16-Hydroxypalmitic acid 12599222.53 11868253.32 15421705.3 16525763.53 18736877.26 12997763.13 15660692.87 15782673.32 12020692.54 8163880.738 21875657.66 12685032.12 34245730.53 44916468.46 52263271.29 17217206.76 15785060.14 16252051.13 34461182.09 19728382.18 35379109.06 49377439.65 17758192.36 53826562.64 43654211.4 50245266.58 55555410.89 40344169.89 25572249.82 42589283.09 54675426.87 50668940.43 34296096.94 29622496.54 50661365.95 40601268.87 36094593.56 36625958.57 32570471.77 25797020.56 29061989.61 37492257.45 54228424.65 58900576.53 79712296.04 40053027.8 41398809.02 31884770.94 61154278.91 53692552.51 62121248.65 61116818.94 54448011.29 59459197.66 70353608.76 56684766.95 52250568.14 47780188.4 70594344.16 47923710.26 17.beta.-Estradiol 3-.beta.-D-glucuronide 926550.0729 863147.3043 1874303.27 953374.7194 19650802.55 1053646.267 2329041.524 1219118.693 566620.3095 37355.11693 516231.5713 7915009.333 22965.29332 0 102061.9264 468367.6464 728580.3421 560211.9963 385683.3215 52168.64814 138173.735 117350.4942 99357.49305 42947.54524 429508.1879 372452.7856 234339.4682 494500.1389 309952.9788 547514.0002 7031717.734 6483607.582 2113382.543 1752228.902 5856677.124 4136704.958 223621.2845 6856441.522 1258854.597 2002028.756 1552678.545 4858672.978 581807.5224 167131.9364 1024512.492 851916.47 2778367.856 1152978.397 461757.851 949064.2994 1115700.593 1618402.576 1523366.356 925908.9692 1822513.334 1920941.453 2090245.025 1709309.925 890978.1817 1509655.748 17-Acetoxygrindelic acid 1290530.382 1678433.229 1116870.885 1550922.731 1501362.619 1023244.038 1251077.865 3113224.131 1345102.996 335801.4747 986901.4962 3277295.817 365081.7232 1655362.945 1492887.366 1400163.986 1098532.915 1545995.053 1922035.881 791282.7424 3170244.754 4269934.543 1151152.659 2827176.521 4566564.601 4931195.242 6674017.723 6033333.111 2135135.969 4108552.876 2761863.871 1735494.636 5732104.944 4173642.05 2163582.409 1743638.713 3013189.9 3815734.626 3501640.152 1821868.103 3076535.67 2789812.849 5591568.618 8767233.701 6234053.896 1765518.433 4894001.659 6422817.213 504624.7392 12695428.3 2199674.195 2201717.998 8239999.315 1593696.974 644601.5486 823792.6596 2063078.489 1396435.81 1775155.898 1363051.742 19-O-Acetylchaetoglobosin D 491135.9449 23430.41824 333927.4804 139308.4816 314959.105 401230.0832 356028.0373 522323.833 676111.2655 24800.84017 637921.6052 308727.8386 459139.5542 987726.5864 653373.1073 147982.2413 550078.3208 510211.2797 942664.5203 275363.929 627232.7769 998683.7018 101713.5279 506037.7575 1284517.379 1986033.472 3723180.597 2235133.42 2198871.502 2813754.608 118346.3858 79138.53743 82629.3103 60471.72906 88397.59503 81293.69046 100596.7364 132556.9526 69802.0933 45394.90521 66594.51641 59396.90574 389799.6375 591724.6147 1087142.454 149934.1032 204061.1611 112480.636 81311.90072 218095.1403 112041.9493 122866.4882 126777.9919 65751.88611 89048.8869 142409.3543 176343.683 50703.15141 146537.2665 120636.1056 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (5R)- 978192.9365 395815.1492 840228.8548 462621.4267 1031972.216 868707.0806 620326.1181 890986.7851 887069.8747 242001.1748 1231473.31 929226.3875 848772.8429 1047240.775 1001285.961 432918.6556 1500874.221 1015511.671 943146.6013 213627.587 170809.2946 422353.0554 306305.7158 103710.5144 184919.5061 628330.8117 662333.8502 357200.5653 728641.0372 309898.8205 1175410.225 1263883.862 727401.9281 747873.431 1088382.148 838936.6508 925360.6042 660196.3848 968413.3575 838732.9575 1047692.2 703546.6292 1509885.885 1170781.502 1599619.434 1114597.477 1043134.417 1300369.464 828556.5004 1522269.319 1200817.933 1249221.037 1037184.556 768493.9714 1300808.845 1081344.663 1232167.232 2050840.953 1372570.476 1047736.393 1-Hydroxy-2-naphthoic acid 390176279.8 99255346.87 569448311.4 136524859.5 439840178.6 546210654 323123611.4 508990367.8 524406625.1 79506139.17 260541068.5 420347605.4 517757506.9 438246366.7 434550710 206116478.9 621272032 233924918.7 216843953.3 146815869.2 79792676.85 241194907.9 72484591.76 129696142.8 212373158.1 582879231.2 534046401.3 466140918.6 550471419.5 428652787.6 823899758.9 944546094.4 901025446.2 942906028 768208787.2 837455474.6 891672805.6 895568372.1 613577014.1 784210114 1064081361 758732134.1 1026341513 1030891482 903341240.6 771067761.5 906255418.9 710034220.1 659024009.4 759067109.3 582899033.1 769578311.4 671360369.5 586869771.3 601462612.7 929661111.6 867084447.2 842925453.1 631751926 641801826.2 1-linoleoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 8572674.773 6954448.5 8500336.42 13971275.48 16137906.88 17399549.41 10905255.73 13421889.48 5870314.152 2936531.846 5418765 18840939.41 9591024.627 10655220.74 10933939.77 4519756.926 9447126.321 8301065.796 12306909.74 4107464.027 1956283.799 1104505.447 2096968.001 1126464.555 4796539.239 1634413.776 1656222.456 1326117.2 5518850.377 1399597.06 20494874.84 21887452.42 18865807.31 19079155.89 20898200.38 26227084.72 29711778.57 65200657.24 15273383.8 10152412.07 7401461.096 18447508.89 34333587.56 12744446.98 46482296.83 21005540.3 23672295.7 13203148.76 13323513.67 13995409.04 13558292.05 6498252.666 17225739.75 15631110.92 56632912.1 19541125.49 16704131.6 12754031.96 18336760.39 13576185.39 1-Oleoyl-sn-glycerol 3-phosphate 530842.2892 52151.81386 579096.6786 90800.91602 95847.04399 151889.2179 343486.3222 185198.6219 260485.8558 37318.21564 89915.71449 114323.9171 554852.8619 581412.1651 944506.1019 313879.4598 471446.3792 388044.3674 1278448.436 45790.13656 64889.73618 221459.1451 66308.47831 101453.2365 235805.32 374994.1971 366828.0209 47119.73295 702362.6112 44126.02662 2659107.296 6062009.559 7950465.121 10236981.12 5247434.955 8542011.115 9271393.994 2492476.798 8407024.182 5566546.688 1129553.832 19767632.64 2085513.124 1818254.96 2513058.03 16329641.31 3978734.584 3938044.316 3750462.627 2983766.885 5460892.558 1966736.348 3727564.092 3671873.068 3784595.837 2657774.808 4134009.194 2200261.583 2145478.474 4288771.563 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 2498719.313 542867.5244 2532723.779 353238.4981 1194988.607 852421.0524 3227490.915 1472684.276 2762794.786 505684.3832 3625357.167 1599005.078 444364.9638 1449327.043 176808.0499 2882541.432 3042681.313 3187170.454 1183526.427 978733.1449 1274051.97 1546166.978 506306.2232 3451716.453 371310.1937 0 508811.275 156304.6383 810802.6175 211823.7228 2382340.991 2956804.855 2950547.27 2118260.076 2040532.951 4561817.414 3590164.671 5195070.761 2617635.675 3738762.487 2594037.13 3187265.203 4427459.393 4331818.357 7680563.256 2392880.698 4295421.138 2818742.414 2204052.6 4335510.609 1700086.97 1877675.754 1556072.673 2543527.293 2639752.713 2448257.104 302189.9539 2824202.156 2370348.601 2141271.813 1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) 5695830.472 4310662.804 9296687.501 4503800.238 41251638.34 42554034.67 4415823.746 39648503.04 6956732.897 3759483.434 8028370.165 47464931.81 2770220.062 18434348.04 55781771.44 6163657.745 22626954.65 16780666.4 70851788.98 3613064.439 4059058.619 2102343.784 968535.1831 3852344.092 5018476.275 9167544.522 9043542.096 566606.5787 51047640.15 13126029.06 4751362.557 5491950.676 5897203.892 11494599.81 3104666.825 5322274.393 4307602.352 4046003.385 4361722.779 4134780.886 2319725.851 9564593.348 3709943.19 3821501.571 2565120.423 3180842.671 4819130.428 3402111.255 2732816.471 2947078.62 2840035.789 2196279.291 2623751.817 3030724.723 4092835.053 4027967.494 3452721.29 2290024.092 4744013.655 2030998.943 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol) 87321776.49 52669746.62 152844555.5 27482605.95 76159688.94 55817093.86 161379341.7 98553562.99 153409036 48424033 238799485.7 146141998.2 41774928.27 89895239.09 46920371.99 125901407.3 137219802.9 161397628.5 104663690.5 70394769.14 114834637.3 156153592.8 64669764.88 249620063.5 67586589.48 40272426.04 157001867.7 51387593.06 161709495.7 68486159.27 4150839329 4516591266 4193106245 5471187384 4362571909 3814380179 3368175605 1771323595 4152994970 5244819183 4600184006 3042461550 3528340548 3395694182 2918560518 4578426303 5112159437 4625409383 4464099656 4196494669 4066782974 3852126780 4102159531 5124318960 4295097091 4200050059 4243416579 4020936147 4091271802 3597907569 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 59275934.3 16035244.82 74381119.32 21589088.44 26600444.35 16774672.52 55846322.23 64004860.22 49459805.96 14963913.45 56952772.43 58355911.64 25110271.79 50625775.02 14062071.04 47725137.26 54384615.68 65568598.19 60492192.73 20087374.83 17969977.24 45992535.64 22192889.38 47634702.37 21772078.88 9585079.985 14155807.07 11917699.2 13553444.09 7370961.819 985538.1983 1064367.938 1338619.087 1421234.071 898686.8944 3892124.512 1649111.772 2817117.806 2346810.34 1254651.935 846943.0485 1961994.498 980472.0989 789578.5078 1502339.585 1551016.865 1767212.452 1279114.043 938215.3801 1026499.616 676832.3527 1055518.52 688991.1501 1046317.848 777882.6762 634891.4665 685924.7393 643452.9205 641440.5181 490779.7461 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 33058351.03 8240127.966 42277584.57 4832060.281 16515624.26 12991796.54 48401168.99 22938270.24 41887940.93 5493983.604 55460461.04 38661536.73 9862420.074 17102191.67 7528910.226 44516116 45169958.84 50018418.37 20497895.97 13864021.48 20456646.56 23890169.46 7655661.578 29844372.55 8061754.23 4124799.384 16501995.35 5841128.155 22991336.81 7535530.627 8003959.315 7443090.809 2359728.831 2685311.283 8464508.026 2073984.417 2987193.869 2162748.132 1766735.608 3538989.002 5112086.13 2261074.479 9245442.888 14848155 12335214.39 3849857.449 6662980.808 4582396.404 3197849.712 12352047.45 4813768.613 3696603.981 5342626.203 4654967.23 5535303.539 3473077.857 5015238.172 11738004.62 5605969.496 3763979.212 2-(2,6-Dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxybenzoic acid 5908002.885 2241199.572 5295056.242 2309819.396 6373117.881 7134021.986 5182607.703 6341709.095 5093945.127 1223768.477 5221327.066 5227525.433 4234567.337 3871508.837 4325912.363 4937262.258 5157870.459 5772440.661 3676672.802 1966276.204 5190257.494 10157730.33 2866314.713 3660081.437 501881.5889 24174505.85 27977183.7 21985918.37 2143801.825 16120695.38 544340.7494 732717.7132 390047.2351 702329.0612 695401.645 533278.3902 462247.3989 982360.2845 882289.7393 539014.0596 399821.0385 848486.2114 411158.8866 311735.7546 366394.6846 434676.874 688779.1046 497490.0414 361754.6185 430447.7579 344992.2185 314614.2144 533141.8956 311016.9139 366458.6228 559511.2354 386166.0908 530719.2024 251271.5784 234746.9816 2-(3,4,5-Trimethoxyphenyl)-1H-benzimidazole 16016949.42 1370791.472 10907868.16 1448234.188 6487584.474 7733668.122 4689543.126 16874670.04 6770194.084 1857436.721 7299302.725 11827142.5 4193788.76 4623947.518 2465497.861 2378214.028 3013578.375 7090932.857 23499019.14 3296417.268 1389628.306 1682024.538 1593425.928 527257.6898 1082893.045 6508656.209 12589914.13 5386596.404 13502226.35 5548998.055 2638142.387 3259801.829 4401527.239 3176742.456 1316590.735 10660927.23 10842934.38 4769685.077 8359140.713 4602607.377 3806156.17 3006389.056 1249415.206 2460717.383 1731142.973 4734534.164 4731666.082 3662880.138 2245981.023 2123827.843 3171841.161 2911395.202 3952705 1577715.067 2931759.011 3008626.336 2493919.681 2550298.55 1166529.581 4132065.585 2-(4-Morpholinylcarbonyl)-1-naphthol 1181947.415 411207.4486 915668.3627 617250.1959 2665632.22 3723411.38 661858.634 690758.7693 455261.1812 153066.6181 772720.1403 592532.8602 722131.2685 552992.1542 395369.3724 1269677.162 475708.688 487536.2097 426051.0047 433589.2763 1043027.155 1299307.514 655805.6652 808829.7783 1069867.115 2182147.312 2021612.364 1849126.815 1039013.273 1629200.94 1066640.161 963776.3007 1045044.808 90891.85242 1089810.334 1056457.425 58602.28029 729707.8949 34891.31846 948516.702 1594958.712 705432.1741 2473894.071 2354796.202 2238350.327 1672555.139 1428671.688 1197623.703 1166655.542 2239799.835 1984777.385 1985746.425 1806703.624 985914.3037 1115528.512 1303599.059 1928203.285 1851824.434 1958268.056 1611208.285 2-(Butan-2-yl)-5a-hydroxy-4-(4-oxoquinazolin-3(4H)-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione 2448802.573 444559.811 2076267.165 3178410.492 56528506.98 12596256.71 7294085.617 12000413.29 976179.2816 241900.7736 2201443.007 9939311.475 1032827.421 1078763.717 1043570.813 3335266.875 2406081.219 1593271.622 203974.507 683726.7356 3412044.115 4719632.413 699590.3768 691907.3864 1190660.605 1745913.143 1804537.109 1722120.881 1148923.523 1154886.213 35972643.49 14166383.33 2016183.182 10055800.53 18621368.11 16060561.42 4887461.258 46817744.42 10521952.83 5543304.677 4978289.177 15767745.42 2203925.827 245676.8004 170391.3426 5905461.09 8331424.584 2889712.823 4473954.46 3433385.048 10076095 8292655.51 8798918.544 5573925.592 5589700.962 7389884.799 10414596.43 4451072.016 4758150.471 8389826.384 2-(Hexopyranosyloxy)-3-hydroxypropyl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate 6670124.574 5001139.556 8522666.414 4519904.575 12682987.59 12014348.15 8156808.125 9978461.665 12544230.41 6722737.756 11755003.59 12717216.44 6256937.276 16894635.95 11048521.45 7937807.796 7261357.124 10602650.15 13221758.6 7892581.998 5456636.113 5158766.301 2671781.891 26114481.65 9701922.817 2724651.746 4735872.391 7255796.177 7945673.611 3936524.695 1367501.911 2625616.18 653925.5392 1233993.165 1732413.764 1954392.276 598787.6299 1918656.451 3124914.41 245662.5245 198632.5364 5674353.078 806335.3971 353092.1999 953338.1585 984950.3808 157887.3473 307821.5111 463071.6126 1101150.538 133288.1194 1411546.666 1166771.432 361519.7895 305057.8569 238915.8909 0 1271519.527 0 439185.2224 2-(Hydroxymethyl)-6-methylpyridin-3-ol 810859.4345 670045.127 1189711.389 716158.0403 2092058.04 1017627.189 1299459.721 1008135.255 1911966.273 744144.5666 2078142.103 1566133.401 605145.6446 1646003.294 844506.544 2034300.369 966752.4312 1190548.24 1138144.864 688387.044 1072720.194 550799.5367 127166.6762 1668700.966 1313204.682 350970.1584 813657.6737 370612.688 643664.2054 400231.7506 2121284.678 1387386.855 558734.4977 846191.2988 2189857.515 695204.8313 740552.9987 1183019.16 807087.8343 1298296.672 1035935.407 1540996.607 385395.27 1400401.547 493076.0115 524941.4269 912629.968 696991.3219 272929.346 468258.3759 200243.2591 245305.1884 418138.2234 392466.463 477748.4265 594654.5968 414487.734 663420.3124 521960.4537 291371.0155 2,2-Dimethylsuccinic acid 2207787.615 582943.8506 2143288.599 884929.3526 2250667.366 2750110.426 2697986.724 2418896.079 2720284.517 456414.4567 2592202.129 3516263.527 1465998.355 2339218.779 2341773.239 1411112.01 2428523.18 2210830.726 2588576.47 732525.2762 869096.0329 764928.1724 421576.0205 897719.6264 1198087.775 1478247.457 1784129.563 1732082.68 1620879.539 1620411.197 5463981.955 3766329.602 3809432.689 3254636.082 4613036.999 3899732.816 3164847.597 2462809.548 3285484.382 4215304.351 5839205.186 3184281.583 6447036.42 5437607.791 5673160.335 3103462.036 4758604.042 3888838.963 4550144.991 4998064.603 4806858.864 4918075.546 3909409.828 4279523.41 3885317.406 5177623.897 5178316.509 4696625.355 5519434.849 4716972.275 2,3-Dihydroxybenzoic acid (Pyrocatechuic acid) 980329.958 465826.2882 2346034.557 549515.9056 571003.0015 592558.7796 909866.6702 937975.7116 2997197.218 489545.9117 664033.0548 705493.1066 6463200.834 7853282.926 29106521.58 1062869.368 1216320.826 1163529.65 17326986.12 984029.8064 2118584.197 4176060.271 547759.8177 2382917.04 1450228.415 4178301.114 1485347.341 1322564.192 2360318.603 1951741.586 9901574.25 9966248.462 3067878.352 1073965.626 8905064.305 0 1647350.222 0 431668.4847 2285727.191 3046916.839 158138.2377 16357571.97 28468324.01 27141857.19 6637123.313 5801949.86 2156126.298 4596791.72 11390614.87 8993230.015 7725897.396 5869161.979 5759397.227 14538011.62 14566828.17 12142370.78 15343306.12 17829018.3 8256861.646 2,4-Dihydroxybenzoic acid 603671.9184 497138.2698 3150318.187 151972.6566 1049904.503 971842.5561 1608254.156 1303452.537 1877057.243 523243.319 531812.0141 897600.8964 2694164.421 3020011.814 23926443.06 599553.691 1005549.773 456616.9153 25078830.32 311957.3919 445382.8449 1766317.209 481665.452 3086636.917 1051281.697 3532693.27 619562.9427 1268545.54 4107394.903 1564445.665 9901574.25 9966248.462 3067878.352 1073965.626 8905064.305 0 1647350.222 0 431668.4847 2285727.191 3046916.839 158138.2377 16357571.97 28468324.01 27141857.19 6637123.313 5801949.86 2156126.298 4596791.72 11390614.87 8993230.015 7725897.396 5869161.979 5759397.227 14538011.62 14566828.17 12142370.78 15343306.12 17829018.3 8256861.646 2,4-Dihydroxybutanoic acid 7213344.707 1430277.855 8048017.779 1879982.017 12506719.07 5874731.128 5864836.632 7956654.632 7566335.023 969407.6525 4726917.903 5328587.795 3908748.79 6944019.156 12514574.69 6118407.069 7030693.626 7398603.562 9152377.89 1314362.075 1265962.551 1899780.057 1101433.266 1633534.283 2427890.672 5118086.294 17124775.93 4046456.508 5220184.513 4416414.62 4508013.315 2895080.017 2847221.435 3784241.81 2663546.874 3961348.5 1659019.847 6407260.596 1205999.934 1573402.757 2147204.132 3587771.074 1303450.055 1316494.53 1253067.573 1372204.772 3799297.177 2046479.203 859146.8678 1070664.497 953724.8777 978156.7927 1048801.982 932918.2234 921512.2212 884264.8892 988674.3594 975411.1794 901443.8402 898710.8661 2,6-Dihydroxybenzoic acid 980329.958 465826.2882 2346034.557 549515.9056 571003.0015 592558.7796 909866.6702 937975.7116 2997197.218 489545.9117 664033.0548 705493.1066 6463200.834 7853282.926 29106521.58 1062869.368 1216320.826 1163529.65 17326986.12 984029.8064 2118584.197 4176060.271 547759.8177 2382917.04 1450228.415 4178301.114 1485347.341 1322564.192 2360318.603 1951741.586 9901574.25 9966248.462 3067878.352 1073965.626 8905064.305 0 1647350.222 0 431668.4847 2285727.191 3046916.839 158138.2377 16357571.97 28468324.01 27141857.19 6637123.313 5801949.86 2156126.298 4596791.72 11390614.87 8993230.015 7725897.396 5869161.979 5759397.227 14538011.62 14566828.17 12142370.78 15343306.12 17829018.3 8256861.646 2,6-Dimethyl-4-hydroxybenzaldehyde 5832402.921 53613793.78 26846459.44 54596683.94 3271639.58 14533261.96 25087752.28 26131463.76 24309672.54 10201583.7 9129834.276 25264617.54 29201299.84 12856944.81 181263600.5 11459333.33 63689946.06 31601399.29 82257769.61 13145568.3 6211107.46 11739608.44 4874263.833 32849773.16 9442946.06 35078699.42 18724185.68 7677337.258 15558019.7 17367174.39 29071997.69 37211646.12 27940045.59 25876957.57 26571179.43 30880895.81 17957975.88 20449414.02 17069423.35 23175795.83 41316985.74 18136526.71 20986917.32 35942735.44 9945314.695 23751001.98 28191831.62 18124656.02 9529425.086 17608964.16 13908576.94 8431985.819 12239123.38 6717908.32 12808790.39 21812861.71 17683463.13 20304657.45 18576723.98 22522649.35 2-[(2-Fluorophenyl)amino]acetohydrazide 3744610.191 853706.6033 3652884.765 954231.6269 3804489.925 3838514.82 3185666.275 3447655.049 3648610.047 732739.0516 3468395.197 3702786.455 2328238.352 3528354.572 3638709.381 2974848.712 3591763.885 3656400.211 3303990.491 1143238.201 1529248.011 1290775.271 792992.5033 1636828.509 2691691.797 3693966.846 4213420.918 3639988.413 3569114.915 4136696.738 3155243.554 3189334.725 3603549.607 3629726.463 4119666.464 3401905.479 3916846.872 2798121.562 3431086.365 3872964.657 3468093.99 2962428.278 3131688.888 3271252.932 3303552.571 3062253.485 3335375.218 3561946.211 4299212.064 3385760.37 4171792.982 3256174.247 3644699.26 3756663.399 3197919.521 3319830.595 3344027.32 3585722.03 3739288.024 3616175.726 2-[(2R,3S,7R,8R,8aS)-2,3,4'-Trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-3-methylpentanoic acid 194580009.7 57874443.87 45578124.1 174993815.8 5064600817 2314793335 359103052.3 166381674.5 205993425.3 29258558.84 433000969.6 693366157.2 46320721.92 102413870.7 66361194.25 590775737.9 129043060 461937691.9 21209321.96 67662534.77 74031013.7 200205793.4 31505556.36 181150581.5 71989042.73 17925735.24 33199432.38 58852392.84 26677750.9 46575524.99 47058102.33 57421389.51 53755987.17 30289385.1 68553539.58 4432257.972 16712961.49 20239286.13 3375936.3 25537175.41 28028654.63 4916886.911 46882297.64 57833794.77 27142360.38 9509354.74 13023447.04 55650718.76 27904122.39 116860121 57477766.82 20106195.75 20020514.86 31480077.79 20341713.18 53820655.62 28082439.38 41594631.37 16472760.16 38144932.33 2-[Bis(5-methyl-2-furyl)methyl]-6-bromo-4-nitrophenol 1358412.881 5408788.554 1787757.717 5342755.5 1502358.784 2390933.673 1524145.088 1137701.748 1324120.217 4851754.577 1435639.853 1581869.332 3392742.437 1455151.529 3172342.312 4673253.462 3655927.433 1580023.479 1383975.314 3197375.965 4680256.16 2344272.6 5621092.459 3305919.411 1853939.196 1541457.598 1498623.337 1863657.163 880926.4786 1598802.859 3727914.892 3252358.659 4009828.55 2169109.852 1849297.708 2721589.209 3763569.991 2478838.163 3141839.852 3825683.983 1980846.954 1985856.976 2748178.017 2331459.709 4012594.341 3141037.787 1893425.99 1781067.739 2253773.005 1930003.103 1613706.622 3819268.727 1882897.554 2502904.488 1797065.093 3060893.835 2483605.421 1813844.278 1824752.172 4330756.538 2-amino-3-({[3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid 85214510.76 19977211.08 63929553.58 21881659.44 44684973.32 54139385.98 65033933.66 57003782.64 69186182.53 20005081.29 85907429.21 39978232.78 42891288.53 59751808.26 44829946.74 54436962.55 65377711.58 51306523.61 45636085.37 27955065.76 30475967.82 38465725.74 34061143.77 74548275.26 31744062.78 32130848.99 36173428.88 37175482.34 52555912.67 26785029.51 65951548.66 167732658.7 159490560.1 173133352.5 84195653.16 356203031.4 415231275.8 82804544.18 108966321.5 100840571.1 40715575.69 755527699.7 47848741.47 41820418.9 92480726.39 76804066.66 102211563.6 231152369.3 50387709.43 28713906.76 23056998.6 36421871.97 16310716.32 56193210.23 45542355.58 17869175 21036931.74 21481992.37 16345924.36 11669579.69 2-amino-3-({hydroxy[2-(icosanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid 16642213.24 10758289.19 17395646.8 11137503.96 21519788.02 35331911.17 15911497.06 19012040.56 26995171.67 1744575.551 22804018.35 22272238.46 17138225.89 22389760.08 22613197.86 20132705.41 27425170.78 18416779.65 17600119.73 11293913.22 12704293.61 5640829.834 8754769.95 29685651.2 11497166.56 3069892.121 2203182.018 2439222.741 11293318.1 2892765.717 1131939177 1216551879 1207786141 1191676211 1104883129 1291168513 1285440444 1254799434 1418687036 1105416858 947612508.9 1253223139 1210198916 1099527854 1260314389 1301564841 1162566873 1070287707 1133257969 1082714006 987217751.7 1070716765 921651731.7 1157851781 1322424096 1250072421 1222298091 1138522991 1311631696 1027270902 2-Amino-3-(1H-pyrazol-1-yl)propanoic acid 3842693.127 2469778.97 4476773.803 2936395.563 5356505.926 5588395.915 3721105.991 12573943.31 3916120.235 5184936.268 3277290.125 11965021.17 7294939.733 12625930.71 9426191.565 3039190.915 11916309.27 4487182.338 8665014.403 2421350.69 3357475.016 5013792.14 6712700.846 1545664.35 4253961.541 8916855.038 7369623.244 3226008.436 2941552.071 2633241.477 3263252.337 2992767.375 7285229.673 14269212.44 14639552.94 15673470.8 7557994.785 2987128.104 5261963.23 12113192.67 5893526.759 14673535.03 6170753.887 14977250.5 6123342.069 8014080.029 3443844.254 13291340.54 10936137.58 5217751.196 13376404.29 14103582.59 7914269.707 9808484.08 2515766.603 12731031.48 3183101.894 17308102.53 10509803.66 11260730.35 2-Amino-5,5,5-trifluoropentanoic acid 32158790.98 1376391.145 26861546.32 1975863.441 23190661.51 20702881.14 16750242.36 22458909.07 24702685.05 859963.5686 19647819.27 18532658.93 7403460.581 17468372.32 13534530.31 9226878.323 19948315.14 20370582.99 32059905.06 2197277.036 2054557.383 5088224.248 2200585.35 3380721.12 10648190.91 27499171.85 39444925.82 25791757.16 37061790.17 34612686.27 21076795.63 19825146.42 9368534.562 8365696.779 16631070.35 12978010 11022859.83 20254847.84 9909890.856 13086793.4 20438195.56 8064156.816 26351233.19 24940662.03 22810961.91 10637485.38 18120318.12 13407760.23 12216567.38 32423204.48 16102866.65 18471092.86 15893884.52 12993461.81 19004308.04 18848680.99 13310519.93 33862958.11 17884398.62 12006067.92 2-Amino-6-phosphonohexanoic acid 152724.5832 772133.7298 411753.0113 695691.719 179416.8917 223329.5654 268953.631 624787.4996 494114.2753 1340374.128 259309.5197 216019.6955 642180.9473 757643.8699 827972.0937 320285.574 169227.7987 245190.7764 658919.8783 2059178.133 4589176.488 5016968.306 3859056.621 3392054.98 2823394.345 2995705.943 2603746.37 3228985.065 1598833.334 2968339.973 1067106.846 875266.369 1231927.326 958375.8173 1068318.526 1007518.085 1174223.215 646695.2694 1332127.961 1014264.713 1508798.029 699487.2444 2384125.337 2237478.01 2286293.063 1763422.306 1450032.703 1216307.306 1086916.26 2110009.519 2203403.663 1965646.107 1832242.826 1074427.362 1123739.342 1307400.995 2099203.029 1764509.168 1912835.743 1724708.498 2-Aminobutyric acid 6779700.522 854455.131 5837071.834 1578380.272 1730256.495 9101693.723 1776448.193 2762187.699 2963391.067 491974.0753 1851653.811 3796240.345 1541538.607 1597460.545 1689302.585 1714801.329 3697272.699 2850777.179 3914030.662 724854.0878 967019.5262 1491745.209 672195.9214 831036.5619 1119396.874 2151240.581 2111493.241 1783815.429 2442032.175 1257279.256 977713.86 529604.8816 705362.7715 395717.3415 521348.5959 549182.0005 422898.2873 4424554.118 469914.2653 429623.1507 621344.8235 630095.7145 540769.2616 500523.7711 580607.7644 228572.8641 310373.4242 523471.1125 465200.8167 557554.2998 453245.4987 643078.293 396398.4318 421676.6676 409719.6365 301197.1446 334005.3844 531354.5231 466052.2303 339263.8611 2-Aminoisobutyric acid 6779700.522 854455.131 5837071.834 1578380.272 1730256.495 9101693.723 1776448.193 2762187.699 2963391.067 491974.0753 1851653.811 3796240.345 1541538.607 1597460.545 1689302.585 1714801.329 3697272.699 2850777.179 3914030.662 724854.0878 967019.5262 1491745.209 672195.9214 831036.5619 1119396.874 2151240.581 2111493.241 1783815.429 2442032.175 1257279.256 977713.86 529604.8816 705362.7715 395717.3415 521348.5959 549182.0005 422898.2873 4424554.118 469914.2653 429623.1507 621344.8235 630095.7145 540769.2616 500523.7711 580607.7644 228572.8641 310373.4242 523471.1125 465200.8167 557554.2998 453245.4987 643078.293 396398.4318 421676.6676 409719.6365 301197.1446 334005.3844 531354.5231 466052.2303 339263.8611 2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 6813160.746 9222487.916 5541981.703 3804196.091 5952179.621 4791406.003 6621348.378 5277262.987 6060807.828 7991109.62 7231393.655 6492136.833 503503.9286 9519587.975 6845394.166 4301210.531 9434105.949 7081074.939 6828017.554 10933978.16 13932936.87 9111734.154 6272248.778 33977917.56 2740589.303 3020847.296 2583049.85 2955473.013 9190232.024 3537778.055 48954118.08 73839733.59 65141469.4 74087703.66 50321975.69 110358917.9 144720945 34263746.63 52046332.78 49289189.67 27002567.04 201837968.9 41501130.84 45516025.16 96602968.46 37372433.56 50444714.6 82270349.94 34044468.96 42476599.73 12818243.2 30088858.97 14795385.67 54785046.38 49215591.02 9911191.86 17382487.54 21301277.04 14027779.7 9994279.437 2-Bromo-4,6-dichlorophenol 2177926.068 1245021.081 732179.9194 895183.6134 663234.3334 769651.3607 769106.9194 626436.296 687425.6248 2625222.459 715290.3514 742114.0489 850934.1063 718469.837 704052.524 898530.952 761475.3918 735881.5053 591130.4717 1366848.49 1087825.516 1296903.851 974763.4783 853327.4267 853901.2621 684240.0911 825341.6934 1018409.58 816539.0161 773310.9468 780647.3007 1760215.034 1429197.106 1495228.473 1264528.192 1042486.274 1973345.287 618626.6459 1452779.364 1371579.751 1061297.119 737638.7525 1195189.092 1011663.728 2021044.965 1261116.519 403135.4955 1805332.327 1989317.807 1398909.584 1891650.225 1047549.913 1868653.167 981479.3794 1215110.499 1016932.685 1234279.892 953866.7614 2184026.35 1397340.28 2-Chloro-N-(2-hydroxyphenyl)nicotinamide 2191868.214 619416.8597 1325052.05 749928.2844 896803.5792 2622101.335 1061923.979 1209421.562 2012180.474 1055510.663 1480375.897 1062513.295 4111016.941 8724598.376 112774304.8 636026.3163 1239888.448 990276.762 4881759.399 1513061.487 1656377.389 2543330.526 1274770.556 6493492.875 2495595.722 4483954.573 2938405.544 3710395.956 2642913.412 3842935.661 26698285.14 16206843.66 1585809.635 1931928.197 13733451.51 2257417.097 1522526.671 6714070.39 1760638.871 2094356.138 1593920.991 1008492.968 21000843.78 29273875.33 27413386.96 6883714.611 7704513.206 857849.758 3601713.634 10350151.9 8882539.74 8377570.49 7139581.575 6381735.632 8166327.738 12294130.27 9946748.401 10188803.38 14459017.26 7400386.349 2-Deoxyribose 5-phosphate 1683684.43 751514.3193 1721597.058 1088221.71 1017919.21 1207115.098 1378326.467 4021540.283 2712409.459 991388.8022 1312720.934 2310359.082 2622681.438 10438645.1 2955028.863 1376368.398 1415592.26 2826383.387 12882124.94 3820252.589 6754020.151 18027599.66 5259963.016 5398083.083 10512632.44 110594905.8 147073442.3 80935417.35 24290836.32 49408787.42 28456308.76 31113055.9 8341006.684 3785786.187 30051640.97 13942775.68 12097695.41 16101410.87 14386125.32 31146383.23 30805289.18 8971272.118 23105859.62 33726080.66 30041180.15 31768988.04 25907797.8 15490767.26 38333595.79 27347485.24 45400226.39 45135733.23 55457865.09 39362983.32 39012228.04 61563875.07 59466624.62 31765420.4 46274390.25 38647558.22 2'-Deoxyuridine 16232706.57 15227482.91 9307839.941 9408499.554 10069954.22 5157006.862 6918828.632 6070863.259 8385540.447 1726507.961 4755274.878 11459340.04 2670283.606 4842766.445 5305801.595 12735596.06 13128793.92 7532154.792 6536024.004 4759902.393 4627569.098 5408461.933 2979425.233 2939561.389 2978841.217 7106971.974 4598922.838 3418442.134 4503727.291 2888717.652 48614806.88 59191169.98 121536169.3 107073707.2 51461511.51 67087208.51 122422295 84220705.01 102480575.4 76620268.87 63018379.96 131099652.9 28478357.43 32083458.92 36116200.33 93963548.56 88171752.41 81054038.2 35419140.55 27258584.21 33728899.56 33952790.73 37059690.11 26896267 29743968.2 32522577.92 27843207.89 31916964.08 30225458.21 28907250.46 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoethanolamine 598126.1114 343819.2095 2206479.353 167795.8959 945627.2349 807926.4995 1051531.238 487057.0494 534483.8533 298363.8368 13153628.41 1397118.546 337626.7397 442698.5329 583220.7639 3188661.176 1095514.299 561953.1016 147848.4897 249735.5626 426853.8227 936813.7184 655626.3571 8271451.555 194341.1267 340436.8254 543903.7976 372059.566 634031.5693 251495.352 32259035.22 94390867.89 79969203.2 85159457.75 46727798.61 104708502 139800390.5 39884940.59 46325914.23 36769011.29 17085943 247562430.1 13829085.93 19517384.03 28823319.59 25297721.63 34850729.92 105551217.2 10412033.11 13230890.16 5495080.495 10012904.6 6242242.347 14597892.46 21647410.79 4543782.816 20122088.1 13282202.3 10877718.01 5236615.986 2-Ethyl-2-hydroxybutyric acid 14774673.82 6699582.983 43765277.35 5475095.34 49127797.07 49408151.75 10871738.09 31531795.11 18866370.74 1616370.628 11415680.65 27995490.9 8293604.981 7727230.83 10459391.92 22914818.38 10498297.02 7921330.261 19109978.72 1738978.447 12177803.62 23597356.78 1033606.191 7220206.878 5527071.765 6281540.083 4899963.835 4648741.913 5758806.832 5844180.298 72496266.03 75273412.58 63115653.61 102093171.4 43819195.19 81903523.95 51599078.45 60987713 44868025.12 26798914.93 21904446.9 107056971.3 17940689.57 26774597.56 28232205 50411013.37 63554663.44 34101510.97 34548309.86 25475773.49 29736201.3 25466997.12 21493782.72 30659423.16 16904122.79 20968366.03 13989465.84 17199260.48 26498819.18 14230675.18 2H-1-Benzopyran-2-one, 7-mercapto-4-methyl- 715713869.3 642401188.9 774143145.5 514333745.8 677743973.4 385489121 837798684.5 772809548 927558072.5 398378449.2 809164395.1 1090665844 499730031.5 903911753.5 526861683.6 768857602.3 728116339.6 1155140335 949312478 836278496 1042802913 585185944.3 457491749 762462901 618816597.2 892544593.1 1062796190 383919903.1 564577208.3 2238616176 66477345.64 64016190.38 56080953.72 73221922.53 51274439.33 42188339.02 47105118.74 138433740.4 57191049.22 62261427.97 33217393.11 42203802.46 71057331.82 53994632.93 67690374.18 45525006.08 38071674.87 56457814.95 64506907.59 50356025.14 68356117.18 98984454 43560383.46 59529235.1 52817355.22 62646720.35 50392354.75 38085882.74 45699134.9 57672719.36 2-Hydroxy-2',3'-dichlorobiphenyl 2810150.524 924514.2256 9122373.688 28034.34699 5626363.664 3205532.035 6183533.126 11211460.53 18782611.85 3819416.795 4493162.859 4172223.039 5050911.932 11027451.94 6146183.847 2866212.351 5098543.095 13457423.02 22056520.26 2890074.637 6194908.372 5219919.422 6449917.386 7281186.09 9871466.772 26890055.39 12125246.25 18834428.66 10695890.38 2839572.728 453737.6134 860596.2956 588372.254 747353.4938 1740580.463 646609.5908 454746.2925 524406.8287 408526.934 637995.8239 530573.4996 451951.8102 2189735.599 1216637.252 1238495.141 557784.3427 785970.6758 633460.3223 432456.5029 1054519.129 1005304.41 941770.8744 810382.9469 570579.7473 482411.3543 363390.9444 544715.7309 874120.18 539301.6968 557555.7661 2-Hydroxy-2-methylbutyric acid 47388473.77 20953022.32 38928879.78 18812087.1 47721855.35 63230535.58 11367576.93 30870062.75 13705716.94 2025102.48 15608070.27 44219061.38 8202383.384 8040016.08 9487221.304 9984858.468 20069617.25 4324163.353 10905037.26 2032139.224 6435778.801 13064732.46 935405.4264 9179906.703 3802682.458 7682916.828 7472682.324 6578645.728 8748803.586 4121103.462 249246982.4 292944049.8 276661470.7 518023093.9 189483396.6 320602337.8 193099802.6 247638006.3 135284542.3 103013866 75189092.48 510063451.4 74013741.95 83662150.05 81336588.45 139136297 287146204.1 120470149.2 82331326.9 80360621.29 45999957.92 77290363.99 63277616.86 93324923.97 72557317.04 73798269.19 29284577.96 80544671.15 83924494.05 47392531.25 2-Hydroxyethanesulfonic acid 26352587.22 21163739.62 30834891 22746562.73 32893378.33 24868226.31 16000093.22 26928688.57 19086824.73 11378794.84 17207854.98 73580974.09 27342299.74 12927921.16 26156230.06 14807078.38 20239150.33 20324273.86 24467736.82 15924581.21 15487475.88 28652206.62 16495654.25 11140427.23 13289544.9 18417299.79 18434630.62 17191831.98 15565790.24 13431377.19 206363348.7 135358783.5 111393326 169079652 148901628.7 274221131.7 132010674.1 196080066 117183425.7 140116866 142936531.5 127957070.6 47969167.24 28525848.82 21467359.03 127830267.4 153044296.6 139044879.4 38933395.84 53696545.59 57576017.21 42487499.65 33180432.59 57730798.35 44774967.26 21137354.58 39253549.73 46836455.55 33481135.92 13768052.66 2-Hydroxyglutaric acid 11857663.4 4075625.431 13837229.36 3710846 10616218.58 12453355.49 8631758.367 16301294.52 14781877.74 58370706.29 9441289.138 16113354.93 29884686.05 8340895.309 9349213.386 6890004.709 11386942.39 11056628.48 15719022.34 3169087.967 2475241.419 3468290.186 2850506.631 3210742.063 3332958.68 6827806.288 6983738.869 5158813.617 6265996.55 4171831.814 934813.46 715949.473 611736.7569 773111.453 688632.0894 811518.0163 523234.5432 875669.7279 493817.34 460627.1041 29562604.6 904664.9553 675835.3135 783342.0912 1298179.32 934073.9019 763492.9266 631386.4749 29507342.02 587222.4723 692390.5154 33858286.32 35076972.89 511983.8401 386229.9609 32301452.56 34783507.97 32845341.6 581914.5455 400205.5671 2-Hydroxyhexanoic acid 14774673.82 6699582.983 43765277.35 5475095.34 49127797.07 49408151.75 10871738.09 31531795.11 18866370.74 1616370.628 11415680.65 27995490.9 8293604.981 7727230.83 10459391.92 22914818.38 10498297.02 7921330.261 19109978.72 1738978.447 12177803.62 23597356.78 1033606.191 7220206.878 5527071.765 6281540.083 4899963.835 4648741.913 5758806.832 5844180.298 72496266.03 75273412.58 63115653.61 102093171.4 43819195.19 81903523.95 51599078.45 60987713 44868025.12 26798914.93 21904446.9 107056971.3 17940689.57 26774597.56 28232205 50411013.37 63554663.44 34101510.97 34548309.86 25475773.49 29736201.3 25466997.12 21493782.72 30659423.16 16904122.79 20968366.03 13989465.84 17199260.48 26498819.18 14230675.18 2-Hydroxyoctanoic acid 9331846.876 3403236.332 10308193.44 3742248.41 5551357.47 17272358.28 6065717.604 8498839.734 11061327.52 2383461.926 15306907.78 19513236.46 14298426.24 8487013.503 5278782.713 5182653.754 10656359.56 13097535.27 18085177.86 3704973.556 2328143.88 5863476.237 2333794.307 4536232.975 5705933.23 4007894.288 5395314.379 5293501.147 5687420.3 3071321.998 22030000.84 27293701.21 55516432.78 49465321.36 21649019.22 43191823.12 29144319.54 39813090.31 30888712.96 16913060.9 13622503.07 53520552.18 21294737.31 25234605.48 24302912.72 32009100.98 31770643.67 32323744.13 9287344.431 20007575.95 17305560.99 10498041.83 18505494.93 15056233.33 16419226.3 9657763.191 11816463.11 8513219.397 10710341.72 18847509.59 2-Hydroxypalmitic acid 12599222.53 11868253.32 15421705.3 16525763.53 18736877.26 12997763.13 15660692.87 15782673.32 12020692.54 8163880.738 21875657.66 12685032.12 34245730.53 44916468.46 52263271.29 17217206.76 15785060.14 16252051.13 34461182.09 19728382.18 35379109.06 49377439.65 17758192.36 53826562.64 43654211.4 50245266.58 55555410.89 40344169.89 25572249.82 42589283.09 54675426.87 50668940.43 34296096.94 29622496.54 50661365.95 40601268.87 36094593.56 36625958.57 32570471.77 25797020.56 29061989.61 37492257.45 54228424.65 58900576.53 79712296.04 40053027.8 41398809.02 31884770.94 61154278.91 53692552.51 62121248.65 61116818.94 54448011.29 59459197.66 70353608.76 56684766.95 52250568.14 47780188.4 70594344.16 47923710.26 2-Hydroxystearic acid 8421025.038 6772581.751 27218716.95 9414106.567 10182076.38 10171605.35 13520612.07 18202949.58 9536583.659 2927501.618 9568261.182 13525676.84 16946354.34 14455193.23 55250441.55 25614163.3 7309547.639 9683855.302 41947170.7 14127882.84 18726785.68 70758944.55 14618266.81 36131537.98 50007091.69 33620802.1 113406168.9 54654063.03 18718438.27 41102312.33 22453685.25 20199969.66 13078800.79 13354726.65 20006423.52 16936797.1 25078694.75 20477481.86 18331474.74 13862632.31 13309470.31 17501560.12 21710094.8 23496941.48 36165867.78 19601640.86 19405737.39 16244156.14 60829916.71 24275032.69 51691621.74 56046656.25 19845550.37 38501519.08 29248274.34 29753058.55 28461332.06 25309515.23 31342911.15 24018456.67 2-Isobutyl-1,3-dioxo-2,3-dihydro-1H-Isoindole-5-carboxylic acid 120113.6657 151210.1484 127461.8423 133966.273 105747.1055 63838.70818 53899.98444 93517.61396 77049.59992 14891.73911 113195.76 91563.73146 88080.81332 50847.17642 78954.25881 190435.4087 138659.6346 87646.44184 134335.8733 26112.67637 11691.66661 33666.91002 16773.69257 37808.54112 53890.79308 80926.66929 59951.11199 63012.49589 162382.0266 48747.70492 754364.1761 771234.4989 391915.75 739993.5512 603862.382 1144413.915 583269.4421 1126639.948 450149.1354 518700.9746 469708.003 743504.9177 172520.1908 257231.9195 210782.8253 581199.8288 719196.2441 489343.4419 327275.5662 283390.9723 304630.0253 227099.0272 340157.6247 290242.0643 258238.1155 195337.7093 195526.6366 277659.2367 245307.5311 192015.6556 2-Ketocaproic acid 21683918.09 141808492 19733719.5 206936879.9 216200132.5 24832529.58 85860500.13 18718180.18 21218083.13 109219234.1 23873618.77 95061646.47 24948226.06 23947406.75 19508755.37 105631258.7 27475625.34 95020103.46 21299849.38 35732870.92 23736812.14 35617988.55 46087324.81 110028656.8 72697316.89 15479063.32 25077494.35 15644660.06 11698293.72 14201421.76 875541154.2 883992670.9 1204355314 1205141580 820832945.1 919761679.6 805106427.9 741016924 908033867.9 797483067.3 616194075.9 1836351612 773874452 494270820.4 518187954.5 1238050047 702932967.3 645510558.7 469746448.7 574192949.6 558380769.5 509509481.8 331907947.5 461414330.9 1035124765 1026976914 925409834.7 782034215.2 935593735.6 683994749.9 2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 15307133.89 8963583.113 15036364.31 6727043.155 16139864.38 22345836.46 11911866.08 11114378.32 20298573.87 14537347.25 17020639.06 10796882.55 27096581.12 22322040.16 21085768.77 17382764.66 13540486.4 16674195.44 15123998.72 12947189.35 9829044.663 13346642.32 10102755.15 30614390.11 11710476.81 4971096.988 5561501.361 4927144.562 12726565.26 5876717.682 60288388.25 82364596.09 63509617.99 70856441.17 53610755.74 75092645.57 93937116.4 38384766.33 37034412.64 44999316.43 30750007.62 96583860.85 47255637.23 41681936.9 106129059.8 36257275.63 37752774.86 105067565.1 41844475.62 27084289.73 11000649.46 31167357.62 11447600.56 49882158.86 76184754.78 14367429.03 14908871.47 18144779.33 15910275.03 9249771.906 2-Methyl-3-hydroxybutyric acid 5595114.729 3401283.536 8682517.987 2528557.989 4269865.037 7880559.953 4220665.957 9515549.001 9216560.208 1108993.482 3513882.768 10407004.72 8267416.631 7277799.259 17165945.1 2290424.916 3284995.605 2040127.431 46647939.54 4156158.641 6549341.696 9508253.176 2690847.427 14259381.95 5838427.913 8858815.285 6014916.155 4069304.295 11603854.1 7449990.066 11687897.56 15185812.67 21705026.13 22546430.61 12401769.48 17601794.71 10636577.06 10379995.3 20220637.19 10000980.99 6396702.015 26339442.27 7628771.111 7911829.675 8298447.529 15836089.78 12863426.84 8093590.896 6596455.97 6103265.72 11335749.72 7168291.097 8851293.471 7728291.302 6942278.66 4617826.09 6832378.348 6967065.299 6442079.433 6597984.525 2-Methylbutyrylglycine 1033673.48 590518.0485 1272894.951 1226278.87 1678838.309 906394.9465 819385.34 943901.3413 876788.9579 192428.0481 1019658.065 1843805.218 2293381.394 1358149.025 1681986.259 666672.7421 725507.1079 807038.9291 3983531.048 449437.2923 261866.3432 1065870.012 1069771.528 585660.8564 583169.2548 851278.9546 629961.8384 567702.3481 858081.0658 561401.3455 1187269.543 1063009.549 808190.6442 1924294.956 763464.6986 1351521.111 527077.2768 707168.7844 509824.5936 493487.7302 628294.4786 1729469.687 778276.2559 1288313.571 1550388.881 747634.8002 737108.5841 638735.6151 587443.089 406611.4463 608384.9613 670375.1317 420160.8373 372344.3745 1781369.627 659651.6663 573930.1887 598151.0533 525291.7559 656771.6686 2-methylcitrate 2766895.318 1302130.113 3450838.467 1296604.456 2847167.033 2869887.975 2869048.598 3812987.118 2958005.004 604309.6419 3142515.909 4409323.781 2154104.119 3239270.794 2309118.537 2319332.86 2950059.476 2777209.187 4269229.917 2037783.317 1317282.034 2460772.876 1029407.325 1860135.427 1744801.218 4209735.642 2245556.642 927555.7626 2895937.541 2155416.269 1348957.65 1801655.408 746037.4233 1334100.463 1070809.85 693200.5268 593430.8011 956607.7105 889834.6435 473518.5899 664274.1956 574146.7195 777495.251 1901277.18 1743407.271 342859.267 395819.0206 447564.9983 773873.3515 1033453.326 1348828.68 1387950.945 748317.2624 1288967.987 895302.0952 793064.1325 778364.6478 899227.4999 885691.007 791208.8271 2-Naphthalenethiol 4902098.884 2766405.905 1921477.148 3046209.273 700283.0352 931100.6384 1862533.396 2174853.911 3896960.781 1857860.037 2010350.657 2131612.665 13851312.44 2385080.973 3012565.904 1922111.931 1664822.438 1739567.247 7292391.795 3413823.807 7317200.215 1631392.977 2415816.208 1513915.35 1472990.07 2111422.259 1189993.426 7716487.907 2626876.853 7782623.561 5784891.04 3751940.076 3843229.141 3870828.547 5926115.252 3812763.884 3021717.997 3590871.766 2546453.123 3843568.983 5135808.692 4033221.647 4980460.668 6229246.064 3172547.586 5720573.72 5129034.028 3881580.349 6487404.205 5506948.79 6463728.038 6423229.797 5214136.78 6517619.117 6080014.046 5405452.523 6248904.461 4359880.533 5376677.099 6171588.072 2'-O-Methylguanosine 2794175.925 1871019.056 2484071.8 1938556.995 1199917.39 1416452.786 3129850.85 1450856.925 2693397.054 616824.0288 3184951.162 1963424.932 1262906.786 1580773.815 1466881.772 2046771.198 4270524.177 11248380.42 1278566.447 685182.8349 786215.7137 627748.6538 701993.6815 613638.6687 713417.4544 2560266.875 1457261.593 1748176.77 1127230.248 2618983.934 2829599.509 1714421.94 1791281.858 1557309.922 2779558.596 1855611.56 1287979.804 3058371.861 1607004.439 2073589.358 2100125.781 1200723.862 3075366.846 2863946.457 2742272.291 1332257.113 1236409.866 2032345.22 3329529.988 1715983.883 3314157.313 2819640.932 3431853.338 2388077.241 1971814.93 2367227.974 2419414.224 2645374.97 2623251.722 1868392.879 2-Phenyllactic acid 7864987.907 4948780.768 20696134.82 2503964.249 12513100.2 14770937.29 7856908.663 12776773.46 7458028.16 468788.8373 4726746.842 8213658.05 5996921.641 5992829.018 10167225.49 13669993.47 5440438.016 2530846.771 38022972.93 1312659.239 3569924.318 10797259.13 941945.7489 8790841.897 1934726.16 2335332.339 2017084.252 1187301.246 2231603.585 1130301.92 50214840.12 41441472.13 24086454.4 36098065.2 34673350.75 25660080.9 17248342.12 31155569.86 19601828.96 13722008.47 18025320.19 33879915.66 30910919.94 29272467.88 27913956.13 20396495.16 29644718.66 14211876.21 33229762.95 24496217.12 41195042.99 29944461.8 18235957.95 29119458.31 26836728.64 33341952.37 26461080.39 28028012.75 37831098.83 19218080.13 3-(.beta.-D-Glucopyranosyloxy)-15-hydroxy-2,15-dimethylhexadecanoic acid 1896688.468 595633.1974 2578624.869 381287.405 7256831.676 5021750.886 2558811.406 3702700.446 1747698.061 635585.2157 1455280.364 2329368.687 2024227.373 2974215.969 3594024.466 2082561.251 1519677.749 2705616.071 7672801.043 1927323.642 6651300.316 2996964.377 1765305.014 3896583.046 4784941.629 6186280.572 4509213.395 4462359.762 3910530.043 4615621.75 52538298.25 32834767.6 28050726.69 16783110.44 43377249.76 11763999.36 24811765.99 37016555.26 21931269.7 22084302.88 50559358.17 12808755.36 90364510.54 73524293.39 112269322.7 37443286.37 48106357.84 38992164.3 87162733.61 78542245.64 63770142.09 74831540.81 70705780.14 90168973.69 88473299.36 87678074.62 101272632.6 67202169.05 73154026.92 74837944.98 3,4-Difluoro-L-phenylalanine 16958026.08 2264588.8 22847689.69 2723080.042 13905321.58 8282500.871 10608829.84 17505609.13 20746289.06 1984992.799 13146696.3 16048694.32 4096047.424 17125304.14 9524143.516 4713471.434 18767315.19 17931382.35 23570505.06 453198.8791 589115.2369 3337558.551 2313756.613 2275266.525 2672365.212 14090864.19 18436073.13 8429939.369 17414794.63 10606450.57 1587974.319 1693420.42 600746.5266 1198447.688 1999418.565 2314180.042 2140020.677 290589.7953 2318268.061 1923130.323 1376577.507 3024454.882 2296531.698 1744432.858 2622171.022 2328114.092 2890575.266 1155375.79 2311308.977 1815501.45 2172042.948 1436848.554 1691872.018 1985746.282 1987491.57 1808385.106 2013452.094 2319466.564 1698889.198 1230482.843 3,4-Dihydroxy-5-((6-O-((4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-yl)carbonyl)-.beta.-D-glucopyranosyl)oxy)benzoic acid 253916.3327 241906.1295 230832.3963 240865.6243 248819.2696 244777.9751 242248.0391 246902.4518 202781.6052 229240.0697 236713.7267 244474.5052 260542.2826 209324.4425 234403.2009 233916.8447 210125.2072 246698.1842 245233.9255 244307.3635 226597.8388 244072.6537 224638.9625 236531.2111 264331.9693 240531.9073 241479.2315 250929.0794 217156.4245 273243.3147 64805.87815 68975.01556 92297.84119 83433.74747 78837.34058 67154.59245 0 71739.14992 78697.38892 76384.05375 38200.98273 59351.98364 68925.11148 0 76507.241 96863.06754 79762.16815 65519.9563 84325.64932 86101.54229 78742.9082 86307.42744 82993.28933 62623.96652 0 67813.49856 0 78405.96879 45427.12366 98279.20275 3.beta.-Hydroxymevastatin 45054.42578 0 237618.7068 0 151578.0725 12642.56767 5493.564503 163414.3701 44899.20885 0 0 96241.9852 0 33551.39041 15045.54237 5888.051751 0 0 538222.3812 0 0 34729.19399 0 81563.08759 100033.8319 138322.5746 177571.5002 24249.30141 179336.5785 54252.7675 20098843.42 16578721.45 10308831.74 21574135.25 13642202.86 28398599.04 12923547.53 36399668.8 11861272.6 11398670.78 11075425.39 18142494.61 2089640.585 638562.8453 695522.1673 5109269.146 17893847 9936367.08 5343062.786 2105443.25 7143955.36 4320912.401 7399590.656 5713678 3795381.734 4911771.529 7731100.765 4119080.758 3052591.734 7867269.659 3-[(1E,3E)-Hepta-1,3-dienyl]pentanedioic acid 6035190.244 1535429.63 5348506.896 1417669.459 3858554.746 8530695.499 6133779.624 6709608.907 7703437.706 929727.9492 7308825.898 6920899.697 4558800.786 6378316.195 7508101.565 4174388.045 8053765.949 6667829.683 8327514.552 1608985.319 2503597.25 2456990.613 1130391.464 4058983.344 3772349.6 6818094.7 5545258.682 6498437.399 7923060.669 7085212.479 11563581.35 13829275.67 11332135.92 15183902.62 11683329.37 17979770.74 8372931.556 11131875.94 9940450.505 13476248.99 12263559.76 14676161.07 13318356.07 13274784.55 12766026.47 12894858.92 12215136.33 11477449.62 8588164.345 12219962.15 15040486.78 14778170.74 16084938.09 10094459.93 12204981.45 14357459.77 14792945.39 7636342.463 14047812.79 16260191.06 3a,6-Dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one 257027.6801 245175.4629 740595.7334 135565.3127 381749.5276 260973.2725 538949.9003 991762.2534 1178209.077 233947.5026 504815.2132 532977.3637 896601.7962 1190488.332 1194404.309 465887.9053 490052.4077 507094.492 1331253.128 826257.8454 1404400.475 1791847.484 914719.4416 1220424.263 1489507.421 1428664.006 1349674.573 1551759.625 1935668.32 1556801.329 148167.2706 246305.7426 192638.4053 234838.8185 154186.117 221659.8391 244588.3305 193815.1758 412401.6624 201910.9657 209368.7716 195824.9153 159350.6068 152137.8926 159164.5048 153395.1214 187846.9366 200361.5402 238934.7738 121136.448 153665.6689 248387.5364 143386.5409 166863.4916 174637.7524 166840.6813 153001.0843 161091.3227 158925.0571 291645.3624 3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic acid 1990408.757 87588.60757 1740148.219 1603378.857 2218007.66 1578972.721 1664677.028 1752641.794 168295.8911 1389744.466 166542.9638 457849.5428 1310369.796 947432.8855 22915670.06 1538436.38 1715519.957 1969924.877 67911576.71 1454666.059 12574951.19 3419760.464 1932629.113 5687337.25 8512564.865 7053269.957 2030386.018 1133704.996 7680882.726 3821701.863 1096810.745 2045458.114 1026641.12 1251372.337 1085776.704 2263562.251 311262.6489 1414425.054 455957.4609 688420.3875 698695.6189 1141542.759 1266130.787 1787300.059 3046304.569 964160.5119 1269232.705 776564.6973 2988595.356 2976471.903 3092097.104 2572037.869 1838707.79 2249917.304 3554067.155 3067855.471 2804310.975 5901447.652 2394900.77 2627850.722 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid 1990408.757 87588.60757 1740148.219 1603378.857 2218007.66 1578972.721 1664677.028 1752641.794 168295.8911 1389744.466 166542.9638 457849.5428 1310369.796 947432.8855 22915670.06 1538436.38 1715519.957 1969924.877 67911576.71 1454666.059 12574951.19 3419760.464 1932629.113 5687337.25 8512564.865 7053269.957 2030386.018 1133704.996 7680882.726 3821701.863 1096810.745 2045458.114 1026641.12 1251372.337 1085776.704 2263562.251 311262.6489 1414425.054 455957.4609 688420.3875 698695.6189 1141542.759 1266130.787 1787300.059 3046304.569 964160.5119 1269232.705 776564.6973 2988595.356 2976471.903 3092097.104 2572037.869 1838707.79 2249917.304 3554067.155 3067855.471 2804310.975 5901447.652 2394900.77 2627850.722 3-Amino-4-methylpentanoic acid 216756644.9 45261098.04 238403005.7 60988936.26 262574409.7 156422768.4 196225400.1 183594792.5 310671175.4 28031627.32 196652622.9 254400473.5 116248337.2 259226617.2 135522124 139173023.2 249538550.4 328288275.2 289963117.6 41499686.08 32104617.08 82669642.01 40541052.98 46271785.02 62850243.79 204205781.5 203387838.9 140153328.1 169791760.9 133180640.3 111550084.2 105124631.8 78744780.28 81899908.17 156393249.4 74891670.24 70197766.2 120097900.7 63768282.49 101997504.8 113636892.1 100465724.1 91975087.45 110124475 165508388.9 76212531.17 87040623.82 85542098.92 86831642.72 153673014 52905328.31 65611443.6 94003416.83 32613535.7 73060830.05 71363287.8 132774510.5 108068198 133040517.1 52698871.86 3-Aminopentanoic acid 144758961.3 29781188.41 154968996.9 40881020.1 164629207.4 101063638 112083159.7 119764706.8 205276747.6 16239423.92 118260789.7 164782443.9 79766888.58 177146498.8 99207281.47 88364683.21 167501175 196334861.9 187075837.1 29087449.86 20536946.23 55045798.02 25648862.04 30411216.08 40865315.74 103745019.7 108175163.4 76208280.7 97971005.75 67949942.61 87107061.17 76377469.28 45653268.08 48573242.84 69992074.21 51159861.43 49057940.54 69556023.62 44669717.7 43593925.88 49985665.03 53871990.21 89181683.97 95109063.54 92537279.9 53401631.62 59629707.74 53724317.02 41359763.72 76406838.1 49881695.8 62228706.13 45492333.22 37949999.33 68552951.25 70441338.91 69044500.93 101150057.8 70407019.62 50010347.3 3-Carboxy-6,8-difluoro-7-hydroxycoumarin succinimidyl ester 2239000.712 1318299.346 2999593.761 1082983.768 1778081.186 1668899.901 2390480.093 2821330.76 2558384.744 586283.7477 2150986.357 4519682.5 3085803.829 2163775.319 5451973.05 3768570.54 1746658.219 4085347.901 2590585.942 1648423.923 1961249.206 1563742.504 720236.6061 1450618.421 2418660.602 3105095.148 2011996.565 2010768.219 2633778.938 1782061.833 597174.789 990519.0827 1795856.617 1265968.549 570756.0811 579569.381 1064398.821 4478030.488 602701.8967 1971223.138 1614611.303 357098.4939 2421144.965 879137.6826 794836.4521 518057.3097 899834.3155 1794178.522 688073.4419 1377508.748 348613.8369 609544.6007 225700.6987 391993.0738 477470.2829 291346.966 212945.4417 871784.4924 238069.1717 123188.5063 3-Cyclohexyl-2-hydroxypropanoic acid 13097096.28 7779500.376 12652659.39 11667963.04 11162161.7 21879857.27 12009615.14 15756375.94 19051347.85 1980569.962 11452896.77 14044350.68 14666516.68 20628417.74 16613375.25 11247045.79 11434132.23 17422053.07 21730035.09 6797325.338 21233027.92 15460608.24 6252255.456 9040910.145 24989661.07 14227131.05 23482659.05 13830218.19 12121532.85 14254162.48 29822255.61 24849240.16 19351286 20237773.08 23682894.63 30809645.58 26830768.68 22581378.72 30506983.69 14219708.76 12041166.11 15184159.16 28786655.11 18004648.43 22159144.39 11402058.61 25978797.64 31455173.25 17631703.23 15859245.22 11341304.86 23016736.44 13197540.43 11092953.19 32667876.24 13874955.84 15668410.27 14510097.13 17073450.76 19198856.2 3-Hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid 9105815.439 2674851.866 7612783.21 3053184.798 5520883.953 10192986.18 9389422.6 11909556.43 13990097.47 1400981.342 9115671.959 9021996.549 6823877.329 7929814.822 7572162.211 4171138.035 7454481.425 12963504.25 11491087.67 3161028.667 5496709.367 3550353.314 1623592.759 5139403.761 5054123.988 12634031.64 7671998.458 12955212.41 11049835.87 12835052.47 2091578.059 4899098.523 2757257.439 4477937.311 2461622.708 4864748.386 4976100.721 2141979.233 5786563.213 5581952.866 4644253.845 3574572.068 3831637.108 4744408.938 4128078.757 5659893.558 5724458.709 7131469.666 3425629.152 6540352.384 5582252.432 4213690.426 4970883.753 1959312.012 3223193.986 4391807.831 4082806.459 2449706.024 3789034.044 7438972.452 3-Hydroxyacetophenone 2035666.903 1143937.284 2499410.098 1425564.513 2032063.581 1732133.799 1718445.949 3282103.403 3479166.89 925923.457 1841743.165 4080680.216 4524106.499 3962759.114 12458725.65 2263908.876 2032339.372 2304844.093 14378035.55 2549308.555 1401984.115 5440580.513 1163608.659 1674281.939 2209612.289 3731265.048 1439614.489 1470786.796 2982568.31 2162308.627 2036952.169 2191464.651 3795978.06 2382440.581 2278701.691 2295159.862 593694.6576 1068380.539 1565483.614 2211226.991 2138458.443 2199435.68 5258437.59 2952956.764 3414012.718 1075849.636 1264507.62 1248915.862 3789647.118 2705102.308 2637832.069 2797351.518 1771134.25 3308725.319 1502937.113 1224222.88 1460523.898 2442546.084 1995035.197 1047007.604 3-hydroxybenzaldehyde 3624029.037 5229521.568 6982500.155 8555207.701 3909918.183 5120356.764 7362172.599 8081755.863 3652223.911 7670032.352 7877199.454 8671099.409 7424775.634 9507961.98 6480152.737 9388379.989 3444013.857 9388548.443 8918714.469 7446188.196 10068492.58 11500385.32 33671.13112 9534284.513 10322321.37 7983252.541 6939833.018 7393161.328 9762862.926 6745459.951 36340847.34 35067801.99 32202785.21 40210179.57 33149246.38 50542241.53 27977087.34 25592027.28 35781421.47 31951089.17 28384993.85 24532273.58 37560456.96 33631713.48 36090492.12 28399518.18 33465808.65 32018881.74 24240293.33 28315645.52 28577285.44 32213281.5 24888289.23 22220639.48 32326169.02 41931215.42 31787751.68 24465584.5 33581346.03 29920076.46 3-Hydroxybenzoic acid 2182867.969 2150587.44 5839616.381 2553986.565 2367355.284 2834669.848 2492751.375 2734974.206 8645365.108 1352757.286 2285167.117 4467726.678 17272821.95 13861331.66 8535597.719 2637461.878 4486862.238 5301966.732 5110930.028 1838884.691 3322278.837 7483758.889 1705295.888 4460852.744 4103212.306 6667722.255 3045255.417 3194301.016 4916437.146 2588249.828 92849310.69 68812727.23 11980853.78 9789140.034 65514599.75 242766.0571 2504502.175 24921934.36 6424291.949 21853233.05 33691015.7 7402405.903 113606547.5 147507843.6 161360945.3 39397933.03 30968804.39 107152.0185 19214521.88 62297239.58 59377709.16 48520365.63 35681895.7 22460832.58 88451923.26 156789169.5 93274636.95 105743123.9 124548423.2 124440407 3-Hydroxyoctanoic acid 9331846.876 3403236.332 10308193.44 3742248.41 5551357.47 17272358.28 6065717.604 8498839.734 11061327.52 2383461.926 15306907.78 19513236.46 14298426.24 8487013.503 5278782.713 5182653.754 10656359.56 13097535.27 18085177.86 3704973.556 2328143.88 5863476.237 2333794.307 4536232.975 5705933.23 4007894.288 5395314.379 5293501.147 5687420.3 3071321.998 22030000.84 27293701.21 55516432.78 49465321.36 21649019.22 43191823.12 29144319.54 39813090.31 30888712.96 16913060.9 13622503.07 53520552.18 21294737.31 25234605.48 24302912.72 32009100.98 31770643.67 32323744.13 9287344.431 20007575.95 17305560.99 10498041.83 18505494.93 15056233.33 16419226.3 9657763.191 11816463.11 8513219.397 10710341.72 18847509.59 3-Hydroxyphenylaceitic acid sulfate 805489.7938 367208.9596 3600776.028 321063.515 2791446.16 9516044.672 1304803.332 5099814.329 888968.8516 255497.1005 305197.7316 4462540.107 840559.2138 1709687.627 1612929.409 894787.9554 667387.4486 201594.0914 2735155.466 649986.9953 783223.5751 738638.3476 408370.6147 127639.0621 956708.9021 6149541.738 3249212.298 1617955.752 3345475.861 2976255.579 24509821.01 50511932.89 3719036.696 4114600.455 34648768.22 5258854.694 1460285.335 7867251.29 7718876.602 1156536.647 2281036.398 16711223.56 3041158.477 5033407.55 4651450.745 7076188.125 4721480.684 875305.5404 4009363.731 4644729.999 5528756.508 4072282.663 3749499.21 3679450.224 3055071.174 3596844.056 2534309.29 3633487.213 3206186.589 1476221.425 3-Hydroxypyruvic acid 30924378.51 17782568.09 40185984.7 15739842.71 41626619.2 41056936.17 37532961.95 49123985.61 45567185.54 16888134 32266877.25 30376987.01 28221949.9 28935846.05 48226607.48 26237591.72 30218830.8 37645232.82 53465764.21 20602204.97 27404699.4 25645488.99 16813376.22 19687147.88 27358986.4 33950542.74 30205675.18 29173984.56 36385059.87 45938726.97 2336225.618 2417860.648 1610416.145 2163043.282 2100053.095 2651925.227 1111774.704 3630427.888 1269284.051 2332542.983 1035661.76 1387325.128 1725336.266 1471043.137 1642039.242 3483175.689 1687051.236 1380492.308 1632398.056 1374220.717 1209235.207 1115259.714 1822320.748 999588.9918 1091373.384 837956.9955 1075270.495 1199455.293 1013391.59 1067261.97 3-Hydroxyvaleric acid 9862745.409 28114545.64 11897521.64 15447455.45 3265011.158 10829793.89 5847341.861 22072033.88 7294294.352 2613559.766 7812899.873 20276376.92 12989641.83 10417597.6 12339710.7 4290518.154 7861532.299 4383186.871 63510535.76 9713279.049 6907747.914 18697233.65 3080731.157 17334575.24 6456126.657 18447347 3046990.274 4870419.31 12147611.22 5288026.382 11687897.56 15185812.67 21705026.13 22546430.61 12401769.48 17601794.71 10636577.06 10379995.3 20220637.19 10000980.99 6396702.015 26339442.27 7628771.111 7911829.675 8298447.529 15836089.78 12863426.84 8093590.896 6596455.97 6103265.72 11335749.72 7168291.097 8851293.471 7728291.302 6942278.66 4617826.09 6832378.348 6967065.299 6442079.433 6597984.525 3-Methyl-2-oxovaleric acid 21683918.09 141808492 19733719.5 206936879.9 216200132.5 24832529.58 85860500.13 18718180.18 21218083.13 109219234.1 23873618.77 95061646.47 24948226.06 23947406.75 19508755.37 105631258.7 27475625.34 95020103.46 21299849.38 35732870.92 23736812.14 35617988.55 46087324.81 110028656.8 72697316.89 15479063.32 25077494.35 15644660.06 11698293.72 14201421.76 875541154.2 883992670.9 1204355314 1205141580 820832945.1 919761679.6 805106427.9 741016924 908033867.9 797483067.3 616194075.9 1836351612 773874452 494270820.4 518187954.5 1238050047 702932967.3 645510558.7 469746448.7 574192949.6 558380769.5 509509481.8 331907947.5 461414330.9 1035124765 1026976914 925409834.7 782034215.2 935593735.6 683994749.9 3-Nitro-2,4-quinolinediol 14646130.18 3935537.124 8575145.811 4329873.331 9896748.825 14685699.64 13770018.73 14464472.47 17057669.57 3064129.938 19855102.71 27563667.42 47670862.07 18163385.18 44981056.17 13914599.03 12806105.62 14019915.97 18579497.52 41780975.91 7444513.087 9309830.448 3903367.241 5094695.475 17008242.48 9934249.405 11810379.84 11774715.52 19188191.3 10523081.5 6873931.328 2361093.521 3170698.238 2291999.329 1983655.255 1765093.798 1118920.611 18490636.9 965336.034 1644808.332 1668242.936 2531316.089 611756.9125 580804.9587 410054.6864 1063762.281 2480461.504 1331854.941 821904.2215 664169.1565 1562212.648 292600.3703 372602.5989 227106.3967 581053.0391 697428.3087 260389.5098 243051.1783 215366.2982 356666.8011 3-Oxocholic acid 0 369070.524 48672.38541 0 789639.0617 852311.0942 61363.63009 1048141.039 0 0 0 5086972.68 43492.80094 0 739368.7423 214360.4254 0 0 2300440.965 220904.4144 2567436.851 136819.6212 101963.2222 1129939.726 954530.0923 2498821.138 0 168917.1099 1040900.385 116208.3558 96403.71265 592333.6548 251712.856 178690.0472 176925.0818 230573.5564 83034.615 1367998.376 52764.98326 0 79203.53574 524634.8543 142496.9276 593423.1245 920742.6067 213962.6989 223624.4043 37560.96972 669454.8431 74690.0234 620177.705 606075.5862 782852.2353 392037.092 376769.6548 672197.472 310304.7464 878300.2805 362706.8848 167696.9711 3-Oxocyclobutanecarboxylic acid 8619237.179 8376044.633 11175747.64 8955302.762 22751027.19 10140694.97 12712666.67 11875354.51 11538136.29 8765150.494 8694778.042 9383733.834 8007249.517 9286263.16 10470280.79 11344122.42 14505752.02 12800746.66 8575487.973 6432399.084 6136237.458 6065537.692 5463420.635 4981835.312 6056623.006 5272235.002 6384389.357 5623535.731 4944887.427 5893861.34 71498936.59 56692323 30554362.05 29815038.37 84528059.42 35477715.8 32385900.92 10028952.3 47417920.87 48845346.87 48819719.46 32464052.15 69546802.91 77719470.35 70010784.18 88045417.19 50787810.15 62680791.4 169714194.7 87336210.7 138669704.2 131250867.2 109261236.2 134529332.3 120724480.3 119117709.5 133804055 91290863.72 114137534.6 132370286.7 3-Phenylpropanoic acid 5832402.921 53613793.78 26846459.44 54596683.94 3271639.58 14533261.96 25087752.28 26131463.76 24309672.54 10201583.7 9129834.276 25264617.54 29201299.84 12856944.81 181263600.5 11459333.33 63689946.06 31601399.29 82257769.61 13145568.3 6211107.46 11739608.44 4874263.833 32849773.16 9442946.06 35078699.42 18724185.68 7677337.258 15558019.7 17367174.39 29071997.69 37211646.12 27940045.59 25876957.57 26571179.43 30880895.81 17957975.88 20449414.02 17069423.35 23175795.83 41316985.74 18136526.71 20986917.32 35942735.44 9945314.695 23751001.98 28191831.62 18124656.02 9529425.086 17608964.16 13908576.94 8431985.819 12239123.38 6717908.32 12808790.39 21812861.71 17683463.13 20304657.45 18576723.98 22522649.35 3-Phosphonopropanoic acid 13464222.03 5364752.727 38276282.2 6433428.852 15224150.55 8859817.93 20000523.47 44862338.12 41092523.35 2342837.659 19239846 17553305.49 11148466.64 38095912.44 21243604.43 12516677.84 19810808.3 28881688.78 38542437.73 8069937.217 8075261.979 48624980.51 22239062.22 24582050.61 29268202.56 117336031.3 105047246.2 83223291.97 52473440.5 68666912.26 4352608.678 4987451.291 8503414.327 7311194.684 4998253.032 6896075.733 6217803.549 6095107.005 6353731.229 6506863.375 9653289.688 6486879.038 9313827.999 11771133.29 11795932.75 8325632.227 7501895.078 7178905.257 2559559.145 8451441.982 5103917.474 4330317.122 6202316.236 2085397.986 3410406.016 2918406.425 5158773.625 8236211.778 5635073.599 4317835.621 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-thioxo-6-(trifluoromethyl)- 8900665.13 56321.36857 12478368.92 3339041.137 10219531.31 3787623.581 14089030.96 11153833.72 11507023.71 1838610.254 12259289.07 7110944.319 10059872.57 11872904.93 10014303.37 10582053.06 10932738.2 15521130.49 12569760.57 6013508.032 8920250.71 8773246.514 8225923.919 6437910.647 8395365.844 8556665.217 7064621.945 6902428.182 14678802.09 7633406.968 26503982.92 26950716.26 26126617.02 23151626.6 66112816.32 72259688.64 27351461.78 97238302.39 25671878.5 26350117.12 66642899.38 26142089.3 65539651.57 27062364.56 27495899.03 27605911.4 26988889.58 24827427.24 29366578.84 25830882.2 28070750.24 31347792.83 28944102.8 30299357.71 31107316.63 30391809.33 69780527.72 68113489.66 25750140.07 30673234.05 3-Sulfinoalanine 19926447.07 11661916.4 22283788 12924593.18 15426572.11 16874490.44 20340052.4 15119516.08 28446100.13 9547562.74 18986505.68 21303152.69 40835908.98 32164054.06 32616848.08 16112081.39 22114700.54 23031058.58 48166058.02 19222422.66 17628686.14 27405014.52 17899384.5 15552214.07 15828751.38 32300812.72 29872786.36 32924394.67 27199953.38 13882555.25 32488342.76 9893402.025 14781004.6 11713359.59 22090675.57 8143281.517 3714944.252 87454640.05 17996768.29 15656625.4 5263725.274 10049300.12 4318679.765 5196536.833 4353877.165 6715799.783 7404696.477 4550483.636 4147332.954 4813033.395 4492560.139 3070426.922 3948336.771 3119166.724 4241963.734 3114979.826 5955622.107 4088078.279 3636472.68 3384776.73 3-Trifluoromethyl-4-nitrophenol 3295951.587 5347188.292 3273349.146 6035904.074 5434900.912 5288149.452 3592245.511 4895025.855 3907010.082 6354803.879 3320934.415 4571875.456 5665847.886 5070531.095 5620258.302 5565152.116 3295780.875 4534651.386 3074442.243 5856005.465 5679360.576 6083654.928 6524427.546 6198947.59 4845367.49 5430680.595 5260859.294 5785250.183 4102052.194 3977605.603 2308386.135 2191512.885 1522462.004 1512727.344 2019413.228 1764905.092 1539031.201 1350284.7 1555205.701 1562310.374 2181589.385 1345639.348 1939373.284 1699600.11 2292745.828 1855010.573 2405431.188 2090037.083 2350075.697 2008456.161 2587256.925 2732650.56 2146891.167 2451118.568 2584017.727 2719280.361 2296534.294 2266894.489 2455752.015 2546850.772 4-(1H-Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine 4431913.241 259472.5515 9336878.833 238302.9579 11029995.44 13705801.36 1811331.398 7647755.172 3061589.666 60208.12823 3012304.591 17607148.22 1055623.746 2646982.296 8238938.087 2103679.521 2777563.556 522944.3329 5723354.531 167372.221 586261.4604 1037497.435 94307.96212 934520.7658 1009320.473 4720316.427 2802938.552 1808253.395 6102376.63 2783066.391 20168980.82 35466298.34 34426862.54 38636970.41 26331402.55 31130531.15 26375161.03 29590305.05 20971351.47 17410574.52 7438025.298 41579832.48 11460402.11 11138484.5 11577866.52 33518681.42 15889352.34 16118701.33 11328399.33 4981339.227 16054721.1 4413590.695 11135691.35 10402806.11 12694888.06 6944452.321 15688771.85 7688507.67 3734704.097 11359662.18 4-(4-Mercaptophenoxy)phenyl hydrosulfide 6259926.119 2073885.27 8499141.06 2083908.059 3243085.115 6350003.163 2765524.508 7311656.827 6098699.489 9881676.627 4171000.768 3982529.936 6683075.46 7695037.389 27886027.16 3761670.813 2797285.273 2078727.296 23266996.15 1478651.269 2951575.378 6259336.318 1423215.54 4435257.743 9955890.094 9855230.528 9554723.316 5890910.061 8387643.302 17433149.97 46888269.25 8880337.269 7486156.581 9812236.262 20467251.9 16803671.6 5580611.561 25111816.84 9718898.945 8922258.788 9620978.267 6326679.617 18463818.63 20522805.54 17660653.32 9941319.066 10086448.51 5512723.54 7580412.056 26114020.94 10612441.8 15553486.14 10262463.02 22923256.86 18043558.19 11137470.01 11756601.76 18854096.29 14820508.84 19312014.76 4-(Methylamino)butanoic acid 4397073.918 3250798.46 7890734.404 3242345.764 6160733.515 4046434.305 4700884.411 5686456.741 6253018.963 2676991.744 4703576.246 12398703.9 5893428.804 6804303.658 5323653.674 3677211.227 4768796.254 5704530.56 11445281.89 3088661.242 3264654.779 3468755.004 2807288.774 2999508.734 11757066.11 5303477.657 4509857.285 3697159.436 5116115.058 3241554.163 1555223.355 2311382.37 4103602.821 2367612 1106901.896 1847334.111 1963675.268 1876056.055 1477316.5 1483524.938 1970797.076 1692110.659 2355176.906 2492989.147 2243496.058 1737160.306 1986834.362 4437665.189 1294459.009 1845794.728 1818281.726 5078019.168 4469735.545 1433604.739 3066160.938 2618019.767 2132010.793 3892281.07 2094902.75 1596320.008 4,4'-Sulfonylbisphenol 1164524.587 1187506.834 1206265.766 1184638.963 1186483.894 1123527.523 1148233.266 1264366.558 1230243.75 2173325.657 1216758.727 1116142.537 1134760.922 1076209.858 1304327.941 1135051.408 1175803.897 1276908.018 1223466.079 1288228.182 1188430.007 1152336.44 1132873.726 1207124.7 1204736.83 1223490.057 1187716.625 1165806.135 1085138.314 1107390.016 516384.143 451621.7796 477708.8199 424699.1472 415850.0962 473673.7297 438516.4483 727210.6642 543475.9049 434309.4591 535747.6372 212105.8811 382029.9974 261768.406 454338.8079 482955.973 480645.0212 383959.1354 487063.9929 512637.162 329113.6474 433908.8266 419775.0654 310825.9653 422971.649 526309.737 416829.3575 201069.9729 405231.4172 276547.5975 4-Cyanobenzene-1-sulfonamide 32076245.41 12738825.99 32290095.47 13704195.7 31472670.09 26911935.62 28503999.68 30507615.86 22999470.82 7658519.37 27386230.29 23736869.65 18134039.98 20749627.68 21178123.88 26537419.63 24592448.02 22512222.12 20858205.13 10586378.62 11177416.88 16426519.52 15745462.36 19225236.18 27972913.2 24024574 23493488.31 25624664.32 29065438.99 33277325.72 395908.0121 420316.2213 567151.2953 514258.9521 504880.6732 355856.4906 641131.1108 318492.5841 334094.9771 591367.5779 584167.9255 197779.3531 597287.8083 482945.8319 495895.7863 801919.3936 551489.7749 726109.7117 347286.4115 548299.8094 745163.856 373190.8378 508053.9428 805293.8859 523107.6054 568895.6149 590489.0456 567359.6247 508403.4319 337735.476 4-Ethoxybenzoic acid 7864987.907 4948780.768 20696134.82 2503964.249 12513100.2 14770937.29 7856908.663 12776773.46 7458028.16 468788.8373 4726746.842 8213658.05 5996921.641 5992829.018 10167225.49 13669993.47 5440438.016 2530846.771 38022972.93 1312659.239 3569924.318 10797259.13 941945.7489 8790841.897 1934726.16 2335332.339 2017084.252 1187301.246 2231603.585 1130301.92 50214840.12 41441472.13 24086454.4 36098065.2 34673350.75 25660080.9 17248342.12 31155569.86 19601828.96 13722008.47 18025320.19 33879915.66 30910919.94 29272467.88 27913956.13 20396495.16 29644718.66 14211876.21 33229762.95 24496217.12 41195042.99 29944461.8 18235957.95 29119458.31 26836728.64 33341952.37 26461080.39 28028012.75 37831098.83 19218080.13 4-Hydroxy-2',4',6'-trimethoxychalcone 21776586.5 1260107.072 18602224.41 1243756.205 22050168.54 22104596.21 10483778.84 35757979.95 36253810.32 505153.2751 14616805.5 23833668.61 7083358.342 23970136.2 11764736.92 5426745.08 17439891.52 26447195.61 30704557.36 1339142.679 773191.6508 3105193.912 554305.99 363176.0106 1073582.12 6352293.458 7151714.118 2423217.126 10156385.56 2617816.239 9939954.26 7829873.305 7212813.636 7452981.927 8188358.014 10573198.81 10461560.91 12606572.58 13143198.5 9717488.881 7424766.155 8555791.909 6680639.175 3289159.59 5512142.323 10023854.15 7574081.953 12550183.06 6734909.404 9736094.288 7085888.195 5698384.693 5927538.757 4907715.298 5000628.155 4931995.935 4496118.776 6765357.464 4885276.513 4112603.649 4-Hydroxy-2-oxoglutarate 3012452.58 1009620.868 2606323.868 740874.0128 2154399.568 972923.2605 1182930.633 2392491.561 1357949.337 1982460.958 2768276.927 1314621.813 1944431.572 1414366.81 989701.8635 1249485.288 1139778.38 1646439.738 1322724.321 1142470.338 2643091.048 3919002.357 740142.9812 1020785.241 947196.3666 2094676.217 1364671.489 1926698.685 1935132.505 2039125.124 258667.3893 398184.346 738720.9836 7004623.105 521248.5373 7183931.054 609751.7756 7783187.652 796889.8594 695213.5132 738057.1424 509298.1567 612789.0266 185508.5532 486453.3753 443003.5119 363656.6961 327377.1313 331588.2241 684556.9523 7675787.232 1121463.19 361210.1198 385536.6575 393214.8261 265371.0152 372086.7724 201730.6651 6260464.482 363778.1787 4'-Hydroxyacetophenone 2035666.903 1143937.284 2499410.098 1425564.513 2032063.581 1732133.799 1718445.949 3282103.403 3479166.89 925923.457 1841743.165 4080680.216 4524106.499 3962759.114 12458725.65 2263908.876 2032339.372 2304844.093 14378035.55 2549308.555 1401984.115 5440580.513 1163608.659 1674281.939 2209612.289 3731265.048 1439614.489 1470786.796 2982568.31 2162308.627 2036952.169 2191464.651 3795978.06 2382440.581 2278701.691 2295159.862 593694.6576 1068380.539 1565483.614 2211226.991 2138458.443 2199435.68 5258437.59 2952956.764 3414012.718 1075849.636 1264507.62 1248915.862 3789647.118 2705102.308 2637832.069 2797351.518 1771134.25 3308725.319 1502937.113 1224222.88 1460523.898 2442546.084 1995035.197 1047007.604 4-Hydroxyphenylacetaldehyde 2035666.903 1143937.284 2499410.098 1425564.513 2032063.581 1732133.799 1718445.949 3282103.403 3479166.89 925923.457 1841743.165 4080680.216 4524106.499 3962759.114 12458725.65 2263908.876 2032339.372 2304844.093 14378035.55 2549308.555 1401984.115 5440580.513 1163608.659 1674281.939 2209612.289 3731265.048 1439614.489 1470786.796 2982568.31 2162308.627 2036952.169 2191464.651 3795978.06 2382440.581 2278701.691 2295159.862 593694.6576 1068380.539 1565483.614 2211226.991 2138458.443 2199435.68 5258437.59 2952956.764 3414012.718 1075849.636 1264507.62 1248915.862 3789647.118 2705102.308 2637832.069 2797351.518 1771134.25 3308725.319 1502937.113 1224222.88 1460523.898 2442546.084 1995035.197 1047007.604 4-Methoxy-2,4-dioxobutanoic acid 10788954.81 6345644.044 13143970.54 9305410.653 19709297.58 11457357.54 15118453.87 27617194.79 17712965.09 1800622.123 8415797.85 24464728.51 6580645.115 6892001.315 15625342.09 18738478.76 22880658.62 19669372.51 25710036.45 6712055.949 6474001.995 8053615.145 8300160.889 2495701.74 4054963.899 21199413.08 22404028.83 20122150.12 19354242.8 17501327.01 7682170.447 4419447.292 3810568.673 7411885.803 2895183.994 9154582.503 6296454.196 7063917.692 3816651.915 2445373.358 2415581.167 4352376.306 3890079.643 1784934.501 2862551.793 3860439.468 2861415.913 4218040.211 1990236.464 3691222.065 2205996.719 2764012.973 2617878.648 2323024.587 2649965.848 1863391.882 1636176.891 2343377.436 1992002.949 2531307.053 4-Methyl-6-mercapto-2-(methylthio)pyrimidine 1128396.955 1226466.159 2526313.676 1134754.769 1234337.594 1297149.615 1696291.301 3119427.975 3075766.723 1712426.91 1745987.576 1492525.843 2414677.301 3853266.302 3474271.695 1491158.049 1476495.076 2016484.639 3674927.209 3344186.682 5085626.192 5838671.769 4196992.007 4855371.613 5564184.636 6291719.728 6221938.919 7005129.24 7281609.97 9167359.248 1684312.193 1388723.028 1486640.65 1307782.608 1520379.735 1432102.378 1633340.734 1121935.836 1840282.772 1371122.835 2193885.427 902985.9528 3236552.987 3282373.666 3372349.645 2398436.795 1846075.209 1627985.997 1571368.97 3104098.954 2856967.417 2548643.814 2396056.149 1593521.325 1577839.809 1967498.365 2916843.463 2538184.045 2814937.883 2420918.948 4-Methylbenzoic-acid 2035666.903 1143937.284 2499410.098 1425564.513 2032063.581 1732133.799 1718445.949 3282103.403 3479166.89 925923.457 1841743.165 4080680.216 4524106.499 3962759.114 12458725.65 2263908.876 2032339.372 2304844.093 14378035.55 2549308.555 1401984.115 5440580.513 1163608.659 1674281.939 2209612.289 3731265.048 1439614.489 1470786.796 2982568.31 2162308.627 2036952.169 2191464.651 3795978.06 2382440.581 2278701.691 2295159.862 593694.6576 1068380.539 1565483.614 2211226.991 2138458.443 2199435.68 5258437.59 2952956.764 3414012.718 1075849.636 1264507.62 1248915.862 3789647.118 2705102.308 2637832.069 2797351.518 1771134.25 3308725.319 1502937.113 1224222.88 1460523.898 2442546.084 1995035.197 1047007.604 4-Methyloxazole-5-carboxylic acid 19146322.02 2779305.038 11154963.26 3349458.418 9580348.614 23964884.04 14316840.93 23780398.37 7949884.928 1892949.495 9728861.433 19303454.49 14197434.97 11223300.57 8517437.619 9823450.707 15768511.11 6141989.716 12275734.99 3614819.188 1906490.396 6859636.028 2983931.132 2894765.556 4038024.811 5932155.085 6413517.156 7351716.991 3208812.352 2248205.743 1857448.253 1822631.319 1121799.937 1205771.643 1696537.478 1826363.95 1723777.102 3347159.605 1490681.818 1593880.738 1417454.198 1708489.35 1566716.383 1010735.545 1403972.509 1219918.956 1563432.687 1788936.927 2268648.018 1045180.654 639382.2613 1125704.117 578632.8937 782164.6324 1007950.131 860615.5428 502139.4429 1747133.148 588586.1526 581805.6258 4-Oxohexanoic acid 8067977.991 18251814.16 8390558.345 23576936.79 11002853.52 7478368.89 7431316.453 6679201.846 8113957.705 7399870.451 8983422.75 1886169.929 14099265.97 6586007.866 5563507.254 7625661.235 9673806.835 6032450.866 8095411.667 10807022.97 10472048.82 16489702.82 4291847.156 4527893.66 5131620.916 3930494.627 5872027.134 5420519.973 5189780.304 4347755.363 28324497.08 17404491.72 23355011.9 38200136.08 18057578.07 12866180.77 15076633.67 16270555.68 9050099.545 22443727.18 7002570.77 51286839.7 10587485.31 11250140.53 25430390.13 41957472.32 24725286.16 11729357.45 11307203.22 11250166.28 12482301.35 46702834.15 5789134.729 5216716.784 21152576.53 13054577.89 36260750.93 13402710.46 13827129.65 25198396.2 4-Phenyl-2-sulfanyl-3,4-dihydro-5H-indeno[1,2-d]pyrimidin-5-one 2966618.581 875718.8112 4872486.305 905495.1946 2532366.963 4287321.577 2885500.63 4527854.744 5845236.972 507330.1412 2149119.262 3034722.012 3937614.926 2917558.268 2822128.986 1541631.457 5268290.572 1997306.725 1427373.616 1515176.339 609792.8343 1837223.595 496329.9653 927733.4745 837106.1101 3142924.088 2724270.198 2450119.042 4225546.633 2379186.521 2683698.378 2899077.526 3077366.644 3834704.796 2948695.958 3035236.145 2689704.382 3227576.999 4226436.269 3323382.414 4030119.583 2728068.482 3662156.266 3253100.672 3949048.485 2616457.345 4147109.889 3971874.48 2588704.481 3786468.52 2657395.304 2297621.418 2970296.114 1936323.855 2240278.854 2347846.417 2476641.38 3086574.079 3544522.044 2782501.247 4-Quinolinamine, 6-[(1,1-dimethylethyl)sulfonyl]-N-(5-fluoro-1H-indazol-3-yl)- 1202702.953 49655.17576 1325567.873 166591.7941 5333397.517 1113268.973 1230232.519 1140395.662 2097251.718 38074.88011 816086.8624 928425.6374 469512.8614 1710306.788 1996283.846 761284.5784 2133324.622 1426923.561 1035599.469 100988.6488 80477.82588 56171.23768 52482.76174 114958.0213 116631.4947 318760.0495 388750.1811 265860.1669 372929.6714 284760.3133 1331891.987 1035996.141 2037024.279 770910.6393 1675422.224 657509.1937 1460481.807 280113.3725 1587622.271 1815010.661 2993430.588 1083411.117 1189446.193 2040902.918 1193154.852 976576.8044 2182188.548 2116442.219 840197.7738 2075150.64 1466335.716 882282.4409 1475461.909 667051.7923 825773.4557 295360.8789 1849573.917 1295660.24 1549121.153 1045537.707 5-(2-Chlorophenyl)-1,3,4-oxadiazole-2(3H)-thione 30123494.56 37220262.37 27598457.33 40537656.48 32804719.31 18055028.35 30186281.97 28511484.44 25440080.48 44860076.28 30413853.36 26696972.4 39876168.95 29758210.87 38591374.05 33813419.32 18634439.75 25332944.94 28262450.71 33338557.72 30385203.83 42022175.12 43923508.27 34965601.99 36285791.43 20848777.76 27828373.8 36629097.27 34698678.91 28971449.12 8715657.968 11999856.26 8852424.981 4848619.93 8436183.037 9809448.895 7842976.723 4980484.995 4992333.042 10530562.07 8538731.484 8663951.395 7472588.808 5672398.118 7076117.368 8554006.186 9815155.33 8729159.085 8103632.57 9913174.909 7726986.022 7972231.073 8437743.013 8254538.863 5893588.002 11403336.4 6372467.174 7685552.657 7561296.751 8806806.801 5-(4-Aminophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 2527523.987 296755.8633 2776720.714 382765.5607 1934551.806 1197369.355 2008847.095 2998820.232 3190204.487 209372.0551 1692935.105 2254833.318 1155435.81 2409906.852 1263591.05 794647.2602 2200081.458 3348689.813 5169176.298 513157.5493 532191.7927 676302.1023 413489.0864 371150.5698 846004.9021 1993301.082 2416707.074 1369520.743 3306202.305 1167433.994 546805.875 318268.0035 149900.2708 299783.7519 308118.9517 635935.0689 295223.063 634244.0683 181618.262 434956.9404 404482.2693 165001.7292 201619.9903 111934.0887 71920.70172 215230.2515 430180.1524 145450.706 57811.20376 208654.6151 229267.986 147033.6238 120783.9433 154418.0441 206371.5269 137671.0933 48198.29885 94125.08632 34441.91708 44502.8929 5,10-Dihydro-10-phenophosphazinol 10-oxide 43345420.83 13463454.88 37027806.81 13254082.57 42557858.88 45281262.78 31038268.15 50780353.56 48390785.9 11106146.28 35891009.45 43904204.49 28693197.49 43251987.4 33854867.98 23549134.83 38038407.73 43765166.51 44508150.51 12889191.73 8390651.032 19342486.96 9691449.824 7654281.986 11720139 24983382.01 26785697.62 16233038.03 30966528.33 17232123.77 26367678.7 24025595.87 19250321.38 20369691.3 22949174.56 27351619.47 25475042.41 34808244.88 27518031.02 28808431.29 20745026.56 24104230.9 8682183.517 15176210.61 19532026.45 25192022.44 25815515.94 32570981.97 17525981.2 9400670.241 18655754.97 16177279.3 16318482.69 15456223.37 15716112.25 15187899.27 13667881.72 21768985.72 14367309.72 12868628.82 5-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 537572238.3 151746436.3 456970639.7 163380368.5 524414179.1 507822191.4 272606426.7 458009488.3 710090270.4 49860140.06 281664668.1 502934941.9 137647709.5 310497451.9 451360425.3 237051053.2 469670499.8 209987309.3 501068670.3 157679201.5 223559082.8 306843728.6 122253778.4 217694922.5 228686213.9 482248307.9 436139856.3 434441024 415048006.9 178853297.1 73115573.19 80610714 27382762.98 50011239.69 95509755.38 99070560.96 100740588.1 17000403.61 108705080.4 86305597.76 70911408.58 138831797.7 95710501.01 84862685.7 119957406.9 109775931.1 126039906.8 52182687.34 103832330.1 87805458.95 99926671.65 67935128.88 77492518.42 93883035.66 97966971.18 83029721.01 96138917.14 103955693.6 83306190.51 56737014.12 5-Aminolevulinic acid 928700.0296 4262191.814 1058412.208 4430320.341 821289.4824 791976.9793 990737.3726 1120446.17 1435284.8 402712.0955 1009181.995 1018788.233 1349946.966 1297822.012 1242745.868 617855.38 996834.0866 912281.5397 1984859.781 563876.4178 596646.8488 788178.5746 562028.337 657590.6522 1237697.561 1252355.004 1255318.682 1076244.144 1361810.914 802685.1773 736195.9542 533543.4284 207006.2664 7373792.791 636123.8852 255529.9347 257886.3955 309714.8398 189814.4883 387843.753 523091.4782 233958.8898 1011861.845 893872.4249 987973.1064 383767.0977 496206.8061 512718.6698 678586.293 1385467.463 688288.9506 785619.1517 716036.9611 585735.9498 692493.6579 543379.3888 659727.1541 1074435.31 812893.4234 732532.4115 5-Bromo-4-fluoro-2-hydroxybenzoic acid 6486662.864 5882122.015 6600941.345 5711883.626 7230239.049 7695351.651 7133448.114 6278730.321 6260100.981 3702725.548 6042242.03 6285834.213 7265659.072 7391699.011 7757409.133 7496418.642 6578447.562 6090557.637 6668468.799 6997487.061 7033180.141 8436598.489 6058415.578 7511055.067 8121519.998 4037633.464 5134600.915 7742916.259 7648292.809 6753458.048 6425246.388 7271224.354 7262330.737 3823956.939 6115329.202 7126823.539 9588617.615 5565328.774 8741804.208 5415980.972 17094620.91 4474033.368 4177334.324 10253738.49 6693900.079 7074917.23 7036717.885 7503528.424 6227864.474 4044444.033 6883396.148 4704485.153 7815149.704 8056201.817 5180866.561 7886781.122 7375518.97 7146114.527 7101594.224 11587739.21 5-Demethylnobiletin 563579.7571 2737396.89 897555.6946 2464683.777 967391.0612 1111107.051 562080.8012 1244426.293 1209721.61 2309141.583 458456.7894 1344636.073 1918137.139 550040.7065 1205360.549 1247451.837 408391.7395 846196.2913 1077100.649 3857891.69 2903680.007 2941455.01 3654734.229 2459411.278 3446132.033 1223736.628 1079322.878 1329753.707 1817079.133 1542233.605 2729745.007 1843488.429 1832756.882 1339503.135 1397063.105 1614818.917 745029.9844 1971316.132 1142564.37 947287.1889 934456.9225 1292207.625 905656.1933 796603.1291 732635.1799 1293264.083 2054587.373 1932264.009 757171.4039 766997.6668 520988.9396 556487.3968 697634.8761 731981.9521 552386.7169 637397.8707 631811.9389 552022.2929 571247.1701 613032.0483 5-Hydroxyhexanoic acid 734945.9606 2039894.567 1525740.139 2250170.431 445810.3108 2461009.047 620910.4806 785756.0199 1420456.876 1009088.572 834558.2469 1662178.358 2246086.895 1123562.875 2027700.528 2320285.612 1024139.5 915102.2936 3887429.221 1551618.646 730759.3385 1588687.07 896061.9523 1513658.11 491038.7143 768570.1108 544827.4465 396191.5004 653043.4696 302696.4722 900884.8348 1079411.924 1229671.98 1243645.129 864650.046 1424476.311 1110219.615 842096.8581 805388.4729 885803.912 553493.0653 1549467.505 377245.5195 607249.381 628410.6086 1036218.854 905082.0982 674877.4367 456031.3124 365970.171 468384.8541 415970.1758 425105.5012 458980.2014 429192.6264 493129.8483 437270.0216 394918.5534 456674.5933 392783.9853 5-Hydroxyoxindole 6669514.502 1301091.449 10539360.21 3412338.862 6414856.819 3599518.669 6819112.21 7739617.914 11866449.02 1255519.802 13135543.43 10816959.25 4659794.321 6748991.472 4779106.454 7459638.831 20345819.65 7156243.715 17899377.37 4785040.911 2156116.463 8764916.885 2245486.103 5079785.051 3966339.322 12707823.94 11732520.25 14869549.74 11064733.37 12399672.71 5081659.39 3936759.757 761938.2431 3038205.541 3907821.292 2369954.103 1954304.197 3997067.562 1597028.931 2236079.482 2659240.307 2391507.975 6594618.174 5231286.18 5139121.316 3278011.195 2275258.04 2586117.648 4521265.026 4321044.368 6247398.959 5591341.545 3913261.99 3911406.722 5292021.067 4764602.005 3354137.349 6066696.122 4404045.688 3050471.185 5-Hydroxyvalproic acid 9331846.876 3403236.332 10308193.44 3742248.41 5551357.47 17272358.28 6065717.604 8498839.734 11061327.52 2383461.926 15306907.78 19513236.46 14298426.24 8487013.503 5278782.713 5182653.754 10656359.56 13097535.27 18085177.86 3704973.556 2328143.88 5863476.237 2333794.307 4536232.975 5705933.23 4007894.288 5395314.379 5293501.147 5687420.3 3071321.998 22030000.84 27293701.21 55516432.78 49465321.36 21649019.22 43191823.12 29144319.54 39813090.31 30888712.96 16913060.9 13622503.07 53520552.18 21294737.31 25234605.48 24302912.72 32009100.98 31770643.67 32323744.13 9287344.431 20007575.95 17305560.99 10498041.83 18505494.93 15056233.33 16419226.3 9657763.191 11816463.11 8513219.397 10710341.72 18847509.59 5-Methyl-1H-pyrazole-3-carbaldehyde 4804262.182 4531085.322 4599738.174 3142123.947 10530698.06 7699367.31 5405426.297 6021623.079 6092894.414 2147943.446 4825145.573 5278221.485 4760265.591 3546038.703 5005662.213 5369636.251 6396333.423 6658638.456 3305575.711 2708866.608 1401979.884 2798464.299 1704896.969 2847126.925 2833980.815 2970409.276 2044157.139 3864668.353 3949190.782 3752504.793 6943694.516 3324707.047 3329133.592 14903625.86 16170426.91 5220785.219 3058777.488 5178465.011 3242814.428 2900840.054 3085284.16 14817311.43 4328763.748 3500823.864 4725879.744 3491394.665 6410695.385 3304296.01 2464557.464 4504981.964 7964752.152 4606099.896 1802633.393 6529157.911 2981483.43 2433164.222 2777570.369 3787784.745 3288255.923 6930775.064 5-Methyl-2'-deoxycytidine 4946032.306 124311.8004 20486530.96 114541.3454 10031986.17 58285750.03 4124766.849 6874133.473 3263532.951 143991.2922 8845488.83 10004549.32 1036646.912 2044591.009 5114811.289 4005937.138 4875074.353 4225849.004 4592871.918 586995.6712 1203918.968 879665.5813 171561.2242 1278532.782 1831969.641 2762057.027 2191997.561 2148278.399 4501819.03 1916170.508 2188087.561 2853912.581 3287967.518 1902815.286 832513.4216 683298.8292 667084.3889 6507034.422 319503.3513 266630.6167 2239508.806 635147.4629 177445.9226 1529074.815 172827.6994 686168.8983 326242.0797 2889605.859 59357.90292 131377.8598 1938613.782 206114.9712 1531837.61 2056186.679 1889564.641 111229.6166 2358731.405 1330236.182 1790180.329 2195313.124 5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid 3668211.352 7796944.119 2879151.243 7038073.945 6897730.163 6470045.492 3457334.966 7981258.355 6760022.469 11367520.38 6290283.146 3605270.172 4642758.441 3414591.291 3864102.211 5206135.859 2971435.547 2780339.52 6599145.068 10918428.82 7619407.845 8638089.106 4654173.784 11549068.9 4500603.903 7218463.517 2754356.942 3375250.026 7004057.939 3368878.216 759856.794 625761.931 519875.4051 516819.4525 693999.0733 676981.0476 481403.6401 442934.5216 403369.4611 644152.3166 485013.8465 266807.7058 545566.8588 606514.062 508897.2163 638211.2141 594491.9882 536436.214 548272.9746 506124.6929 707340.1026 343076.8972 281295.7363 630365.0293 1074199.301 879075.2256 777057.6072 487999.4517 711180.5897 878694.0214 5-Oxooctanoic acid 3070967.792 1817061.962 3133009.954 2264932.177 2647421.599 4909076.823 4828066.524 3499392.303 4413549.657 1539824.824 3612168.539 3213048.708 2979046.686 3617178.019 3278414.005 3682597.342 3990836.905 4196738.527 4358706.916 1213655.084 2860233.626 2652129.622 1578721.489 2237701.752 3743283.541 3557773.276 4058771.139 3936289.083 3218253.649 3830548.899 6676226.282 7543700.175 6642273.192 8497511.145 5434294.357 10337902.68 6376869.207 5536228.252 6588550.227 5150387.261 5631192.128 8189006.979 5898654.33 7108197.491 7140761.763 5963487.719 7119071.711 5919537.962 3287609.978 6030156.87 5881273.088 4895586.572 5740472.236 4332392.473 5392662.757 5594388.479 5913262.913 4274888.74 5653075.689 5832254.128 6,15-Diketo-13,14-dihydroprostaglandin F1.alpha. 9102185.227 7572683.149 7075554.264 5891691.728 9106586.96 5453531.857 9451849.798 10417468.9 5843566.568 590807.3105 5886696.83 11392617.25 2423838.047 3953276.93 5721368.021 8080838.602 7807864.261 11377545.97 16866515.09 3123881.172 4454389.311 6405700.774 2082608.782 3469286.793 4690358.157 9108198.734 6509403.389 5143097.136 11137822.29 4702881.542 12262272.69 7978170.654 2747168.251 2007969.693 9780425.957 4007375.152 2861679.011 5242935.517 5572482.385 2227543.761 12103272.44 3004306.673 25424107.74 33415998.97 22352139.15 7143754.652 10606417.79 8507899.111 2603876.626 14448395.53 5778976.487 6320784.255 10854161.37 5965788.315 2886839.391 3456512.814 8090943.981 5961740.622 7729425.668 4819021.5 6-[(E)-2,8-Dihydroxy-5,7-dimethylnon-5-enyl]-4-hydroxy-3-methylpyran-2-one 14523786.88 9572891.883 26615383.27 5112256.488 5767956.771 26507208.15 20743688.34 21725577.22 12157058.87 3426076.271 14327482.36 10669296.03 4662215.418 8871465.348 20524725.56 14049399.39 16296381.64 17266376.04 25065569.89 71438186.35 9971708.459 23221872.21 3349260.489 149825535.2 29527281.11 14713862.85 10143679.44 72244568.44 13105822.9 13324291.46 14801996.28 5105626.894 10430769.2 13548075.35 7183543.799 7919499.526 4665106.804 10187595.95 4953932.336 12471204.51 9269042.851 6922349.872 13683514.29 9062313.118 4831556.355 8420370.543 8212116.555 4324281.412 5544007.562 4586693.011 5852525.493 6687361.28 2512737.676 4866003.767 10176249.66 7610495.434 3548154.329 4807825.32 3848798.195 12807684.98 6-Amino-2,4-dichloro-3-ethylphenol 2589294.883 4833498.098 3290360.664 8893543.483 2042558.21 2692482.354 4231265.686 4633564.671 2635717.855 6984386.642 1978990.396 3433610.297 4675026.535 3835793.112 3603636.058 3515123.38 3849258.242 1779931.456 3096815.16 5309968.158 5421105.569 7176372.095 5646789.462 5353288.09 5241350.464 2097446.807 3013799.409 2716200.394 3471205.777 2794706.554 6154697.634 3234734.051 859707.7643 209812.9239 4814594.699 0 492618.1623 362708.3133 237856.8417 405979.9546 3709522.639 0 6669154.79 26133038.39 9787929.361 3293902.18 3217885.817 8200200.899 980430.907 6076443.055 813890.6782 7313016.279 3821596.954 3830307.534 5418739.469 4973650.316 7102125.799 12011022.84 8437679.082 6309578.455 6-Amino-2-imino-5-nitroso-2,3-dihydro-4(1H)-pyrimidinone 5150837.57 8432709.452 5141496.251 11160267.82 6164177.134 7120251.339 17533808.76 5367566.359 5611271.979 7922292.684 5508807.704 17922146 7672873.676 7224698.95 20009659.24 16444681.38 16220766.02 6123898.748 5614664.118 9171208.075 8997850.638 15640634.31 10269417.1 9523596.769 7242670.142 7256780.473 7028890.101 22797204.81 7108381.209 7565373.154 389624.1913 517315.9939 515892.8569 555325.3041 471750.4385 717337.5391 703552.2957 341016.0002 645436.3289 601358.8879 558118.9197 727144.2436 341532.9915 410002.9717 402183.9449 550236.9852 1143469.028 698150.2027 370813.7283 602433.0631 417190.7256 381061.0237 673341.8378 431317.044 627606.915 400822.0265 612448.8442 1138541.656 462010.707 429241.7885 6-Bromo-2-methyl-4(1H)-quinolinone 3273963.154 7014989.797 5253908.494 2607403.811 29229805.24 36180897.45 45250658.28 4148830.887 1463137.006 8581316.102 32254517.09 3200399.544 5529352.793 4014488.632 4817109.08 5006855.611 3856973.861 2487651.68 2684794.395 3731280.668 3795337.328 19543624.96 8691932.728 4537320.739 22937052.21 3518991.674 33775046.66 3180508.442 1769086.857 2603151.838 3709203.596 1746910.207 1940427.278 3058890.462 1742198.022 2237527.697 1399413.248 1276508.009 5995100.704 4391970.382 2474415.581 1048513.426 3926236.103 2563535.219 4816032.731 1722553.563 2371627.873 5704653.896 3274341.884 3018680.775 4759610.605 1192170.196 3277629.501 1274812.899 2656182.063 2426886.039 2166692.831 2911102.972 6977262.486 4226585.007 6-Fluoro-2-(pyridin-2-yl)-1H-1,3-benzodiazole 80929677.25 11832643.71 70199219.71 13733353.36 45019244.57 49015162.39 43361332.68 73556235.84 41166808.77 11389084.3 48255174.4 53036216.5 25775123.77 31928106.5 23208375.94 28140333.2 33005272.61 43062887.12 68817035.53 16876630.19 11505424.44 17202626 14055611.42 9961196.384 21353649.64 46228161.18 63681158.33 42591303.18 71511859.25 57442709.91 20445942.42 20663670.77 14841310.88 20387368.52 15579185.2 25205051.22 18939710.55 30955606.35 16904606.66 14923762.13 17121985.09 20736024.21 11635408.85 11418378.82 8889692.603 18172374.27 29978314.38 19523645.26 9935591.288 10740100.7 9316700.526 10141039.68 15162887.13 10149828.78 13875847.85 14190622.74 19904584.16 13769314.23 14454705.72 11900162.97 6-Methyl-2,4-pyrimidinedithiol 392480438.4 30592196.82 128902457.3 27157411.34 155716.471 141620831.6 76278279.82 109323721.1 101388062.9 36437941.18 73397698.17 114426272.4 64795617.2 93022843.39 70813089 72944654.81 120217467.5 109481206.4 97108702.07 49369737.84 42561437.6 13932164.67 25575072.56 18520472.1 62796307.73 111890947 132750778.7 133289769.3 112899741.9 94823982.31 10680415.83 11696201.97 11981109.72 11061645.37 12452419.39 11528720.49 12143345.97 8783923.017 12844536.83 14136357.78 13283747.97 10775785.76 7761298.263 11289024.4 10848426.62 13464743.2 12613390.21 11252426.95 14687158 12540651.11 15217155.16 14994299.42 14491603.22 14384741.37 13981072.26 13871003.68 14018639.36 11301518.07 11540060.54 14017805.11 6-Oxocativic acid 2536021.754 1774385.572 2391275.259 1828471.286 1666659.657 2021776.819 2452861.301 5560799.314 2089547.973 443419.4581 2278125.028 2413312.81 1589466.61 2910237.951 3613393.32 3865397.823 2371591.516 2688522.273 12497728.61 1589941.135 8039438.473 11628975.1 3286947.07 11825054.4 659075.4775 37807528.1 40509023.19 17519698.07 15389202.67 16982380.5 997083804.1 681553586.6 661271509.4 419524778 938905534.5 448977700.9 443310292.7 983651020.1 739259268.6 310464169.7 1330140897 460663641.7 2317400933 2820763894 2497288497 913226268.5 1460244557 1319871009 270443294.6 1710767099 903003592.6 978386062.5 1511858100 751076656.2 436329044.3 388560749.4 1130688684 1020278831 919371101.3 762112184.9 7-(4-Fluorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one 1462939.589 986991.9494 1001184.63 1047736.58 2310142.578 1985287.445 3239018.732 2644933.737 397612.4953 354754.8836 2565907.576 6316203.431 1442089.491 838730.1916 5614031.493 2461516.956 2784937.477 4754759.755 14562843.19 1156673.173 256290.2376 1682311.675 239250.0472 84126.76127 77496.67373 5912554.654 1445370.698 327269.6605 748484.0583 1040458.737 2275989.895 1203509.79 398071.8832 0 2838600.862 43994.3871 199664.0084 1941717.271 368542.5326 593651.421 1029937.96 417687.902 4257651.081 7310399.272 5907588.397 1424953.512 1978949.643 403075.1458 1193049.368 1863965.658 1464062.498 1794030.2 1192906.973 2175294.19 4202576.85 2790484.121 2838463.806 4374872.466 2329030.327 3183139.777 7-Ketodeoxycholic acid 79728.84508 5161911.624 776399.7914 433641.9932 14534638.54 6749738.944 2723354.394 5123010.956 319044.7889 0 158746.5203 23167534.96 582166.5808 301358.7459 3058099.956 2977217.807 220240.2082 12679.91504 6368405.605 1095626.076 15568605.13 1195207.513 2068903.624 705413.0052 5830128.37 18579279.58 303649.27 1916383.668 20227150.29 4288378.214 96403.71265 592333.6548 251712.856 178690.0472 176925.0818 230573.5564 83034.615 1367998.376 52764.98326 0 79203.53574 524634.8543 142496.9276 593423.1245 920742.6067 213962.6989 223624.4043 37560.96972 669454.8431 74690.0234 620177.705 606075.5862 782852.2353 392037.092 376769.6548 672197.472 310304.7464 878300.2805 362706.8848 167696.9711 7-Ketolithocholic acid 1990408.757 87588.60757 1740148.219 1603378.857 2218007.66 1578972.721 1664677.028 1752641.794 168295.8911 1389744.466 166542.9638 457849.5428 1310369.796 947432.8855 22915670.06 1538436.38 1715519.957 1969924.877 67911576.71 1454666.059 12574951.19 3419760.464 1932629.113 5687337.25 8512564.865 7053269.957 2030386.018 1133704.996 7680882.726 3821701.863 1096810.745 2045458.114 1026641.12 1251372.337 1085776.704 2263562.251 311262.6489 1414425.054 455957.4609 688420.3875 698695.6189 1141542.759 1266130.787 1787300.059 3046304.569 964160.5119 1269232.705 776564.6973 2988595.356 2976471.903 3092097.104 2572037.869 1838707.79 2249917.304 3554067.155 3067855.471 2804310.975 5901447.652 2394900.77 2627850.722 8-Geranyl-7-hydroxycoumarin 33538142.08 91711753.6 56033816.94 15862576.06 29386400.42 69124812 47437353.59 35075516.29 39476678.15 12880240.6 85341959.14 57051670.33 52892155.86 80311392 56052710.77 43389094.83 46797591.51 49695683.17 83983794.25 73064349.98 23704802.36 36352068.33 22782192.49 26797800.61 39461698.99 34238468.33 45469023.02 81734995.58 47326807.3 66078578.76 118432999.6 68755293.54 60126340.4 29195032.96 47409629.45 224579246.3 22392627.05 65783062.67 35059000.58 37271765.78 32149396.66 57260091.63 19548789.96 185168033.5 47404607.42 160839215.1 87141341.09 43452540.25 47487584.67 53254823.88 57249768.05 69081377.14 18622018.65 27026130.51 73443918 18058595.88 68149735.52 45781061.15 44060999.94 69121958.78 8-Methyl-2-(trifluoromethyl)quinolin-4-ol 172487.7837 480280.158 450148.3035 448580.842 177467.6135 232218.2695 250508.5072 754126.2098 501565.684 937894.3141 271869.5439 185622.802 502594.2078 974648.4334 941517.1848 255914.8732 194531.3917 254644.3492 663067.2425 1329519.016 3757341.91 5626727.539 96441.83102 2629721.483 3136155.849 4287707.316 3938830.085 4803124.126 2182373.603 4167440.939 202910.8249 224612.1847 294007.8447 216592.2977 243517.66 250209.6892 283493.6558 126032.0413 301451.7179 219614.958 372872.9696 148982.9806 146966.5091 603008.8827 551496.494 398312.8476 340428.138 272618.6838 258709.5973 507775.0293 549655.4697 493152.8259 486636.3413 273017.7601 251241.5779 326378.4455 130284.008 115184.3115 427247.5096 446348.2427 9,10-Dihydrojasmonic acid 156348.7041 380713.2857 396957.4813 406775.5983 357171.357 540971.8078 256937.6115 263730.7776 1293972.684 270264.4422 275463.6173 265355.1752 2912754.137 2941682.823 17961123.95 244495.585 433604.6676 126478.3564 6842753.524 1082709.507 1108809.315 2838819.228 504614.2587 3450622.726 1296052.03 1849785.107 516957.023 889698.7908 1387895.062 1192947.808 4432718.81 4601611.272 1465571.485 1550910.913 2187428.926 1929071.949 846117.4833 1472446.911 701516.0359 1197757.608 872029.2317 3583196.12 3292449.617 5520187.679 5902192.378 1476260.368 1412830.409 754881.395 2018934.537 2174142.947 3254197.703 2369899.012 1976686.458 2859804.031 2558960.757 4503162.861 2357831.011 2810167.654 2919552.559 1774599.216 9-Hydroxynonanoic acid 6031993.018 4179274.426 14107891.9 5621655.258 5790780.381 10388104.16 10619246.47 5468891.158 12031497.41 599493.7032 5914371.33 5244239.889 4498557.453 9426743.698 8966510.014 5585098.177 7685828.621 4907493.239 9203949.326 3626980.283 8661341.238 7301596.316 596771.9731 4735604.564 10590096.16 5323407.253 9060576.506 5138777.361 5437826.818 5819097.887 8582004.252 4913090.793 6965844.689 5517772.059 9077546.171 3805668.323 4538303.412 3995369.047 4347443.305 5713410.135 3159316.291 2942312.529 2582464.61 6026129.897 2435052.753 3800783.334 3048160.954 6798912.056 3188183.1 2816943.376 3702103.006 3631172.293 4685994.867 2751422.413 4085612.983 3979923.834 5373718.465 2426062.312 2862335.007 3528659.892 9-Oxo-10(E),12(E)-octadecadienoic acid 6495784.531 4878180.82 6586458.451 5039227.316 4467326.637 5182486.312 4119743.241 7764550.187 4130288.616 1269395.669 5516257.53 3858396.096 3554987.772 8725563.021 7010794.417 4905281.373 4075915.658 4359631.015 11405809.66 4671960.552 22154290.94 17449931.52 5529737.684 17545729.85 21164353.87 10802559.18 10541310.86 8085377.759 14909161.14 7439324.631 19655381.13 19429356.69 13441552.05 58201244.91 20408082.17 11797328.15 14202026.51 12793385.67 13771884.73 7128334.281 8683563.576 27919576.08 25450732.92 35839649.84 36741789.41 18038359.2 20210267.9 13318306.85 12857848.67 18903668.6 16554445.06 20820179.15 16825961.58 16568055.91 14254084.28 11795475.65 15512731.55 9822507.711 15213625.86 13981708.34 Acamprosate (calcium) 3109308.501 2004570.64 19610334.73 1441925.754 4843190.763 6821487.6 13652196.07 47485054.47 16001412.66 926310.5703 5964621.824 29893540.38 21712574.07 20237657.44 33748715.22 15694671.02 3584671.841 10468213.3 118632105.6 7675834.97 9372385.421 31296403.66 8384982.27 22092184.17 23883910.94 55398383.65 12644808.84 12711173.43 44097842.38 26750017.85 12993057.39 5090215.56 3333273.542 2553602.779 4280327.834 2065358.72 2023219.389 3056405.967 3058374.152 4174190.539 3530411.823 2286915.489 7151261.798 7761142.116 6599455.229 3982205.191 4535754.546 3006924.971 4491305.154 3491849.925 5282362.567 3324513.061 5408214.142 3438461.373 11397523.87 4035660.832 3764631.714 5308152.959 3599294.493 3981484.068 Acetylenedicarboxylate 1550617.068 1436699.592 647227.2369 1461940.824 740389.3088 1461544.058 1547877.806 909870.5462 1742171.5 1275656.393 922173.5032 1642990.278 1681868.748 1764427.647 1597740.778 1200376.54 1515702.138 1552750.495 1903327.905 1435748.556 1566995.9 1502890.316 1429732.413 1530476.799 1473676.524 1668957.212 917125.5783 873600.3017 1541023.676 626402.1404 774715.2608 683287.4319 673382.5379 738311.377 746956.1751 212323.3444 807151.1795 686523.2885 127957.2963 751130.4598 804423.901 177363.8008 759528.6649 727860.2535 157019.9415 170059.0427 701267.1045 149134.8973 785890.5272 854544.1172 746607.5729 179322.1989 172064.9477 232376.1022 854916.3441 134805.5521 196282.4345 163443.1068 721021.9932 823495.5785 Acetylglycine 8471128.021 1596436.727 4635557.044 1781306.194 4378252.647 6999341.5 4211181.43 4436998.055 4097771.02 812537.3639 4396231.858 7470445.513 2680136.114 3214936.781 3071591.915 3355036.268 3905834.513 5121546.941 9700118.202 1005877.997 997565.703 1737394.767 1043858.505 1251807.639 1464930.848 3707611.2 2419183.705 2346810.249 2842653.632 2179570.927 4273427.194 3887817.829 5050048.992 5061954.647 3459583.715 4121605.335 3279462.068 5185420.984 3887396.199 3221637.173 1850293.433 7923766.128 1587592.96 1653080.745 1715956.499 5389629.73 4481187.23 3266328.601 2276374.969 1593065.719 2608544.738 2023880.452 2102472.172 2256807.776 1962623.948 1804488.83 2070024.056 1587480.376 1293735.937 2075574.027 Acetylleucine 3210907.736 1105146.76 4063367.465 1440008.95 6364247.951 8499529.391 1799029.951 4797210.531 3272173.678 699214.4688 1685047.941 6508850.043 3184403.97 3389429.412 5358847.582 1838411.275 1671769.704 1530549.392 11353457.11 909317.8327 491926.6914 2368646.108 517295.1096 1764589.944 878450.1719 2340182.813 1457466.95 1128816.999 2795758.178 1639205.392 33972809.86 18784481.19 9173452.568 11885683.74 18703042.4 9787079.709 9138871.847 16531565.39 13671364.7 8768748.603 12114829.49 13103819.59 23273212.42 23105190.33 18723275.91 19645561.86 13345435.86 11185698.67 7369037.611 10480081.7 9384065.73 13896899.43 6634602.337 7564929.709 15427032.18 14079644.55 11062811.02 18603421.5 11920058.35 7773175.272 Ala-Gly 5081344.718 1847822.671 7711955.627 1495841.515 2326471.72 1729720.089 3958356.963 4244787.456 9691001.177 1738264.474 3684972.63 6218922.059 4726021.539 5270512.265 8307781.292 4996998.025 4195552.856 5331218.531 10797053.24 3430659.242 1566238.298 5392851.331 1652213.137 3531095.171 1891319.832 6935008.667 6686714.972 4010966.811 4868105.053 2981322.009 59175480.12 50728306.3 44257233.77 44798041.4 50441887.87 57240342.77 53815318.95 62495529.58 57363964.24 52848360.74 54977138.58 47882809.45 54220051.95 50716038.35 45452579.53 62668313.79 57446333.69 62792201.65 47371443.15 74621209.93 58549406 42350934.68 50282108.18 35815282.19 37526236.3 39127218.18 45416725.12 51928872.6 48390227.15 34361234.73 Allantoin 402341826 58835044.19 133758844.1 69174913.09 106410625.6 146446158.2 81114894 111142132 102242562.4 25294380.67 75929638.18 119193743.1 62616096.82 96202888.26 71452997.55 73943678.84 128099195.8 110250127.1 101908757.6 39347742.03 36729889.85 46378957.52 46401111.54 27917749.04 63049730.45 115862829.7 134024862.7 138903623.7 115132937.6 97139280.37 1085350319 880091547.5 640831258.6 759459596.8 777766602.6 837628125.6 499684178 1209832159 533738460.4 492371046.9 647761000 569368702 430713912.3 476045521 418464294.4 503524498.2 687978255.7 575554884.7 502991062.1 398377469.2 556323130 478842661.3 450736342.9 522447921.6 437256923.1 412572361.5 438934386.5 377959349.5 419653736 346262219.5 Allocholic acid 2329926.676 5440005.387 7236578.012 2239045.009 82388549.86 122863429 13004474.92 8563026.848 10749008.78 1086043.177 5361548.181 13128883.45 4895092.763 3512980.682 24883592.19 16792921.13 2632674.189 5793609.032 35111220.95 4571163.316 47172553.38 9680624.629 11277884.21 10814182.55 32490360.87 41918180.77 2664441.351 6386009.028 92893602.27 19372770.17 1278910.566 2605763.223 2592932.321 1262526.129 2011518.15 939499.1132 877100.4658 21553666.75 936635.3548 1422541.681 2594019.361 760542.7465 6767040.685 7235498.727 16021478.58 2962361.643 4682110.07 6959684.764 3538191.051 3950011.848 8584571.128 13184141.12 3797148.695 3113625.093 2041966.872 2593385.859 1507773.612 5700334.572 1876754.527 1106860.486 alpha-Linolenic acid 39083491.97 20430647.64 57056512.22 23588627.08 72583159.28 95470454.28 38763150.8 61667257 64852623.62 28049766.06 65999428.5 50288905.78 63945170.57 168855421.6 125001579.6 39236597.42 44610762.2 45648064.61 130189483 62498566.47 52266988.32 105244200.5 55050216.7 128275476.2 165567634.2 115211327.7 112839984.4 100824999.5 101642047.1 125097569 259719042.4 239810575.4 168013692.2 128367029.1 280361037.8 146349144.5 170462994.6 105387024.9 189512729.2 84219171.45 109999812.7 185044426.5 394817856.2 416419164 719614873.6 208947562.3 191277896.8 120926127.2 275296133.8 353789448.5 315622285.4 383251706 321674596.6 333429914 244757234.3 217309681.5 281906023 161170650.8 255254703.2 236813643.1 Anacardic acid 16108476.99 13272323.55 10851014.87 17282198.63 11137745.58 11222825.75 9906730.113 28512218.25 10331609.03 3778619.079 11757328.81 13893992.61 9396540.82 12332689.48 8560362.978 10013328.42 11669429.64 14719927.23 18277558.34 13824822.86 37712785.13 90198414.02 23125694.26 53815704.22 35566691.76 172671515.1 223248837.2 117209006.9 49897051.93 79344907.05 16040710.82 10277328.38 14395025.07 9252068.817 4411818.483 9182953.351 8468251.055 12971124.83 13726654.97 4846640.662 15797132.91 11366975.54 42896090.27 82920412.45 48197520.67 15828914.13 24549418.51 19653264.89 4998782.723 51339934.58 15403062.49 14241767.19 29106864.2 11341423.12 5481107.6 4082138.554 16358127.35 10655375.65 10027842.74 10802896.58 Arabinono-1,4-lactone 66118345.47 8687438.337 58283188.9 13916827.41 63063083.88 42102909.47 51902740.08 60011231.26 77078402.8 7530534.593 50965046.64 53473188.7 42060150.17 46152904.31 41204896.67 40509215.05 52901202.8 63530419.79 57169359.96 13602166.3 10565518.74 20670551.79 13619728.4 11805150.78 24883718.17 48401111.9 50646225.49 41761043.79 40271648.71 40605870.63 13927426.58 3686545.992 3788241.954 10691777.55 4118761.593 4861330.323 6455281.221 3454591.724 16394442.41 3719146.467 12802984.11 4580101.33 16153282.88 3179161.557 3483749.914 4125808.688 14644475.34 16208988.8 4265827.409 2753004.073 4330318.434 3997977.538 3569672.867 4125309.375 4329334.961 3972599.704 4356029.588 3795545.393 3952045.726 4738622.896 Arachidonic acid (AA) 2153107599 1072048653 2080626174 1174036465 2370560171 2578328094 2067118678 2385249947 1999158124 937473078.9 1680893075 2203085477 1790741973 2277745774 2187703877 1579640234 2308761913 2045767202 3671016943 2322923393 4225059041 5659827540 3668446347 3402395477 4286939830 10170187531 9859052238 9993508181 6167233310 9688001909 710457704.9 648553063 512825354.5 727666072.2 601187985.7 670158193.3 717173646.8 484037426.2 610641358.3 654181528.9 910512428.2 733187949.4 707965838.2 289424112.6 495511636.9 714427032.2 652604604.3 522255918.5 1085327192 1208566906 1407226830 1402143658 1195472004 849051506.8 1072642930 2319261616 1847942788 1953037850 1429658811 1689014250 Atropic acid 6557724.791 1001013.951 6844358.95 1601353.047 7221144.033 3813821.938 5368232.346 5673553.135 10569744.16 524095.9843 6166622.528 8125355.882 2920522.8 8045241.827 4505111.864 3992816.301 8233877.062 9923624.111 6786944.938 995152.1703 677939.402 1972967.654 760117.6026 1071316.231 1402748.526 3978078.161 4324952.753 2994456.375 3118929.493 2718505.839 1083474.527 1102316.901 855104.3709 872784.5439 931092.1611 896654.2503 789406.936 1287084.917 741122.2531 590190.9288 914068.0339 1104328.981 1219307.639 1295369.478 1246647.095 690341.8394 1016249.366 866829.5881 403765.8684 929862.7831 520042.1099 646834.0092 611732.1181 456426.8823 780314.5248 752037.661 819055.0889 1219755.267 926802.5436 590533.8415 Avasimibe 1806847.192 129613.0381 23361.74965 213374.1162 55275431.78 11199093.11 230526.2452 189532.358 930122.5662 57141.55375 10900584.87 19438151.37 86159.83579 223307.2614 214052.7899 2755387.108 280046.588 391342.6306 91450.35515 152604.1395 237390.6715 794805.3988 0 324041.8716 222333.1073 279139.1886 217252.7156 212766.492 131970.1595 243596.5396 1986369.524 2589358.193 4196519.285 3897078.956 2158792.589 4371677.655 1936137.747 2740192.701 2653934.709 1709491.778 1449710.638 3811700.273 1038432.528 1412321.547 909285.9969 1980895.49 2217686.842 1700947.544 2176550.843 2459623.799 1916389.548 1152690.803 2044284.822 2085597.476 2687278.645 2808256.932 1650807.986 1680302.071 1860593.323 2349767.341 Benzoic acid 14485632.94 12281016.09 15277206.41 9784657.714 11255236.34 19845915.83 12594242.4 13150455.47 15445755.61 6652438.177 12718700.92 14748198.08 11818179.1 15756362.84 36680675.8 11704393.73 17266484.23 15680347.99 12979580.91 8033689.879 11070112.12 9836596.659 5723990.378 9992009.775 10052924.95 15235464.73 14896943.4 14344751.3 11525923.09 13899793.87 36340847.34 35067801.99 32202785.21 40210179.57 33149246.38 50542241.53 27977087.34 25592027.28 35781421.47 31951089.17 28384993.85 24532273.58 37560456.96 33631713.48 36090492.12 28399518.18 33465808.65 32018881.74 24240293.33 28315645.52 28577285.44 32213281.5 24888289.23 22220639.48 32326169.02 41931215.42 31787751.68 24465584.5 33581346.03 29920076.46 beta-Alanine 145096490.5 42033519.13 136734228.9 52764995.41 145868946.9 148478886.6 122974629.2 150302948.7 218890330.6 32962024.4 132518070.8 171898444.8 124167700.5 190406214.6 148160097.3 96901041.96 143265279.3 185221976.2 279684387.1 64684473.28 54579787.4 79462331.29 52060556.42 47014788.47 78701626.41 201514340 214680442.5 179282286.9 198138527.3 100642025.2 30539202.54 28953045.09 18020859.75 23319756.87 25159194 29166901.73 21534997.81 32103671.78 21123158.06 20255816.28 26548071.5 19648227.03 28245511.72 23660867.65 22639982.03 20078979.82 34688822.07 26168065.71 17357503.47 33389203.05 20045192.99 20334750.37 22002807.38 16825767.79 25020395.98 22848930.69 25682597.71 32943175.25 25114361.67 18020972.3 beta-galactosyl-cholate 105081.3808 41478.34922 80158.69398 437664.123 948634.8906 496715.6253 132037.8968 524165.999 18916.4676 220201.8187 0 372618.4041 812142.4863 246508.3955 4578599.304 46613.64148 233988.3949 122991.071 2274692.092 1859096.256 6402957.542 4982862.13 1838939.493 1830299.586 6322819.121 797334.983 141438.746 270978.3236 568072.4761 1063066.104 756558.0974 1010299.506 17830.67325 92563.02116 902098.2118 1042080.141 0 162585.5661 18890.67072 28268.8341 125212.6195 268110.3167 665677.8232 956869.1466 1587770.274 492974.9903 447146.6915 0 6866463.401 2432994.819 4499401.702 5889073.893 3222305.598 4963527.484 4839569.649 2745890.213 1724968.88 4425857.192 2211447.719 1572192.136 beta-Muricholic acid 146033.4573 2303764.55 825262.8227 893257.13 10468782.22 15373105.18 2389658.352 1338115.49 1089089.49 189088.7565 411209.4543 6209180.568 5310670.203 1962480.763 24586408.73 3804409.34 542838.3084 680574.9808 45049728.58 6005717.768 41483527.88 17898695.37 12886168.56 6294734.902 32798879.31 14913830.72 2296127.802 3638815.865 49205300.49 14269193.59 1278910.566 2605763.223 2592932.321 1262526.129 2011518.15 939499.1132 877100.4658 21553666.75 936635.3548 1422541.681 2594019.361 760542.7465 6767040.685 7235498.727 16021478.58 2962361.643 4682110.07 6959684.764 3538191.051 3950011.848 8584571.128 13184141.12 3797148.695 3113625.093 2041966.872 2593385.859 1507773.612 5700334.572 1876754.527 1106860.486 butabarbital 2952699.379 1320531.395 1764559.396 1569766.583 7926547.778 6129112.005 5882064.453 2874400.676 7044473.953 683503.5412 2721409.6 5216987.317 2363331.465 5210442.42 1885059.399 3556996.96 2398688.044 1516566.975 5466059.678 1473567.605 1072030.651 1109420.866 610175.4245 2737200.166 1117743.833 582966.2237 427099.2518 604262.6957 2482180.203 639970.3837 2236571.099 1962753.307 2027007.015 1733935.683 1749781.193 1504911.569 1362608.044 6261933.954 2688005.884 1730259.992 2162612.386 4360520.092 1827500.221 2158082.763 4541345.015 1669038.673 1770668.247 1773656.137 797409.7859 1598624.799 1180652.825 1122558.855 786687.3181 645023.0921 1313550.339 932780.8134 1072359.146 1074394.573 1054569.415 720527.3849 Butaprost (free acid) 78161.97437 7732.469638 0 14955.8669 306709.8864 291068.9426 46172.89384 56543.11767 0 0 152059.8235 527789.4803 67963.81622 16978.234 519179.4325 72191.58722 0 84677.07717 622099.6014 15569.2662 85079.7951 45464.49732 15021.20329 96995.72751 917522.1371 1811128.088 154271.4267 369030.2035 745758.3449 193795.9393 337972.0161 223916.4845 347706.8128 155760.9164 263855.389 61781.61165 102725.3066 456434.4033 102002.7356 132339.5562 336795.3211 174114.6604 507101.6659 444783.3624 1001115.142 284546.4491 278828.6403 307474.6102 135993.8096 518017.0706 331780.947 725481.6469 213024.8127 84876.05723 367293.6387 567299.8656 445457.004 769974.8414 345265.2547 124505.9862 Butylated hydroxytoluene 2959802.648 3915973.481 2893478.645 4610644.517 3313796.752 2964917.839 2808547.607 3251314.571 3015639.921 2832528.149 2974962.437 2940817.54 2880952.857 4082209.667 2875992.196 2925464.062 2840786.994 2981348.639 3016633.633 6050377.644 3068948.075 2849740.764 2937876.478 3159362.465 2844957.782 3005775.962 3122687.693 2851979.872 2935289.516 1477911.219 9451076.014 9163687.664 8855169.126 9772979.94 7860585.84 1749456.54 9404904.929 9409068.495 9525446.376 9103609.015 10789276.84 9644034.778 9236875.11 11180714.76 9585174.828 8555113.276 1111358.571 9062176.533 2584522.504 8717460.959 9605259.756 2480398.138 9796443.156 1477942.085 9836881.225 10825396.95 8980930.667 9334945.907 9096648.011 11415946.13 Butyllactate 1907050.84 1566699.809 3429073.492 1744082.188 1684954.763 2693451.795 3816950.181 4422337.687 3225468.724 429403.4663 2041726.905 2188892.389 2225661.062 3014727.345 4907879.172 2517893.371 5279833.759 3370573.06 4416318.317 965101.0192 2247369.589 1831199.778 1102283.466 1928362.811 3247881.606 6521303.021 3779403.038 3016454.957 4772711.412 3779579.19 3654034.458 2615658.598 2069753.519 1339293.731 3571333.955 1544765.368 872707.3129 2046794.057 1631614.394 1949043.689 2180807.845 1512126.374 2258267.628 2864318.918 2135816.82 1298970.681 2420333.931 723628.202 658364.5057 1996679.21 1030032.168 1818420.459 1446964.742 1454048.369 2492819.266 3076361.018 1912673.417 2643637.766 2074266.402 2271005.787 Canrenone 72820939.1 188098057.4 144724202.2 39486943.73 58527485.86 158000134.9 185135906.9 97533969.38 84767322.46 23872568.66 168410711.6 111542961.1 97536331 161106121.8 130321685.9 91858557.9 112038107.1 129541660.3 150632863.7 142329593 40895099.74 81923530.65 35760756.64 67301615.59 114788162.6 61053939.55 84364249.73 105976178.1 99179862.42 106798376.8 250527444.7 74826354.01 152601143.2 63524872.62 78416160.5 463520533 55226626.55 138968962.9 78324549.53 72574949.22 63833700.5 128187768.4 50100005.79 142994889.3 105144377.3 338808514.9 188197745.9 80230383.72 87222820.95 108614338.1 110236528.5 106756963 31377694.6 45641978.81 142811609.2 32123465.16 84350732.52 87189828.21 90981228.21 133960487.2 Caproic acid 7306461.542 2387426.966 7198296.182 3323108.948 9708372.298 6809059.908 6630387.194 7863314.097 6236299.155 2178683.08 8094936.75 7456221.132 7425059.816 11662800.92 17501007.16 7887906.135 9983470.356 6724588.673 12740702.42 2629492.431 5444780.723 5013636.309 2270946.819 13266779.67 14620450.55 5112429.02 6701434.298 7259226.39 6145445.789 5475617.266 13071831.46 11756000.87 11747180.95 9186044.127 14347265.28 9031762.686 9809191.402 10167532.67 11049075.77 8616433.582 11873114.17 6861299.296 10267498.68 8275798.121 8578412.368 8595861.291 7554578.332 9210979.637 12847633.28 8708678.715 12668810.12 12341316.99 13072905.74 15303098.62 14235482.91 13645093.8 13201135.08 13119492.9 9671872.022 15195032.08 Caprylic acid 13266501.2 5568616.339 14809527.72 6880240.621 16186674.54 13928619.69 14019946.17 13306985.28 10942155.1 4006717.423 14160028.04 13350150.16 14304095.11 13098515.22 13396969.44 15520814.7 22370906.39 13125815.05 12765264.46 6195604.465 7466490.826 6249205.863 4642641.466 8951578.846 13916788.38 7080112.418 8500892.028 9909542.491 9097110.955 8550545.626 11146578.94 12989711.82 14774856.06 13137057.45 12045364.53 13750147.84 15186966.46 14039915.94 15790374.74 14670434.74 14008611.72 12530667.36 11188425.75 9932958.484 11051569.27 11108205.48 10893539.41 14353205.62 15423752.71 11211136.84 14518734.87 13874674.94 13545493.62 15733470.32 12804799.38 15036442.89 13266703.75 14192765.32 12123367.42 15018284.95 Cholesteryl sulfate 164800381.6 78382991.81 246791503.3 71232374.55 656256813.8 523171865.7 242624359.1 358614083.3 234108461.2 72344119.97 183242329.6 250831395.6 166191719.4 261531089.6 310257422.3 258828422.5 164711508.9 411154333.6 496243996.9 226094837.4 662820968.4 503150974.8 187176880.5 359005710.1 544986647.5 823604652.9 1171793122 738115434.9 520517775.8 781391770.5 2540089659 1651821255 2607477337 1589907175 2147815412 1067419229 2041991267 2728676739 1947546633 2464482227 4161982516 483440368.7 4739939235 3694589598 4877286706 2762000328 3566781992 4420192927 3070932661 3467409378 2648862319 3273400894 2700292159 3905475441 4196184734 3970742497 3908328125 3401560758 4110213832 2877373009 Ciprostene 12129421.01 8717951.918 10793436.31 9039016.111 10747665.47 11200345.22 8323822.222 14691009.65 12544633.76 9669083.498 12005539.44 9052550.997 8835612.451 11232515.76 13684431.77 8233340.865 10168164.99 11309138.48 9311360.978 11049101.11 17700654.96 32075673.06 12865108.08 23569549.81 10177834.77 25832933.91 31625540.86 8063589.134 4856477.792 6894027.188 348295.1164 326052.9891 249027.7377 418891.3078 219357.9798 424871.2756 296631.111 342907.9528 186885.8775 285103.6401 246085.9187 365497.6716 452166.2669 464922.2293 307304.8919 335083.9383 304743.1946 346271.076 272532.2814 292768.7154 457716.6552 432379.3579 273056.5198 335867.3202 274944.0248 264021.4479 339988.3589 261886.9903 228145.2837 354030.6294 cis-11.14-Eicosadienoic acid 149455881.1 83685029.99 127504757.5 80984298 118779008.1 114762052.6 113555293.5 109023566.1 112518251.4 62875655.03 119955231.7 137587949.8 111828715.4 136932057.7 91078095.92 96033041.56 138827975.1 138963504.9 134181389.7 94404483.49 114055726.8 145290339.3 105389503.7 112972187.9 116209737.2 183252147 200681785.8 197123159.4 143385106 206296724.7 76512354.19 71476004.64 38258679.8 37027374.6 44199785.74 68383354 53590873.52 62296553.73 57907278.59 20429783.53 40581205.99 80431529.61 169394720.2 109550828.4 86795048.12 40859298.01 61832277.69 35496402.14 85836474.75 222657821.7 185575520.1 182137778.8 133061472.8 107152259.3 42020495.25 95683175.41 119926601.8 74322560.49 125058779 103729743.2 cis-11-Eicosenoic acid 93477651.01 56946206.1 89136844.81 54795352.03 60992385.92 86764133.56 73013192.31 83714728.34 120772184.8 68612214.47 118861039.8 89599433.64 87563140.36 177068477 84408484.48 62964888.36 78646221.28 91125789.3 101939736 68573262.7 65688608.15 119721450.3 70469458.32 113290528.4 155792443.4 135631177.5 151332356.3 144767406.9 97394275.3 141694655 134671148.6 136614643.6 142271277.9 103309606.7 144085035 113574741.4 120402002.4 227430247.9 123147447.7 66423631.31 128518458.1 103465605.4 247599909.8 189554682.8 257385044.9 142444013.6 166292406.9 131686116.3 223754865.1 238673110.5 225805507.1 194522330.7 159330627 295493166 127236196.8 129470764.3 152725063.7 77763209.05 160892839 130795867.9 cis-4,10,13,16-Docosatetraenoic acid 4234318.25 5073499.754 5240236.013 5316501.903 6079477.282 6026553.204 5293425.286 6055083.525 5187889.426 5218696.121 2100240.877 6043393.693 2693422.854 11735898.26 4677252.673 5785605.462 5041231.023 5963674.573 5900903.088 4665423.84 10015793.37 7985050.776 4732943.638 6308672.213 6482182.75 14154250.45 12412925.03 11435626.05 7233928.936 10433628.9 79259028.38 73645610.84 84384757.76 79950675.97 85933310.89 114319532.8 129343003.3 45444706.97 67221455.02 42283502.23 45871.80583 108028408.5 156337440.2 90878440.43 132313508.1 58996112.53 110897119.4 66033273.95 143815370.2 196171567.7 158769451 161120650.1 163439313.8 111157642.3 68752067.84 85899191.85 108736297.1 61077006.41 114445183.3 85286217.94 cis-9-Palmitoleic acid 242493690.6 105420536.1 259161471.6 99338098.39 258369579.5 347508155.1 181819712.5 240383395.3 330255432.5 205947933.7 296016313.9 182281890 567134847.9 808784280 408647211.2 166060421.1 225693900.5 217373451.9 795297314.8 465383979.9 299753284.7 740078881.3 354671410.4 659631056.8 1017393614 849977143.4 832212693.7 739034933.1 551181159.7 816589685.6 280844014.3 345541460.4 361060801.5 346046242.3 473327286 386385125.6 451023764.8 385430365.5 485229961.9 225001933.3 188754868.8 428204707.7 706799335.5 574099390.8 658465714.1 434727110.7 353717877.3 419247705.2 397699613.5 469581996 517750519.5 532429022.6 460742108.7 425831593.6 369898970.8 330050065.7 467521253 174027337.3 278548994.9 539624781.4 Citraconic acid 309972733.2 51917895.68 202365540.4 63569329.36 206247463.4 196850787.6 237953820.8 289268248.4 253687063.8 20916408.56 160006077.5 171686687.9 182936282.1 221571042.8 113529610.4 186007019.3 243973437.6 302749655.5 256459272.9 97482800.27 35282351.81 90256181.35 32575366.71 48127088.88 78484196.84 227936509.6 240146035.1 205453169.1 209568167.1 183338182.3 10042042.77 12125210.65 13525942.96 18223696.06 9272691.986 25996161.72 9338065.903 22572439.06 13457536.31 7101619.894 8050896.172 21108450.37 12964009.48 7291358.769 7830408.156 12040984.05 10839382.63 12027811.23 10112485.77 12318586.27 8219228.59 13934782.3 9191611.447 8214279.358 8208040.27 7275040.796 7751594.086 8216676.23 6700645.479 12712594.22 Citric acid 5995451.814 2471627.292 6004621.879 2196080.518 4552246.137 4659842.525 7558598.543 6693700.535 7309656.266 47059165.08 5969615.84 7529314.773 4884151.769 32208018.14 5021433.323 3082969.799 5973360.491 13113937.4 10948691 3146110.342 2688886.254 2835421.841 2174894.181 2449189.168 2374150.079 6614763.54 9429765.002 5171049.146 6675904.119 12663491.28 2818860.099 5632100.966 2568522.872 3415700.608 2232499.124 3074225.579 4739131.399 1847547.534 2889820.498 2424416.752 1890412.207 3888363.578 13712235.06 5001733.68 2128020.389 2219759.181 1870282.722 4307636.953 2226693.432 10153739.15 1755261.753 1749334.747 1988540.318 1711449.328 1770053.076 8817519.371 1566921.79 1520646.498 2924168.78 1884550.801 Citrinin 5665812.522 388074.5017 5145154.178 645683.4841 3539401.139 4669847.353 2894271.74 4738255.512 5012327.132 210093.2858 3467595.668 3453710.369 3194094.575 3557393.605 7171228.413 1650821.743 5076986.643 2555617.328 4652633.394 338497.7827 382415.4041 1142344.485 356626.3662 629888.1568 1288256.743 7417041.383 9294706.177 3676121.364 5544103.455 6077387.131 3814596.802 2837783.475 1903590.339 10806354.87 3043572.703 2840290.072 2770385.356 2967588.615 1593086.135 2135643.318 4558301.766 4078981.081 3763279.962 5416850.114 5050070.675 1804487.67 2677748.146 1952139.872 3404468.457 2564284.121 2213031.66 2992772.221 1770820.588 2875907.575 3484808.802 3742050.658 3059769.845 3905253.051 2862858.849 1624143.102 Citrulline 3888793.25 757281.9606 5040701.771 1295689.885 9098856.826 11984899.38 2814688.476 3839696.376 2303473.001 484774.5157 3233738.106 2419335.708 2670361.076 2682315.949 3327877.837 3798111.909 2107972.886 2404303.778 5934379.449 653961.2132 1010467.71 930791.5267 722466.3552 809859.3921 1150747.825 1831932.612 1461213.225 1680962.703 3057129.227 923638.0671 2645988.314 2295859.892 646985.8414 410382.267 2392310.943 190014.6868 344422.2838 1514860.782 243891.6912 1057915.68 2573080.156 203990.1575 4071104.942 4095154.93 3967808.37 786843.4031 1081523.144 2063880.673 2359984.666 4846895.124 3230136.687 3444159.68 1888084.464 2824246.82 2834622.742 2684394.712 2791405.73 5009284.81 2670075.221 1811752.537 Cortisone_acetate 169528.0168 28571.52357 349517.779 31962.42977 1806379.304 323655.4206 204658.1691 353199.2365 853031.1943 39428.40266 545928.0488 448814.5816 107332.3288 821729.0752 300690.7089 150062.9229 368997.635 367127.2338 895878.092 24041.63289 72410.85564 102005.3768 28762.39085 82780.81691 101102.3706 664371.9799 946572.5098 805506.3757 742426.4562 327750.0952 10778203.73 10281941.02 4184751.731 9036473.859 8288074.498 4156761.251 4340932.012 16314465.11 2969924.419 2631392.564 2527600.386 15777681.51 2399608.276 3069577.046 718261.2853 1759072.075 3608466.546 3780643.317 1314467.119 895130.8857 2393218.888 945739.8482 2459078.293 1947677.524 2133545.778 1558876.617 1675740.094 2497390.933 2086896.399 1530881.841 Daidzein 4'-sulfate 1737608.234 211203.3593 42204683.14 349109.4273 20355062.8 13278252.26 15292658.24 26033135.92 16073145.27 6430797.151 2079007.619 8952192.311 1520041.47 1344648.892 4264040.34 45520772.87 1058863.742 3815991.561 4074318.832 425477.7811 11237491.97 814934.0108 1271872.393 1270183.002 959968.1409 4620634.552 6520198.799 4665368.001 1973901.82 4631378.511 99869639.98 81795441.42 19637786.05 8038480.911 99245938.84 6912466.091 20501951.7 16787360.42 9289300.159 36840707.52 41496323.38 2116914.592 140643696.5 104931602.9 120727824.6 37578331.06 34376321.26 26992457.2 26435446.56 106567823.7 58003917.3 85085977.08 54068822.71 69323548.93 110111214.5 128209125.3 112670495.5 217557452.6 115467742 81006124.92 Deoxycholic acid 665042.3281 327192.7573 1388450.11 31951.65544 50713460.36 8228107.205 988118.4687 2701529.967 4263223.657 239471.3441 2882068.78 31424992.38 21040079.25 14524758.72 221322042.2 1552376.29 374592.4105 150391.6101 186245519.7 1641933.247 107947036.6 6207806.709 1812063.402 4680678.72 109177591.5 69146809.93 9398240.157 16172823.74 37873399.85 53760512.3 3638929.43 4687649.368 2733097.558 1970179.998 4131129.93 8721598.308 442774.7161 9221797.097 657908.7594 769181.0831 1096223.204 4401802.732 3112813.031 3930599.807 7218952.428 1933277.018 2215190.315 339841.1189 11920909.75 8557025.14 8475389.688 10802280.34 7365827.408 9418440.753 12101034.58 6974669.91 4034417.3 20169140.9 7190076.729 3677849.452 Deoxyinosine 20928866.86 5344343.17 10045268.78 4751592.932 9071578.48 3268714.456 5117291.109 4500133.793 6909635.853 1235550.011 4846468.475 10164291.56 3633388.235 4795442.662 6712297.391 4287301.28 13657002.78 5439852.966 14034047.44 3137288.339 3558018.758 3336924.623 1700747.703 2049010.07 2807046.248 4845844.454 4200001.182 3285495.603 4923865.276 4905667.257 466707.51 1210723.529 92819.13173 848114.0444 996418.3478 1443304.627 3397167.247 529049.9842 2401315.587 1311853.512 672237.7017 2613437.278 493258.8533 481086.9246 419199.5893 1066630.461 1085727.36 535828.2607 514898.7177 439231.8461 184452.386 46159.368 515375.5066 538570.3406 67912.27665 484162.4004 548255.1007 1457117.767 131513.0604 507894.8287 Diethylthiophosphate 4321668.765 2129672.912 2465143.257 3044044.055 3513733.274 1913325.389 2149074.263 4063777.986 2257851.006 1266166.435 2712882.647 2859279.549 2545840.369 1300813.558 2413266.681 2218599.289 1690119.651 788788.6406 3391521.049 5047948.494 3339842.747 3834157.015 4263333.538 2487196.975 4265634.51 7279296.527 3939779.637 4636666.916 7372096.743 7287158.669 21765681.58 21151013.84 11953324.59 10377160.04 22099406.57 16496204.63 12232097.32 22505659.17 7122837.257 25315198.2 22681216.16 7836186.897 27652031.55 22734358.56 16261770.24 18483282.41 22744420.75 22825338.81 10535842.26 24562716.7 18441464.18 27514447.2 20303280.03 25781257.37 17760363.14 25984953 26179712.83 16674926.25 24695508.53 28572389.69 Diglycine 3015557.403 956431.5074 3261685.514 679722.4334 1931106.954 1812652.305 2343711.808 1782653.716 4412639.894 438105.4142 2041167.002 2873432.07 1970720.865 3164074.848 2561641.671 1873353.914 3170977.298 4706763.827 2916573.147 1348119.088 1184731.206 1350445.037 975790.001 1101930.746 740944.4049 1890290.447 2390620.001 1669038.225 1529948.033 1679651.904 501959.8629 449871.9081 986709.6558 718991.6748 395510.4789 383405.5486 603264.0351 877535.6081 496875.1452 804849.7705 814346.4323 451704.2054 442187.445 466376.9616 412599.9477 266921.5446 361136.8966 1026081.338 403191.9534 388145.7407 467018.6664 399141.0313 401122.9105 359780.1109 399614.8811 420221.1692 455723.7056 430106.4724 333612.2269 399609.1642 D-myo-Inositol, 1-[2-hydroxy-3-[(1-oxo-9,12-octadecadienyl)oxy]propyl hydrogen phosphate], [S-(Z,Z)]- 1067175.315 472220.493 1819617.606 2272403.438 1200477.347 2491278.505 1232856.097 1411029.079 1743805.653 145495.9669 1870680.856 1431248.268 1261201.862 1096197.255 1537997.937 1007263.741 1016226.697 2191231.135 2313070.005 294052.1897 423063.9233 200393.7021 149517.4213 192627.0238 818501.9156 185822.5049 427138.0962 107622.8222 1256703.735 288026.7676 7775236.605 5845587.406 5449160.604 4528508.258 7090835.053 4476565.463 5326980.46 8786401.873 4736618.715 4168352.693 6192618.245 2617617.624 25089471.78 24314352.51 31052005.17 8925040.252 11324521.62 5207405.876 6563794.786 16439810.64 10398621.08 9374791.065 10465244.22 5654033.128 8041200.054 14934312.76 13767717.77 14968869.02 16638201.83 11546522.24 Docebenone 120851340.7 274931130.6 208564255.8 62218376.34 104431302.9 278359001.1 234755007.3 141357882.3 123896719.5 38318085.06 254072225.6 168146385.4 161588111.3 239582910.3 189503034.5 140218992.8 153995147.4 182304599.8 228760450 212475144.6 91864233.86 124255664.6 64407830.21 107258367.9 152853008.8 99754142.14 127373823.9 194208230.6 139875279.5 170526247.3 379244790.1 128056607.7 215939862.6 99136935.36 144563097.1 710925152 77196086.42 211538764.8 115619733.2 125431500.1 95365710.37 173739309.5 63918805.75 295479533.4 147066949.3 508485347 272263303.6 118097672.8 136634755.5 170545153.6 169210976.7 173143709.7 47324526.49 67137266.7 214978466.8 49961007.23 149520087 146374971.5 137646137.2 199444808.5 Docosahexaenoic acid (DHA) 76773670.01 46188944.94 82020984.93 64312689.92 113091287.7 127102666.7 71589719.74 117842644.5 60292234.39 18738080.09 72686855 119574199.5 46183773.05 92316559.85 81714413.09 69742949.63 102985802.6 65011822.62 81441787.59 33108011.14 67604188.18 169881948.3 68236563.59 73724249.05 135416397.1 130726720.7 432193006 419117574.2 186751072.6 353562654 1038989403 1254169707 1549231879 1836132962 1987230341 1690004770 1766605891 722564325.2 1592132384 676373678.6 884668762.2 2693595268 1122697718 807157962.4 992786843.7 1288514159 1552333413 1109226275 1105380690 1972985987 1637664347 1778491081 1547852137 1036946590 820619047.7 747935135.7 1162333340 882503390.8 1081627814 1006143583 Dodecanoic acid 11224708.56 7996565.828 13055776.05 7600253.623 19435674.31 14413173.69 12664450.24 13498252.66 12668223.47 5798389.248 18182664.48 13119038.9 14648559.05 22444242.15 13622743.65 13378122.22 15012788.09 15647824.09 18918623 8643014.221 11973099.96 11384774.6 5497162.909 19116319.52 29503656.14 4097133.728 2865392.53 3945443.648 8542986.612 4172977.999 3646665.111 28802126.49 26032955.39 29126807.18 22952812.19 24472809.44 26793959.24 25847921.87 31864552.69 21082696.5 14578517.46 34974903.76 10450231.39 13460964 14326585.99 21520225.02 16689331.61 17514218.09 28653803.05 15799958.06 22824479.23 20868046.23 26334673.42 40526745.17 29100554.39 20067127.58 22089409.43 16223978.26 18411197.41 36311317.5 Dodecyl gallate 7480300.024 5664409.779 13371777.43 2626739.572 2882438.345 12637857.08 16927507.31 11860426.31 6641661.976 1635488.311 6592664.979 5075286.278 1498836.091 4603168.703 10839961.28 6244338.421 8259226.724 6956867.525 8559256.267 19323638.01 3683445.01 7858683.275 882953.6513 52611385.88 12877132.9 5787549.782 4587993.438 11813186.07 3578600.157 3917794.204 8466098.682 2523656.736 5687803.211 1827541.14 2809955.261 8675362.302 1920893.274 4855027.778 2555942.395 3807243.361 2052254.066 3590593.955 5126730.425 4981148.62 3398683.346 3004094.676 2788126.768 2674941.05 3067971.51 3033369.962 2026282.234 2544035.928 930818.5972 1124319.973 3277957.377 585236.1566 2415704.754 3099479.325 1724882.955 3633253.363 Dodecylbenzenesulfonic acid 3121791.666 4565865.71 8803739.021 4266996.834 9302188.359 10574432.78 5205631.421 9441724.048 3431372.926 3916478.391 8882106.233 4151300.823 11446839.77 8822012.139 9547814.857 4457721.915 5193219.067 4758340.477 4264628.623 3933131.889 5602105.132 4556830.905 5337582.815 5525764.293 11619008.71 4660841.21 4151219.274 11007834.03 10236334.1 4206803.127 1064729.358 934166.4615 1097065.955 1017395.034 1161839.618 1053013.143 937510.775 989766.562 952693.2447 1048124.083 1197862.433 828325.0159 1004677.669 997114.1521 882517.1149 974606.2645 1016902.128 966954.1348 1074360.531 1128195.055 1150186.198 1026744.917 948637.7567 1082204.141 1135777.645 1076460.88 1158433.016 1085948.425 958655.6866 1077677.987 Dopamine 4-.beta.-D-glucuronide 1994787.823 0 2690452.839 114487.7742 11376130.99 1694287.673 2103525.994 3955257.983 6685192.984 103161.3078 1659742.646 2845415.599 1606272.255 12657623.97 6596124.637 1340895.661 3231485.453 2642459.574 5932225.034 117346.0282 329698.4306 530384.9097 97250.91092 193241.575 563462.0373 2975924.764 4361546.839 3016838.943 3452005.304 1512745.803 15383648.02 15378317.69 752918.6636 474253.9195 13740960.3 1767072.261 1134006.251 213425.3723 1615794.904 4135697.387 7164018.503 1205394.077 37227699.13 35006955.51 25347266.12 8148502.418 10108381.04 3645120.18 14731304.83 25810083.06 19282903.63 27902950.15 17076907.33 16053824.18 30123571.22 28934989.57 23891013.59 34688060.48 28820319.67 20060635.95 Dye X-27237-115 3183759.959 1291139.104 1831704.333 2134639.865 1886084.586 2670253.176 2036329.363 1555368.562 2334743.679 590968.0791 1427258.2 1618807.276 1158584.433 1629337.308 1288060.839 1045648.83 2920767.398 3231608.412 1067668.671 732818.828 581562.251 831591.1629 768007.0657 599297.3548 927701.948 1807201.717 1576927.952 1594845.359 1523875.798 1553606.386 2550802.364 2598423.216 2626277.676 3906411.77 2476543.323 3840109.412 2520263.835 3479642.841 2064226.142 3318025.893 2823835.414 2452005.635 2006390.375 1780201.764 1628904.994 2453317.763 3550862.011 3182162.751 2461160.845 2067094.218 2683914.43 2398846.686 3122275.829 2768473.918 1940360.552 1531473.536 1756100.818 1706264.379 1667963.314 1946803.931 Eicosapentaenoic acid 34893489.54 23648456.48 43160777.31 25883097.08 59948944.45 60292880.76 33922785.67 43488756.16 32111624.83 19536365.05 35866402.02 46453538.79 35028482.99 59783980.59 61803918.86 34783369.76 45701354.15 33131265.62 105273993.1 56634261.39 103306197.1 119309214.7 83448774.53 71667746.23 93382515.69 200682435.5 196705020.9 161508008.3 122248361.3 174948184.4 47964988.91 53158710.78 64462779.46 75023857.18 55310645.09 105717270.3 98335016.04 30792407.59 49284188.24 23217838.51 60706383.67 111743165.6 78318139.06 91301688.78 107062234.9 55672154.06 85404604.45 45636501.51 56167194.27 79172471.29 79175029.18 79086389.84 71203982.23 59462142.54 45627593.16 57039128.86 70064351.46 54588228.33 65908644.01 48406972.21 Embelin 40779955.31 61511543.72 66572273.38 75767292.57 51127032.93 58422314.52 62018276.34 58135647.8 161628771 13770846.23 39006537.68 82764251.36 43292807.9 46418781.61 58110953.63 51091517.15 86706930.03 130132672.1 76061877.77 46520345.59 31043543.58 49911707.03 38998735.32 178806166.5 58196288.7 36683765.67 38503279.36 52631283.17 32594521.67 33774918.73 18663728.03 8816534.517 18705787.29 9605162.784 12233475.1 13097678.24 16304752.47 14135716.23 9194813.164 15404119.79 11408834.72 8517813.963 14478707.18 13896155.02 9357414.551 13264652.28 12311203.25 8146618.974 9693257.933 6761071.258 8131013.361 8549026.297 6015724.184 6479484.004 7808331.586 7916257.834 9090421.705 4920049.418 8015357.808 10306597.63 Entacapone 3-.beta.-D-glucuronide 2166597.821 1729021.571 3768668.572 1660768.167 2066206.02 2189968.466 2993799.564 3837734.03 3197613.122 2088553.407 2904386.243 2549675.329 3586427.144 3513096.437 3395365.871 2860917.505 2513431.181 2827542.475 3422840.698 3361160.218 2631371.782 2765265.485 3626734.917 3970816.832 4435135.458 1689718.18 1798701.284 2230518.354 3395774.31 2163276.408 328497.6065 308598.3508 319922.0058 305710.6683 354243.0122 297335.0918 311632.1587 262824.1726 276628.199 283227.8489 442237.3275 253174.228 443647.2075 510392.7002 377546.0884 403331.2741 428081.1194 306006.2727 303618.7405 361282.3971 396763.252 413132.0146 429972.6423 333911.0234 338931.0462 394391.4596 416659.1759 382161.738 377409.8178 387641.4103 Eplerenone hydroxy acid 8968383.937 10459904.93 11958264.18 5360596.49 63452235.94 29870162.3 13733979.08 10862313.19 3985026.792 632752.1444 4564249.565 49720058.48 450746.9734 256741.4965 1736967.786 3235191.689 3530802.806 4076283.745 6071922.004 181737.1576 1256410.008 599640.5067 137253.2938 215684.3336 1311426.622 1970404.726 0 383463.0389 1693022.66 1360548.246 250532856.1 260346099.1 100088454.7 111404153.4 148719483.9 98597241.89 66606758.61 478465019.3 29733972.97 64055188.69 49355315.94 150568010 19406845.69 12708111.79 20962975.28 20149399.71 64989818.96 61775062.11 25094264.87 46897216.82 40483398.6 30966323.33 41641492.13 36970539.34 44135253.53 35527121.24 40742538.6 38798779.65 27694281.73 35256122.11 Erucic acid 11151839.33 11507650.51 13651905.18 14487428.76 5929242.014 9222425.463 11354374.05 10272591.11 13786145.19 14388499.94 10787686.43 13410980.99 14700815.61 17742205.66 10574993.03 8421350.686 12632529.77 13699852.81 17977043.76 23661300.13 28265388.03 43535217.12 26495258.55 21188157.94 36768605.11 64427545.1 75847251.01 77972859.66 27687057.57 66626138.07 9493355.664 8813723.959 22258664.83 6147971.951 15156720.39 14528293.27 13204083.6 27957412.4 8373304.651 5562605.885 17934242.32 3781841.331 14639418.62 19254570.67 19736129.74 12584154.85 18373745.19 18943360.72 21329922.3 6536361.959 13515576.2 8288662.809 9513618.819 30101937.08 10530425.14 8454467.832 7446672.979 1121963.736 12169150.36 5599455.322 Ethyl 3-hydroxybenzoate 7864987.907 4948780.768 20696134.82 2503964.249 12513100.2 14770937.29 7856908.663 12776773.46 7458028.16 468788.8373 4726746.842 8213658.05 5996921.641 5992829.018 10167225.49 13669993.47 5440438.016 2530846.771 38022972.93 1312659.239 3569924.318 10797259.13 941945.7489 8790841.897 1934726.16 2335332.339 2017084.252 1187301.246 2231603.585 1130301.92 50214840.12 41441472.13 24086454.4 36098065.2 34673350.75 25660080.9 17248342.12 31155569.86 19601828.96 13722008.47 18025320.19 33879915.66 30910919.94 29272467.88 27913956.13 20396495.16 29644718.66 14211876.21 33229762.95 24496217.12 41195042.99 29944461.8 18235957.95 29119458.31 26836728.64 33341952.37 26461080.39 28028012.75 37831098.83 19218080.13 Ethyl 4-hydroxybenzoate 7864987.907 4948780.768 20696134.82 2503964.249 12513100.2 14770937.29 7856908.663 12776773.46 7458028.16 468788.8373 4726746.842 8213658.05 5996921.641 5992829.018 10167225.49 13669993.47 5440438.016 2530846.771 38022972.93 1312659.239 3569924.318 10797259.13 941945.7489 8790841.897 1934726.16 2335332.339 2017084.252 1187301.246 2231603.585 1130301.92 50214840.12 41441472.13 24086454.4 36098065.2 34673350.75 25660080.9 17248342.12 31155569.86 19601828.96 13722008.47 18025320.19 33879915.66 30910919.94 29272467.88 27913956.13 20396495.16 29644718.66 14211876.21 33229762.95 24496217.12 41195042.99 29944461.8 18235957.95 29119458.31 26836728.64 33341952.37 26461080.39 28028012.75 37831098.83 19218080.13 Ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate 2660809.456 1210597.995 4298371.132 549769.9534 1483863.306 2850721.353 6136450.897 2998095.166 5104109.463 178208.242 2610970.649 2946097.433 1006068.703 2268619.969 410616.2541 3457236.078 1289380.477 8371061.898 1220523.215 1478785.65 2299556.431 836459.0567 436394.0475 1690777.495 1927039.358 1388219.162 3967409.896 2044953.715 1830945.873 6100544.317 4373145.166 3526940.953 2880204.372 4718821.022 3368395.992 4764295.846 3593053.768 4233313.956 4625104.312 2793213.592 2660451.178 3239588.039 4325940.968 1973779.444 5214077.302 3808159.775 2772981.058 1748041.654 5998763.281 2488926.756 6324584.867 5498500.775 6073736.478 4214724.64 5832126.402 2778966.448 2882263.763 2630682.19 2797861.65 3239578.274 Ethyl 6-chloro-4-hydroxyquinoline-3-carboxylate 9428155.926 6974114.945 7912043.256 7799668.619 8102088.386 10030974.8 8687913.664 5464875.46 5296418.874 7102592.789 8401772.145 7552915.063 9877567.399 5821928.265 6701582.148 11901791.39 8109649.909 5854079.5 3165823.067 7580046.358 4576525.296 4700155.141 7603969.136 6764116.504 7117879.887 2240999.881 2493071.607 3587988.569 5495429.449 4012972.577 259106.7615 313826.2817 194586.6761 182903.6323 235337.0492 157736.479 172703.4044 266402.3585 131681.1396 166518.5391 319618.7937 129313.0777 365207.3056 542181.5801 406197.4128 195140.9876 258266.8735 263330.5673 125771.4646 307286.0052 174400.7747 152470.5166 210658.5004 141726.7021 152971.3644 156366.3443 256827.7828 339365.2369 198877.8172 156065.1043 Etidronic acid 3035131.007 4662124.615 2984283.079 5211343.521 4737185.868 4815844.833 4354339.184 3407160.122 2914312.941 1640918.22 4866626.18 4145980.565 4897305.582 3344084.038 3082311.665 3768141.837 2975940.373 2755986.3 2780306.592 4018438.659 2443090.202 4737178.836 4954856.831 4193325.229 5251130.554 3590763.577 3743429.352 4820885.979 3458019.746 3420377.623 2022910.474 2168574.663 2046171.427 1989379.394 2167466.307 2043807.418 2290574.286 2189031.641 2307064.89 2100828.357 2081598.593 2337240.869 2210121.044 2128776.629 2071013.896 2100315.617 1863267.833 2371636.103 2036429.658 2083829.584 2374639.309 2378531.837 2120425.496 2127893.805 2245102.912 2320982.125 2244102.528 2098645.116 2064521.496 1991716.923 Farrerol 5536289.47 112847.2843 5460366.981 912082.2534 4389548.97 2074882.528 3239824.862 6657164.813 9054406.451 239461.1601 3874280.279 8106383.031 2484569.029 10026864.34 1415112.947 1209955.625 7600550.913 12190431.28 8268193.412 470766.3892 986948.2561 1074726.012 672856.3335 574879.2963 493370.5646 2511477.324 2494739.89 953206.4286 3257658.217 671085.0182 902640.6598 779662.7859 350028.2427 395502.5859 740890.5379 608341.4717 487072.2136 667763.2417 457783.4098 422168.7422 564090.9663 447912.9471 953935.5564 700103.3768 798082.8366 564007.4807 652306.6869 644678.266 488830.4165 1351488.622 737961.3768 705328.2506 669365.2006 467032.2026 606538.6271 612271.5437 513416.2055 1726482.022 598862.1973 410515.412 Fructose 1-phosphate 20208677.94 5542444.806 23013020.95 33498837.35 25164096.31 18056744.49 21284068.52 23243232.09 30874883.04 2208318.462 21646194.93 31029035.22 17113520.92 42329432.38 205563056.5 18777202.17 35308224.78 26034185.14 139888857.2 3670032.455 59841458.51 5471271.458 25481587.38 2939642.382 44897561.54 15647771.31 25015344.93 14182567.6 17676917.78 16389548.03 1535319.05 578108.7107 470177.2178 527042.7882 499476.3898 232782.4702 608547.3966 1090845.15 497622.5987 356059.6793 325879.1867 232814.6572 694376.5529 738398.1266 473484.1157 126461.8462 278281.7257 591019.9245 211961.138 481550.6377 160275.6891 210646.8127 248616.1122 371427.4079 216139.7127 200031.1266 357211.1821 429409.5459 214118.2155 201344.9238 Fumaric acid 37201103.37 8366272.587 47710494.62 9323969.453 48172624.85 53691697.17 42253899.55 84029216.53 57273705.84 9320307.27 34340246.27 49112151.56 41139957.82 37782889.17 31281180.71 32096822.7 28107208.36 28331324.48 56710410.46 19548709.08 15962179.12 17345729.78 9110959.862 12930857.15 25648714.53 39675428.86 46170681.3 32562578.39 47734235.2 33144509.54 1238623.277 1067996.743 892068.2608 891021.8737 971119.3819 763973.7474 757916.042 894115.2123 882483.7127 865417.8842 999317.2306 669185.2337 2743788.385 1826798.997 2574143.663 1011106.583 1276679.268 892509.4318 643649.656 1361810.902 1533633.536 1077676.414 805848.5165 920419.0028 787715.0987 544583.7302 708972.381 1411324.427 864071.1281 799817.5977 gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine 1070470.447 438301.6064 805869.3093 625091.5512 832293.7354 570282.2251 807681.8742 809064.5987 665792.5465 814536.2738 839696.8928 1022978.808 783243.323 838341.3845 1251344.561 669905.2941 1062109.739 1039732.701 720890.046 1386645.177 3758882.985 5697351.559 3090768.458 2707364.18 3174520.176 4449821.811 3906551.26 5047646.057 2260953.38 4185555.143 17005.63483 258911.4833 358524.099 293922.4277 287985.3141 302674.0249 352978.2876 182300.5921 384091.8801 291436.86 482079.0155 210377.1127 659143.5562 706988.321 35683.27847 479129.3249 431620.9642 342220.5506 320473.3098 589118.2262 633335.6045 617114.4511 590771.4728 309852.995 324183.1126 397131.418 663390.9676 500930.1392 517528.592 535648.7646 gamma-Linolenic acid 39083491.97 20430647.64 57056512.22 23588627.08 72583159.28 95470454.28 38763150.8 61667257 64852623.62 28049766.06 65999428.5 50288905.78 63945170.57 168855421.6 125001579.6 39236597.42 44610762.2 45648064.61 130189483 62498566.47 52266988.32 105244200.5 55050216.7 128275476.2 165567634.2 115211327.7 112839984.4 100824999.5 101642047.1 125097569 259719042.4 239810575.4 168013692.2 128367029.1 280361037.8 146349144.5 170462994.6 105387024.9 189512729.2 84219171.45 109999812.7 185044426.5 394817856.2 416419164 719614873.6 208947562.3 191277896.8 120926127.2 275296133.8 353789448.5 315622285.4 383251706 321674596.6 333429914 244757234.3 217309681.5 281906023 161170650.8 255254703.2 236813643.1 Garcinone D 2522408.005 3795689.847 3322538.798 15195430.96 60613456.3 18445542.54 7286536.269 8474154.991 1563702.054 738679.5931 4896243.337 17248415.57 341822.1462 0 327942.1619 33052771.48 1979185.345 1636939.953 1873367.994 586382.72 1458076.521 1056820.474 864234.7571 336561.0793 1220782.544 667278.8504 955643.52 0 884811.5118 2148860.711 77823405.33 95686462.44 54368418.52 84697133.65 93739086.26 92448375.16 56359723.11 180540090.9 136277486.7 76837930.28 72962775.81 138650042.8 26992985.88 6123901.244 5516620.352 78261166.72 42289616.5 54684320.66 31206262.91 22373256.19 50306146.18 45271889.04 68418746.36 34644108.61 48858730.97 62755569.02 79365130.59 38568772.59 36129985.36 75665177.93 Gentisic acid 603671.9184 497138.2698 3150318.187 151972.6566 1049904.503 971842.5561 1608254.156 1303452.537 1877057.243 523243.319 531812.0141 897600.8964 2694164.421 3020011.814 23926443.06 599553.691 1005549.773 456616.9153 25078830.32 311957.3919 445382.8449 1766317.209 481665.452 3086636.917 1051281.697 3532693.27 619562.9427 1268545.54 4107394.903 1564445.665 9901574.25 9966248.462 3067878.352 1073965.626 8905064.305 0 1647350.222 0 431668.4847 2285727.191 3046916.839 158138.2377 16357571.97 28468324.01 27141857.19 6637123.313 5801949.86 2156126.298 4596791.72 11390614.87 8993230.015 7725897.396 5869161.979 5759397.227 14538011.62 14566828.17 12142370.78 15343306.12 17829018.3 8256861.646 GKK 1032B 17962107.86 10540833.33 12096779.88 22135078.02 6245468.211 9165383.575 12506591.67 12180371.45 19409755.53 4153753.662 12807384.96 9081549.242 13199710.87 18851453.31 22220661.4 10520940.07 20009511.15 15668993.61 23172412.83 14404246.63 15697057.5 8207569.823 10212361.45 12749643.22 15784267.92 8677306.925 9552646.001 8193502.322 19158086.95 10700724.87 57675847.9 97800165.88 93306681.62 110993748 84825182.45 106112276.1 150408491.7 122102550.2 69219880.31 49056865.14 43132579.2 201270945.3 73740527.44 68745351.04 109314022 73525458.42 114219025.9 78619304.96 81202581.58 123356618 93814560.99 126819319.3 111670696.3 95165603.06 138897390.5 95038972.53 85772034.19 51917069.6 76333036.28 65893684.72 Glucoiberin 69373.46263 5808.801065 60104.37328 4826.924082 28654.94899 20535.48797 27581.26881 53688.01728 104341.5616 4348.735049 46972.69969 32944.78292 122580.5358 115016.9261 81727.42247 18278.32473 60199.28857 37429.97658 138637.8802 87347.87241 342170.3125 829885.1282 318371.9421 263072.9187 321310.6271 928772.6975 1377870.922 865466.578 452309.442 874778.3816 125115.5268 143822.6953 89488.75772 73752.30394 103575.7843 142465.2143 76699.63461 141086.6523 31506.20835 78154.33976 95559.63781 62072.59463 103760.974 117563.2899 81929.94333 79117.97054 117398.8916 128052.0862 12029.84083 127243.364 56244.40988 0 69333.6362 34664.71366 22410.69225 36451.53334 71102.56967 65870.11643 40130.11098 47856.45538 Glucose 6-phosphate 20208677.94 5542444.806 23013020.95 33498837.35 25164096.31 18056744.49 21284068.52 23243232.09 30874883.04 2208318.462 21646194.93 31029035.22 17113520.92 42329432.38 205563056.5 18777202.17 35308224.78 26034185.14 139888857.2 3670032.455 59841458.51 5471271.458 25481587.38 2939642.382 44897561.54 15647771.31 25015344.93 14182567.6 17676917.78 16389548.03 1535319.05 578108.7107 470177.2178 527042.7882 499476.3898 232782.4702 608547.3966 1090845.15 497622.5987 356059.6793 325879.1867 232814.6572 694376.5529 738398.1266 473484.1157 126461.8462 278281.7257 591019.9245 211961.138 481550.6377 160275.6891 210646.8127 248616.1122 371427.4079 216139.7127 200031.1266 357211.1821 429409.5459 214118.2155 201344.9238 Glucose chloride 12184063.96 4423766.077 9225160.713 4781603.114 8024394.339 10677181.62 8600908.6 9073138.067 8600722.88 6495331.941 13561540.69 9099828.109 21618563.63 26793314.09 5385112.233 16871508.43 12798477.69 8718372.404 21446409 6104384.686 3784794.529 6943881.256 10263506.12 3424657.085 17516457.6 14590403.25 11614502.35 8125266.586 8799361.299 7898915.46 32164301.46 30689891.08 14060203.34 19126842.04 35969231.05 16347159.06 14907936.49 13200795.6 24606742.14 36002353.91 31294561.43 14774699.2 44663958.3 41974395.03 34452134.66 40613046.32 36462229.88 25677442.15 80231417.9 41785158.11 69824771.85 71872266.23 60519406.67 65786451.18 66956365.23 62733042.65 66760019.02 37676016.12 57700041.05 73662178.5 Glucuronic acid 7763583.906 846578.0867 9048737.077 1398292.67 13057543.62 7587449.274 9222738.444 9144433.179 9735635.899 697240.6003 7793207.159 9968644.179 5896002.259 8985923.818 9186594.238 6069952.781 9933966.853 9455202.985 13158780.95 1241828.776 551058.3014 1374740.183 723310.847 701990.3537 2354196.334 5287938.69 6060336.056 2893653.712 6795530.999 4011097.625 4383349.211 3579309.345 1511861.308 2041533.298 3078469.722 2648982.971 1416542.282 5669928.752 1227063.465 1752388.072 2318648.675 1905862.139 2598480.515 3206522.14 2303294.805 1766861.159 2858898.987 1445601.125 1621263.803 2193054.558 1919486.231 2173119.875 1686396.346 1623615.521 1793214.107 1838827.471 1856073.846 1571078.332 2034315.673 1476245.471 Gly-Ala 41578867.3 24881836.84 37559814.23 25805822.07 31509535.07 40011216.09 29173214.11 60636366.01 45561073.96 12378239.36 126987736.6 41401242.54 35067150.47 42031946.46 31249626.82 25242242.9 30467566.3 34880898.33 52081939.94 23745651.77 12034926.09 29529695.12 22372993.02 15965097.28 20927207.23 18856015.77 21974842.71 16937630.63 32447367.45 18668643.09 59175480.12 50728306.3 44257233.77 44798041.4 50441887.87 57240342.77 53815318.95 62495529.58 57363964.24 52848360.74 54977138.58 47882809.45 54220051.95 50716038.35 45452579.53 62668313.79 57446333.69 62792201.65 47371443.15 74621209.93 58549406 42350934.68 50282108.18 35815282.19 37526236.3 39127218.18 45416725.12 51928872.6 48390227.15 34361234.73 Glyceric acid 14164837.22 627095.9717 23703651.38 1043382.856 61737068.52 27878524.36 21251014.7 30058145.39 16025266.26 3624400.343 9807881.36 11131472.59 2688511.445 6991507.351 7172002.281 11627140.58 15474037.18 14952899.85 30272932.29 830302.2015 1445089.042 1680633.941 3042196.09 1228287.856 4679969.731 16746084.59 10303519.44 4903659.504 13495205.35 15776008.19 1225662.346 1230823.616 751572.855 648576.6822 1205503.554 1021948.633 757814.7521 401309.9228 855904.3039 1223310.608 1620535.878 827510.3868 1594234.367 2668959.952 1893809.939 702058.603 1950487.22 810914.306 794199.4819 1267790.373 1087760.719 1008796.034 950792.0559 854772.5957 1564884.332 1589749.762 1220986.712 1451604.682 1185000.978 1139496.257 Glycolate 7682416.411 2492691.347 10975699.09 2775431.739 5729927.632 7575700.841 8587070.664 23275818.49 7760702.86 2048763.464 5140427.649 6737619.326 6857485.201 5400372.869 10365226.25 6744759.092 5722511.543 5174920.794 7228921.518 2069104.893 2428179.137 3553992.899 1848718.475 2618409.812 3552387.903 3852306.649 4232966.657 4529890.878 6101074.409 4305429.226 866590.0386 699063.2921 807773.0978 668910.7003 797671.3084 527711.2885 824706.4472 557234.5839 1515467.213 953772.831 1010136.471 452529.6262 2935365.721 1646120.822 2336307.288 564973.3951 747250.6125 1263996.359 556182.3411 1204922.046 933949.0159 966566.5008 792287.9068 611612.3811 2069332.487 1299037.118 1166420.243 1930737.705 1269381.638 1065207.031 Glycolithocholic acid 3-sulfate 9812044.162 29427172.05 2973735.719 9577043.805 567961588.7 69177823.89 23780926.52 9558690.039 4093448.429 952123.8607 13993250.87 342347245.9 5075291.425 4183399.513 4015942.019 28170937.88 7225203.9 16715292.62 1213845.513 1650654.902 5774316.944 3798892.781 936525.0703 3500660.928 2665281.976 1855056.144 627770.0282 3153540.876 2707198.576 1120903.889 928739.4475 1637299.285 1555849.664 960680.5246 1374032.496 321078.947 445966.3462 345489.1288 102022.7354 666858.4071 729680.7903 1324728.21 1253932.085 1093444.647 710873.5296 223613.7386 614228.1802 818173.7977 465265.8538 1562768.425 834068.7244 780655.5709 207079.2283 445003.7677 291208.2926 913033.1457 613524.4851 703579.0987 183783.8701 254596.6531 Glycylleucine 4061635.346 905173.4086 7076673.415 787139.0579 3360788.424 1645774.18 3248487.464 4221473.795 4813580.782 1163258.346 3402573.871 6172954.857 3536628.367 2302628.13 6321978.096 5282312.362 1707920.039 2087057.723 11976152.23 2458358.75 2378241.185 3970962.563 1493435.415 3674301.753 2417043.94 7548199.315 3663355.921 1587794.134 5519043.193 4218796.26 593254.4015 377367.5466 173047.209 154241.7826 431123.689 215826.6745 195241.4903 308500.6869 125577.637 243979.8071 502027.5793 88537.80935 910641.8771 1131944.157 868583.4618 332655.6515 328227.4426 219035.0464 304969.1803 727804.9084 490952.1806 470557.8814 319471.3437 320429.1085 513657.6899 434464.9967 622543.4027 637024.9131 606267.1011 449114.977 Glyoxylic acid 3713558.067 4026497.641 3064702.723 5882361.243 3920352.12 3236724.822 3692421.152 3111034.127 3698298.95 4249771.937 6278900.632 4117821.57 3534660.713 3915071.358 3615527.509 3640051.394 3435003.928 4397553.944 3529019.71 5695247.176 2146238.479 8101994.666 5652204.807 5686790.148 3090114.558 3931206.012 3318099.879 3002521.41 3780250.043 3542273.849 1916624.382 241291.5454 910164.7672 994934.6711 278223.664 113178.3542 76857.18271 120677.1332 117756.4454 284949.1797 263501.65 1022100.989 459129.0919 293257.5533 306591.2184 272095.7314 301695.9746 1432465.349 638031.1288 383367.5552 662232.473 597076.5338 493780.4058 987150.8732 608768.5691 795547.4541 673591.3571 386764.2531 444932.8054 838223.3532 Gly-Val 1081946.99 504368.1438 2462389.681 393097.8107 458178.4879 459850.3955 802039.8516 1437707.642 2084636.378 992258.4256 752348.7814 1844322.46 1181746.854 1094003.257 4647502.792 2156766.407 616524.1878 987811.6716 4292477.651 1927212.572 1239315.698 2718940.602 705942.5069 2554435.312 1535414.801 4150958.14 3944829.113 1219293.488 2138015.109 2047576.547 397379.2722 310059.1733 225941.7888 153119.6092 331257.0508 128350.7812 455656.7086 297371.3996 216155.6546 460647.1459 519239.8525 270197.14 621527.2668 721596.7894 752860.2352 311574.5913 373713.3231 301606.2157 285597.652 441498.0374 270407.8598 366142.0099 304924.3789 298898.7972 362345.2355 427675.9374 369217.577 533229.4792 361440.5501 303301.5666 Heptadecanoic acid 32101573.29 19701983.99 29135349.61 19251439.19 30263442.27 42175379.2 35737234.28 36617197.52 40958856.21 13254965.38 47125709.32 26592862.13 18915545.74 46351610.99 29341602.91 27933314.9 28113810.16 29482401.53 46836276.43 23398122.88 43505098.55 64733523.24 39593020.26 47364533.71 49037426.77 86402819.24 113186688 80545877.69 65028494.34 84663901.77 62047888.93 82174363.36 76065279.18 101780421 65160198.77 95866174.13 66684681.54 109660399 111250828.8 53250426.11 59615926.58 121407796.7 94554176.88 142725751.1 124089095.9 77937555.85 84092252.91 71979070.66 82925307.92 135619335.7 78644218.17 75341232.69 70431015.21 113737879 77341471.8 85440976.82 109484214.2 81601463.62 105082260.1 82690098.45 Hexadecanedioic acid 3434521.217 732083.7922 2858139.797 918470.6355 4025030.39 5685708.841 2055462.573 2430162.398 2074593.397 372687.6263 2394130.648 5894930.748 1498713.031 1897745.066 4153368.738 2380558.602 2094296.973 3456796.642 11232489.64 1702891.051 1202376.774 2108041.622 823510.7913 2117484.665 2166792.611 2279809.123 3299770.981 1250228.289 3021384.394 3215814.872 12396557.84 12753891.91 6808322.489 6570496.612 10832202.35 7878453.882 6076633.511 16847099.06 5283391.97 3597888.736 3300559.265 12949564.54 6021112.594 5296655.404 8193472.079 5456802.58 6330962.714 4479109.506 5712381.462 6157241.78 8373203.66 5015512.752 5413247.303 5463798.313 8241055.333 6522407.118 6694364.456 6250814.669 8849562.53 5945618.296 Hippuric acid 869953.0168 205207.3758 499739.8505 279014.799 320892.2557 1239551.92 527802.0563 828410.1938 996998.3398 387835.0296 983061.4583 1273528.056 4485931.872 5526358.889 6174585.193 1092851.222 3993338.628 532267.6892 5312202.308 1410373.194 3506537.545 933857.3747 1044646.721 2009021.198 1626523.856 2389726.397 12933374.53 12527610.75 3463091.879 2802413.199 130688774.5 138744061.9 8981720.826 7430901.827 129291334.5 5090898.27 3517595.406 8130329.005 9342838.282 34851321.68 25829770.77 3263744.164 253541084.6 246566208.8 277171379.2 57062190.1 67778602.71 5046012.336 50153928.13 137767722.1 110089143.6 105982243.8 39356741.87 78832817.18 139241501.7 139616456.6 108934681.3 128304110.9 149698342.7 119563503.7 Hydroheptelidic acid 351391.477 799459.1145 943137.1698 70410323.77 2103921.916 2012260.273 496334.1318 663273.5367 9506857.14 17082498.61 1153422.953 39462047.93 11487932.22 40359372.52 15467176.21 1798257.828 4390137.715 136141793.8 2278667.951 141431.4559 14296246.32 308293.4071 447261.3887 3405568.476 372265.5467 0 7330522.665 481183.1396 2490607.424 3063978.317 83496370.45 75228246.65 5904764.91 39742886.6 102193233.7 42665834.3 29775702.83 76286281.49 46301006.47 133159616.4 48089528.52 76582065.5 609649.8162 67382389.83 30228176.66 9961632.064 3435278.983 138824033.9 7067426.381 8853885.873 12689138.97 21951912.01 36318967.68 21363318.74 20498350.38 41523356.2 15224195.1 18282548.36 3905896.339 11771943.82 Hydroxyisocaproic acid 14774673.82 6699582.983 43765277.35 5475095.34 49127797.07 49408151.75 10871738.09 31531795.11 18866370.74 1616370.628 11415680.65 27995490.9 8293604.981 7727230.83 10459391.92 22914818.38 10498297.02 7921330.261 19109978.72 1738978.447 12177803.62 23597356.78 1033606.191 7220206.878 5527071.765 6281540.083 4899963.835 4648741.913 5758806.832 5844180.298 72496266.03 75273412.58 63115653.61 102093171.4 43819195.19 81903523.95 51599078.45 60987713 44868025.12 26798914.93 21904446.9 107056971.3 17940689.57 26774597.56 28232205 50411013.37 63554663.44 34101510.97 34548309.86 25475773.49 29736201.3 25466997.12 21493782.72 30659423.16 16904122.79 20968366.03 13989465.84 17199260.48 26498819.18 14230675.18 Hyodeoxycholic acid 665042.3281 327192.7573 1388450.11 31951.65544 50713460.36 8228107.205 988118.4687 2701529.967 4263223.657 239471.3441 2882068.78 31424992.38 21040079.25 14524758.72 221322042.2 1552376.29 374592.4105 150391.6101 186245519.7 1641933.247 107947036.6 6207806.709 1812063.402 4680678.72 109177591.5 69146809.93 9398240.157 16172823.74 37873399.85 53760512.3 3638929.43 4687649.368 2733097.558 1970179.998 4131129.93 8721598.308 442774.7161 9221797.097 657908.7594 769181.0831 1096223.204 4401802.732 3112813.031 3930599.807 7218952.428 1933277.018 2215190.315 339841.1189 11920909.75 8557025.14 8475389.688 10802280.34 7365827.408 9418440.753 12101034.58 6974669.91 4034417.3 20169140.9 7190076.729 3677849.452 Ibotenic acid 2542586.214 1262453.047 2595704.545 1550548.161 2092934.905 21712521.74 2423094.31 20128888.78 3019859.929 1018041.84 20867022.62 3089544.658 20187833.68 2319216.975 4684802.132 2189481.12 2345733.122 2214912.568 1861358.394 817391.333 542931.4464 1674044.91 1882234.914 722031.6455 23347022.16 804325.4004 20379337.68 539984.5862 520429.0121 20924695.38 251637.7058 234543.4003 373065.9059 332978.6794 248193.8669 185901.6643 176256.2385 2028353.651 130992.7265 167308.0031 528161.8739 274245.0065 454788.0888 436278.8898 516205.8236 245848.4159 167360.7527 344455.1572 420672.1259 396365.6095 356762.7109 512779.4747 362346.4289 402273.1519 411053.5557 331900.6753 699511.6798 373016.212 288708.6821 318434.2056 Ikarugamycin 1949193.375 1595285.295 1864981.044 2750939.09 4314355.462 5735226.599 1656904 2910721.376 1213011.673 643517.6234 5159223.434 4238284.606 2851728.472 3794166.126 5999151.957 1898986.82 2148289.175 1217169.545 2776439.013 825659.6623 1215512.319 335596.7512 584116.2456 1732469.965 2133706.958 139425.037 235288.5252 35250.61834 2308845.919 311527.1159 19640894.04 23394731.36 17946543.41 13548821.85 21954960.22 11924753.69 18156349.76 26221763.98 9083186.976 9055065.221 13119175.5 18361466.82 33618363.1 32509338.37 50734294.94 18339139.52 19523937.54 19880111.21 25931845.84 27675367.77 21533732.46 35198089.88 22928563.81 26216859.24 45882290.85 33445814.14 26593313.4 25049342.05 30675799.29 18776342.15 Indoxyl sulfate 336946.9188 450413.1249 406295.9837 391253.7608 371947.5326 83486.26103 434392.7748 67880.79101 438673.4827 479369.2054 56249.48364 404488.0575 389906.2176 56957.10979 482187.9975 494010.6452 404551.6978 316230.8259 495210.7376 481160.8433 571719.7166 457813.943 52237.28734 350955.4614 50526.34056 393971.8315 67655.93371 39583.42984 459243.604 367315.3225 8399657505 13162943415 1143730495 8409373520 10380384845 4641724166 1391777512 2353311359 4291068734 2061682199 1391400325 16450965409 6019325856 6448982871 6651417344 5470433482 2085132523 602185155.3 4837416275 5647387290 5702610231 5741380429 4145088943 4624026103 6739797641 5632464513 4908212804 8800375018 7661252430 2632863076 IS1 60121382.82 7812862.696 59685019.8 9970484.593 58252106.79 57383814.03 50513849.16 55610832.43 57815306.4 5801989.92 52374686.57 58246850.92 35588078.92 54722452.91 55287317.56 39307979.23 56837531.48 57814938.93 60468514.49 12225862.41 15683815.42 15710047.7 8296943.747 17146974.38 34675215.3 64389848.53 62842715.72 54498142.84 58645852.41 64539775.61 23869522.9 23379916.86 24532105.29 22730826.23 23766780.77 24471541.98 22673047.63 23674269.49 21671017.01 23386580.25 24965088.05 24047385.86 25656410.04 27985275.54 24949411.17 24986515.17 24566851.25 23407238.37 21564929.6 23042200.47 22311505.4 22949324.44 22257601.29 20859095.7 24657860.52 25345811.7 22592263.26 26013733.21 22939435.16 22342192.14 IS2 98739998.86 22159958.14 99509783.89 24559201.21 99745916.63 99885714.1 88484134.18 95394418.71 98446485.55 19520168.44 93356610.3 99472867.93 64368063.44 97616752.39 97240307.31 74263416.1 96202991.95 96050419.66 91776106.59 30589195.36 40645772.49 34737588.89 22549569.47 43124272.08 74265135.4 96733377.96 107899875.2 94943669.28 96768871.59 107930705.6 80933867.53 85094733.42 88569764.9 90207158.8 84703373.86 89181125.77 95980891.72 82751375.38 91131249.11 94765085.76 98545352.44 81441739.86 82753164.64 86626896.78 82074789.66 87354607.1 87994429.3 90682717.52 96683444.78 87501660.79 92713264.66 92644847.12 98310266.95 93779613.17 91527890.68 93103473.49 93322808.71 94135796.7 94526043.98 97617667.35 IS3 34682616.77 6683534.159 33180426.91 8300491.137 34090814.38 33809465.92 30310404.92 32761561.07 34107541.79 6450423.189 29585217.42 35322173.67 22661857.65 34051587.76 34130113.05 23782889.48 34562602.22 33574586.43 36261514.79 9862640.712 11873216.35 12752243.8 7470922.419 12618100.5 25105672.66 44182208.28 42657732.3 36527921.52 36064557.44 39700235.67 9783948.078 9196652.548 8348885.153 8978384.91 9419929.765 8760666.268 10020773.88 8278010.949 8929514.282 9284289.191 10379051.41 8099013.132 10764794.22 11687703.79 11149571.37 10306820.45 9851520.086 9866708.913 9152575.581 10811278.27 10794765.86 11513405.35 9689337.126 8971445.555 10330838.79 10345965.98 10077618.54 11778708.05 9363057.516 10071851.28 Isobutyric_acid 435003630.1 556626.4098 4143302.387 594187.341 2602230.888 1537531.634 838954.8506 7896360.429 3104899.485 520210.1516 1195220.491 7415952.159 33240264.85 13186685.89 823771861.7 1296591.67 1980825.205 747390.1451 114454500 4336846.042 4342243.204 9113568.599 772138.172 25181616.12 5912325.702 3433274.942 2020835.878 7471393.14 4234993.876 2473857.921 1719954244 1220897.425 1576503.22 1157786.024 1529418128 1068613850 1265505945 2198495423 1466548160 1684286980 513620.5427 2522810.827 1568307.724 1660018716 4328823.331 1592999612 1627832300 1321028864 2624888.791 1707626465 1599683221 884595.9822 2018052.654 3725734.094 2329002.688 2382773.667 2770630.08 3185662.287 2337277.429 2923604.715 Isocaproic acid 7306461.542 2387426.966 7198296.182 3323108.948 9708372.298 6809059.908 6630387.194 7863314.097 6236299.155 2178683.08 8094936.75 7456221.132 7425059.816 11662800.92 17501007.16 7887906.135 9983470.356 6724588.673 12740702.42 2629492.431 5444780.723 5013636.309 2270946.819 13266779.67 14620450.55 5112429.02 6701434.298 7259226.39 6145445.789 5475617.266 13071831.46 11756000.87 11747180.95 9186044.127 14347265.28 9031762.686 9809191.402 10167532.67 11049075.77 8616433.582 11873114.17 6861299.296 10267498.68 8275798.121 8578412.368 8595861.291 7554578.332 9210979.637 12847633.28 8708678.715 12668810.12 12341316.99 13072905.74 15303098.62 14235482.91 13645093.8 13201135.08 13119492.9 9671872.022 15195032.08 Isocitric acid 5995451.814 2471627.292 6004621.879 2196080.518 4552246.137 4659842.525 7558598.543 6693700.535 7309656.266 47059165.08 5969615.84 7529314.773 4884151.769 32208018.14 5021433.323 3082969.799 5973360.491 13113937.4 10948691 3146110.342 2688886.254 2835421.841 2174894.181 2449189.168 2374150.079 6614763.54 9429765.002 5171049.146 6675904.119 12663491.28 2818860.099 5632100.966 2568522.872 3415700.608 2232499.124 3074225.579 4739131.399 1847547.534 2889820.498 2424416.752 1890412.207 3888363.578 13712235.06 5001733.68 2128020.389 2219759.181 1870282.722 4307636.953 2226693.432 10153739.15 1755261.753 1749334.747 1988540.318 1711449.328 1770053.076 8817519.371 1566921.79 1520646.498 2924168.78 1884550.801 Isodeoxycholic acid 665042.3281 327192.7573 1388450.11 31951.65544 50713460.36 8228107.205 988118.4687 2701529.967 4263223.657 239471.3441 2882068.78 31424992.38 21040079.25 14524758.72 221322042.2 1552376.29 374592.4105 150391.6101 186245519.7 1641933.247 107947036.6 6207806.709 1812063.402 4680678.72 109177591.5 69146809.93 9398240.157 16172823.74 37873399.85 53760512.3 3638929.43 4687649.368 2733097.558 1970179.998 4131129.93 8721598.308 442774.7161 9221797.097 657908.7594 769181.0831 1096223.204 4401802.732 3112813.031 3930599.807 7218952.428 1933277.018 2215190.315 339841.1189 11920909.75 8557025.14 8475389.688 10802280.34 7365827.408 9418440.753 12101034.58 6974669.91 4034417.3 20169140.9 7190076.729 3677849.452 Isopentenyladenine 8952006.917 8015687.19 14984892.26 13984750.72 23078624.68 18978732.94 9620823.61 14701585.9 28733084.45 4329931.534 8544620.113 20194451.38 14994795.26 29375740.43 6948806.38 5795419.548 31129270.7 14434173.89 11706313.35 4149727.764 2598970.135 12530920.43 4105799.122 5780830.586 4411276.751 14799638.24 16420242.48 13267937.11 11706097.5 5025872.262 348814.8307 234683.2823 202342.4228 218490.6457 227082.9033 320774.0426 246127.3532 252725.784 178102.533 230382.7856 228473.915 393478.9249 317946.0652 191205.0053 296222.5954 179965.686 292566.7497 296789.5057 30928.99797 147394.5367 135088.4134 102605.9419 37682.12107 104645.2024 80097.19854 95821.88246 81412.20244 144566.3487 48527.89174 159028.9622 Isovaleric acid 1854779.936 1091358.592 5190659.131 1301185.327 3189729.184 2992440.417 2204668.959 11348649.1 3218921.79 1042888.882 4004832.17 11340107.79 14808782.28 7459343.015 180048688.9 2121582.454 3041376.805 1541999.624 51733916.21 3264551.726 2142631.279 5060664.723 2510153.918 8058130.305 2762984.683 2452774.097 1324142.513 3078758.585 4179001.919 2585511.207 5575069.715 6145819.031 7220005.651 8837430.712 8986718.04 12070061.98 6234402.34 6128866.244 6707661.137 5363322.996 4698131.959 6714878.023 5048436.911 3771238.206 4562463.099 5980290.082 5262933.76 4255746.997 2867172.109 3840704.545 3755134.434 3482656.458 2771229.198 3547313.965 4496104.192 4545803.51 4198474.956 5799677.988 3843828.171 3536143.469 Itaconic acid 51096222.64 9822930.919 25155842.56 11917542.16 9514193.82 10852243.39 28759475.88 19672886.93 14488985.97 1667231.608 44741718.21 26270574.37 6538953.902 9271352.659 6069204.768 7608792.218 19449175.85 22266204.42 34855142.1 5790009.955 3004571.228 4437674.386 4116964.392 2260327.094 2167664.002 5326272.408 5435205.961 4000975.828 6955098.631 2748929.91 381176.3855 346476.6148 849220.621 389735.4415 347611.4402 440869.3324 299911.6914 440745.518 286550.1732 335189.4222 310738.1451 337121.2487 359571.7181 362609.606 365116.7819 344076.1183 323211.8129 678676.4718 266584.2213 464786.421 334751.5158 326726.723 258863.8073 280547.1312 279594.7521 437871.9006 357977.0226 295150.9971 274442.4501 284947.3556 Ketoleucine 21683918.09 141808492 19733719.5 206936879.9 216200132.5 24832529.58 85860500.13 18718180.18 21218083.13 109219234.1 23873618.77 95061646.47 24948226.06 23947406.75 19508755.37 105631258.7 27475625.34 95020103.46 21299849.38 35732870.92 23736812.14 35617988.55 46087324.81 110028656.8 72697316.89 15479063.32 25077494.35 15644660.06 11698293.72 14201421.76 875541154.2 883992670.9 1204355314 1205141580 820832945.1 919761679.6 805106427.9 741016924 908033867.9 797483067.3 616194075.9 1836351612 773874452 494270820.4 518187954.5 1238050047 702932967.3 645510558.7 469746448.7 574192949.6 558380769.5 509509481.8 331907947.5 461414330.9 1035124765 1026976914 925409834.7 782034215.2 935593735.6 683994749.9 Lactate 3710192282 1021498124 4717061976 1304367044 3716943698 4277294497 3041087234 4831380374 5253841693 783121908.1 2761505889 4100115772 4135119558 4312645961 4332714658 2064626224 4117170818 2618448047 3597817423 1615428767 1243916754 2781259612 1075607584 1679175871 2518004507 5336494150 5422113868 4617976813 5097576992 4159298429 3286679642 3669908573 3509648749 3744248743 3177040368 3812371912 3662705814 4093563466 3197983197 3808119124 4799991968 3360842782 5160751432 4376945999 4488454505 3039774474 4652277839 3684844581 1976009125 3509270187 2365352795 2683396330 3279050235 2341103577 2696538557 2705158540 2576891594 4096698779 3010440523 2718011223 Laurylsulfuric acid 46692296.03 37394757.09 83586726.06 46701491.55 26400340.84 73274039.1 57476596.8 66278542.93 35985319.42 13112265.66 51250919.38 56215316.88 19665214.59 54292487.14 57095942.69 54524468.61 71849812.35 78485935.57 102477192.6 119896973.8 42126484.9 104552663.5 15512994.98 440151645.4 107315822.8 60661292.19 54826528 206704297.1 47850499.09 64970889.16 55143291.45 24924635.29 37782321.81 20290568.98 26393240.64 22831735.85 43590523.03 35824059.06 18005959.86 35716171.62 27778244.91 24914563.15 29158465.91 43609636.72 16169659.98 28657687.72 26020248.64 18894433.47 24392619.43 16947884.48 22833107.42 29917472.62 12732208.42 13549441.28 16832243.29 18005951.89 21628743.2 15272643.77 14527622.4 22281778.73 Leonubiastrin 953292.7313 2427903.357 3491519.234 378046.5888 23142590.52 906055.9457 2633151.713 1764293.179 4037265.836 418173.688 1683216.997 40683207.33 400798.5832 667142.464 537141.8482 1336051.497 1149917.386 1553866.066 3826509.596 333005.6518 1803015.939 2363148.376 196939.4625 543423.7175 3366834.426 1203339.68 539386.0794 758505.0017 2056913.201 2200989.005 338691.5608 819169.3244 320102.4542 579298.2589 505245.2287 237249.9964 227963.0561 296858.6535 209675.4082 408813.4603 267649.7445 601215.9181 679288.2052 600359.9624 1683462.27 349646.1078 310989.992 340949.9991 138279.833 3286008.085 1438814.054 587692.1151 338519.2545 171239.2658 1497674.307 799433.3544 568765.2658 3473832.639 1114359.152 707834.8506 Leu-Glu 390811.7222 169022.3259 619486.556 150174.9205 584546.489 240099.5487 356012.3125 593503.2009 908678.8377 207633.4751 274047.4559 729688.4991 328083.3232 599015.9055 700444.0146 466904.1292 383243.7645 468516.2056 1292712.925 609184.4309 587939.2548 607153.6194 260234.6179 573438.4148 226389.9784 543623.5632 651515.7736 227815.6334 450706.613 306576.875 336519.0455 261293.5045 258093.4689 270269.5305 215103.7954 162258.1707 196030.2124 351913.8311 164630.0924 203213.8299 259343.426 167442.0574 268516.4873 307332.9843 270592.7835 219458.5168 230623.8337 262691.9338 111468.9802 258987.575 171512.1373 146520.6077 93322.32901 83714.43137 165847.5101 144309.4101 120381.9742 196156.7869 134904.0295 91990.07723 Levulinic acid 7125717.387 8972755.117 7758898.646 6354250.371 8428494.723 8359850.416 14828324.9 6439535.857 6703014.554 2860999.553 6438868.302 19652425.82 6023061.505 8120377.778 7801196.983 6629406.347 19478593.85 19544598.51 8607326.848 3507948.052 11202754.85 9853415.462 6719307.861 4865314.468 6032124.318 6788488.627 14266636.19 6424287.198 13413479.46 6536257.248 11318438.97 13026133.28 29475930.92 6167790.892 11793039.97 6500702.041 9610599.666 6767748.963 8216918.858 1366005.039 7632063.197 8120608.119 6504423.169 14235711.17 12229177.16 7995362.436 10505049.81 6878293.29 5075151.936 8409632.49 8039969.679 6585504.211 8563698.821 8927248.95 10565841.65 6527366.514 12317295.08 9831357.308 10709770.21 10358973.88 L-Isoserine 40618047.03 10064673.93 38268207.53 18242051.38 26264790.59 14717200.4 28869042.84 32462202.43 49555919.86 8095886.585 33310666.05 43006259.74 33545015.32 54219019.35 35902262.13 24168338.91 41881637.98 42978196.38 53487801.71 16553410.04 8841961.743 35156452.93 21361916.31 16334896.2 27142451.69 41147976.94 40070734.64 33420183.29 45259042.21 32121292.35 6250915.633 4934412.539 2769678.221 2647021.278 5065211.894 3358903.16 3228806.979 3551704.931 2379143.701 2500543.025 6491527.891 2815709.694 7326163.102 8844920.774 7235785.736 3362661.96 5968197.231 3380244.036 3005477.295 9900426.481 5200387.14 5141111.036 4521969.821 3459565.092 5551528.975 4983166.83 5105366.202 11337551.29 5826716.644 4591743.398 LPA(18:0) 501350.9954 73615.27695 354836.3058 340799.7234 133520.9048 203774.953 35425.39836 275456.3064 333180.4045 305480.2931 405248.8239 202413.3033 328299.9571 308794.9353 272739.7691 321361.4349 352235.2673 467140.4377 467067.0591 69316.97832 220582.6343 280270.5453 313562.1456 215654.4372 248709.7646 68221.43927 102649.7368 61357.38377 258036.8077 73461.54966 147017.5788 210679.6247 163783.3613 133736.9635 132342.5439 166617.0356 142179.2199 156152.5154 81841.48691 109434.4413 139261.8572 170175.5461 165653.6431 146949.7353 61829.09046 135035.0137 183465.404 205941.2176 117149.8479 110791.9708 175640.9109 171332.0117 150291.9929 137343.962 133068.262 155266.465 174760.3058 172216.8317 143070.8266 162895.4825 LPC(13:0) 44758890.62 25171128.52 61155582.96 50125809.18 134872061.7 129547484.7 42418005.67 131103561.1 50902522.02 20075473.61 31923064.85 104731487.1 87731967.26 116650832.9 114741685.9 36523708 60671972.29 47594034.35 114456416.1 32073396.58 17906093.67 19998504.09 24142359.61 18414575.45 86765981.04 14236310.45 13322194.98 10146438.94 117216382.9 24315683.2 77939914.75 94813983.14 90664699.41 81594783.05 78362359.19 113292182 137091184.2 114298764.3 127239403.8 71427124.68 74540501.23 126101775.5 78429787.55 76181939.35 122351902.7 105694379.1 92376296.5 142145673.4 91179842.95 74854383.9 62982479.41 78881396.22 69256936.03 97766421.52 90598425.42 87779030.98 76492554.92 63506180.93 76348443.07 59998833.21 Lumichrome 2169016.136 2829358.331 4085580.441 1819853.705 3085611.64 3016561.654 2797296.823 2817073.792 4518005.694 1301547.809 2599247.645 4630520.589 1917822.005 6390316.998 3649581.737 2197147.122 3536253.341 5948024.78 6775742.454 3120223.453 3656902.474 2889469.723 1330893.089 2332054.002 3059417.064 2406644.106 4560923.432 1893365.555 3465922.553 2456327.63 7459857.261 509698.3422 460701.1123 620663.6538 3430186.419 12043889.17 8499564.222 567812.6593 8196268.93 200299.9778 210101.8463 2302339.237 1028677.094 18562064.11 2800235.729 13008465.86 5371103.021 2117919.354 1719678.031 2954461.447 4922189.909 5831180.766 615450.9526 1285297.432 2748267.924 890227.081 8869516.493 4250748.315 2769039.996 4427772.577 LysoPE(P-16:0/0:0) 125687758.4 64205028.11 112494488.9 114396651.4 110896757 117082694.7 90151671.16 240598116.2 103056603.8 56006356.26 66775740.77 194467741.1 136585035.8 326333317.1 175354158.1 63954877.54 93852948.47 74709889.85 334264041.1 224737254.6 430378177.6 878645620.7 482081055.5 378640619.7 530440199.4 1539789571 1637279241 1634845938 603960255.8 1550113170 23777926.81 15080329.16 16691677.02 12711693.62 15767672.83 11793146.7 16344611.68 30557984.67 15255767.25 15608026.61 18530972.86 11367238.49 25263898.92 50044063.78 47015901.36 15310459.62 20914086.91 24155050.22 9835188.924 18098290.46 11325930.49 10608088.44 11600336.77 12440768.2 13136564.95 14449056.56 18307774.53 14835876.23 20039251.95 13833898.27 Malic acid 213132265.5 85893879.59 382340892.3 91576872.97 427582470.5 318152777.1 281498987.1 511770704.7 507500298 68413111.4 218767217 271993489.5 347301055.1 421010834.5 362282807.8 223743899 235269196.2 281612113.7 609051277.3 144476457 139405712.5 313750816.5 130352662.3 146105360.1 246817670.8 489744042.6 558377987.4 483096831.2 545449119.3 370710591.1 582934.2362 519438.9455 376797.5307 389431.7556 491021.6506 453830.6294 356526.4261 536094.0194 267334.669 566429.5392 448306.7805 333955.098 997064.9308 1043762.568 933212.468 505678.9315 461891.575 619177.4059 398030.3092 804529.9782 385697.5848 681584.7762 381856.1944 351262.0839 467376.4055 395703.4919 449550.4198 560749.4615 372441.2915 454347.7028 Malonic acid 30924378.51 17782568.09 40185984.7 15739842.71 41626619.2 41056936.17 37532961.95 49123985.61 45567185.54 16888134 32266877.25 30376987.01 28221949.9 28935846.05 48226607.48 26237591.72 30218830.8 37645232.82 53465764.21 20602204.97 27404699.4 25645488.99 16813376.22 19687147.88 27358986.4 33950542.74 30205675.18 29173984.56 36385059.87 45938726.97 2336225.618 2417860.648 1610416.145 2163043.282 2100053.095 2651925.227 1111774.704 3630427.888 1269284.051 2332542.983 1035661.76 1387325.128 1725336.266 1471043.137 1642039.242 3483175.689 1687051.236 1380492.308 1632398.056 1374220.717 1209235.207 1115259.714 1822320.748 999588.9918 1091373.384 837956.9955 1075270.495 1199455.293 1013391.59 1067261.97 Mannitol 5597590.704 814343.8687 9543395.872 2878939.558 4492168.474 3791289.48 6264790.719 5718291.175 16185127.17 1219483.309 5701838.048 22513790.03 3766219.631 12293804 6992932.992 15872233.25 34680206.46 53488286.34 5641127.617 1894211.547 3027859.306 2382941.974 1283203.319 9078921.639 4265776.397 9960637.475 11323674.52 5909690.548 8858235.474 6461446.269 4127469.327 3147274.805 1528632.074 1935998.637 3483275.942 2521326.271 1838855.471 2422005.899 1709457.27 2726113.25 5352821.574 1520123.819 6647461.102 7182401.626 5132443.796 2409001.14 3881522.717 3336569.691 3072759.225 4761286.482 5190261.139 5095994.046 5154981.609 2956964.788 3352403.118 3883724.703 4065343.18 4783754.309 4230995.128 4386202.794 Mannose 1-phosphate 20208677.94 5542444.806 23013020.95 33498837.35 25164096.31 18056744.49 21284068.52 23243232.09 30874883.04 2208318.462 21646194.93 31029035.22 17113520.92 42329432.38 205563056.5 18777202.17 35308224.78 26034185.14 139888857.2 3670032.455 59841458.51 5471271.458 25481587.38 2939642.382 44897561.54 15647771.31 25015344.93 14182567.6 17676917.78 16389548.03 1535319.05 578108.7107 470177.2178 527042.7882 499476.3898 232782.4702 608547.3966 1090845.15 497622.5987 356059.6793 325879.1867 232814.6572 694376.5529 738398.1266 473484.1157 126461.8462 278281.7257 591019.9245 211961.138 481550.6377 160275.6891 210646.8127 248616.1122 371427.4079 216139.7127 200031.1266 357211.1821 429409.5459 214118.2155 201344.9238 MES 759597.4208 208836.3237 2583304.796 203787.8497 515150.3063 567886.5032 679959.5508 1071318.667 606176.6927 235401.5138 440439.2652 2368606.751 1739507.044 413036.7762 17961309.71 435686.9433 736620.7515 587725.0907 12839501.14 561265.2672 1753093.19 3058942.829 360013.0635 5097125.165 4406461.203 12669791.99 1880136.42 1184911.185 13804419.87 4752920.402 8602570.134 4463554.172 3985653.88 3109300.231 4533492.604 3847837.981 2250507.981 4973684.63 3128493.595 2012685.988 2599004.362 2530756.627 1153997.885 1293672.634 1880756.619 3612286.758 2311815.894 2082980.311 2037394.494 943950.3626 2354583.162 1928898.553 2039860.006 1877336.451 1448562.137 1554085.198 1182631.906 1030702.831 604761.3443 1858735.023 Mesaconic acid 15208481.14 34707520.28 26496757.56 11721341.93 17211907.77 8718977.024 18282327.8 23878745.59 30350909.36 12817739.21 18814431.51 28252647.36 9187896.327 33211980.59 6238264.808 31455813.4 30575986.12 49554651.33 31306902.74 31190959.99 69291440.4 22069038.36 6894945.071 25345642.37 18086135.66 11892643.82 35625484.65 13725052.65 17158224.75 6783385.009 381176.3855 346476.6148 849220.621 389735.4415 347611.4402 440869.3324 299911.6914 440745.518 286550.1732 335189.4222 310738.1451 337121.2487 359571.7181 362609.606 365116.7819 344076.1183 323211.8129 678676.4718 266584.2213 464786.421 334751.5158 326726.723 258863.8073 280547.1312 279594.7521 437871.9006 357977.0226 295150.9971 274442.4501 284947.3556 Methyl 1-hydroxy-2-naphthoate 19031359.65 1110354.296 39467222.86 984781.7553 46723486.66 57118385.77 7796763.101 32323799.66 12465067.69 1091766.5 12402285.23 72463452.96 4172040.875 11398505.14 35435686.29 9045503.874 11947327.24 2196394.566 23800725.61 633129.9969 2282067.537 2176093.464 1271602.163 3426496.295 4376544.01 20294912.37 11430798.06 7749451.964 25158278.58 11751939.75 81656802.85 146909558.1 141636120.5 162159168.8 110371937.7 125849385.7 106535110.6 121404339.9 84325401.7 70172719.3 29796627.03 171996089 46159176.42 45120456.28 48364500.02 136905298.2 86708349.19 64681994.54 46291323.09 20810714.47 67328682.85 18080227.08 45143130.28 43288292.89 52199496.87 28259263.59 64058929.21 31432417.98 15142172.48 46216759.35 Methyl 3-(acetyloxy)-16,19-dihydroxy-4,4,8,12,16-pentamethyl-15,17-dioxoandrost-11-ene-14-carboxylate 0 668425.1573 102101.5932 201395.5363 2768106.583 2523087.666 463818.0374 165071.9482 84869.57365 8174.293518 0 1003603.785 1035842.22 319422.691 4610830.738 649620.709 19179.53984 15239.87175 7797767.629 1396238.584 10335723.39 4128348.282 3264826.442 1435526.931 6736217.304 3148893.597 353629.7287 646090.6282 8807347.54 2800157.188 1652509.714 2799463.363 1111990.34 1988506.079 1931791.199 1909644.745 996523.7895 4411714.567 894168.8007 841600.1995 799699.9239 3623844.852 145891.7981 0 259431.1036 1212143.542 1115954.187 550049.3912 691589.5896 212571.563 365534.704 378339.4972 346141.4762 367816.1526 827183.9097 463234.9236 423855.9624 255040.824 292829.7696 272006.1345 Methyl 3-hydroxy-4-nitrobenzoate 11376769.05 3827959.702 7256263.577 5943320.029 6758418.099 5265975.706 6170291.78 6717491.111 10020587.62 1697980.635 7862386.543 7436936.432 9577429.484 9038529.122 9423696.626 6174327.525 7646083.458 5947635.574 11332469.11 4392601.513 4763587.072 6844981.021 6603489.043 5867396.004 5180916.048 8522141.51 8368531.253 6680603.599 7666857.509 6583041.226 4477125.344 6843577.597 8500500.646 7009207.543 6489159.883 5852420.559 5744354.581 18097249.24 5430816.18 4928517.043 9719432.242 1715336.47 2452039.989 3978054.278 2758457.273 5828063.551 5024280.102 6464311.755 6944069.403 2287561.907 6975881.214 6233036.109 6843937.366 8111104.745 4430337.794 4315515.267 6432049.58 2856643.077 5929680.971 6494838.912 Methyl 6-hydroxy-1H-indole-3-carboxylate 5700387.933 17601227.22 7772974.87 19085697.48 6783321.396 8418466.678 6109678.08 8292591.125 4720002.935 4626482.137 9620901.721 13393766.14 8649183.166 6984218.465 4579563.48 8091810.741 15127139.05 16643515.48 17042779.1 9616242.522 6857407.087 13860870.73 7026929.953 9527516.34 26730175.35 21472351.31 34630522.67 28419875.8 26278846.92 30617020.02 3935800.293 4191291.36 3049402.763 3293746.914 3439472.381 2654185.07 3474376.51 3390719.844 2412330.289 3067443.177 3620335.124 3189389.222 2790721.622 3541596.862 2967385.305 3497303.165 2200556.15 2393950.982 7400350.029 3031114.777 4810141.441 5208813.668 3404404.962 5011152.847 3976066.45 8206935.324 6501351.077 3040836.721 3518902.31 3975821.851 Methyl 9H-purine-6-carboxylate 1949434.946 742108.9307 3178271.121 905270.4067 2190103.74 1430385.379 1624772.133 1987675.483 2073623.132 1079339.502 1550752.03 2064935.023 1732484.612 3879494.94 2156937.928 2624078.776 1362645.128 1929219.266 3437472.014 1065804.573 1339523.287 1796106.514 1140598.186 891541.6323 1392508.4 2132986.163 2095946.644 1603650.401 2851481.546 1744509.584 32062127.8 34174396.65 12754177.25 8520534.065 34141911.02 19748772.32 9328835.47 7802867.307 23841942.47 28731778.85 33674894.27 11549192.31 36135072.37 38554885.33 35112641.9 43015584.86 29477610.49 25089517.88 80331955.06 43735776.71 62173001.44 70482718.31 43819279.22 65409889.83 60546056.79 60955809.82 70741775.25 33517829.7 50838292.62 68138916.7 Methyl indole-4-carboxylate 47544193.84 27526798.42 48043660.33 44956978.76 28944163.09 16367832.04 28696382.26 55418181.74 24636386.24 12960638.2 35488112.14 70533049.07 46822289.58 6419731.951 9551808.172 75206040.86 51078259.81 68283382.89 24735235.63 11504301.24 4019854.553 7105348.274 2670758.605 1776190.582 15239418.94 11228637.69 6591076.021 14377216.51 22147335.65 9745024.052 3554841.586 1601847.19 1387766.943 869016.4497 1370609.415 1555892.082 591643.6742 1460912.38 723442.3581 2145062.534 1696328.654 988515.5197 2584722.36 3346826.864 3327917.526 1402459.639 1483810.209 1767970.476 1460919.171 2559200.676 2857684.341 2576908.283 1972112.081 1361917.15 2178380.088 1976828.812 2517694.958 2554213.688 2176044.051 1893497.937 Methyl β-D-Galactopyranoside 501040.7888 115895.2339 4623516.62 135488.9183 282970.0626 174314.3962 588703.4387 293809.8762 3733024.367 368029.105 293831.076 170644.1747 299326.2698 288890.0391 260410.3765 1004741.857 310981.8632 374293.4199 526338.9614 191220.8524 308288.1389 255724.3723 276377.3623 395713.0925 436323.1018 411643.7486 461068.8509 364103.9456 387421.8348 439582.4368 1018197.2 487860.3735 668506.9407 290423.3985 589649.628 49177.21761 818634.3009 284801.196 196641.6424 433971.0409 967841.2834 54197.96573 1614550.204 1008023.236 959491.1919 405201.9648 284309.1303 702073.0787 327483.7373 820164.6158 493269.1016 520461.2331 480249.2111 543179.9051 1138810.557 795183.0743 1251012.767 970947.531 1032108.462 669670.6525 Methylmalonic acid 65345969.15 22512562.84 69260910.84 27143820.29 65284312.78 116274488.9 73057211.54 73208671.32 70961250.19 26679363.58 70285470.63 48935242.81 89152432.76 72972167.19 82502056.41 68610820.33 64977625.87 65330015.15 62361844.86 48599719.36 42596679.66 110603532.6 42161024.38 55209681.38 72786510.52 102194324.6 103544657.6 100257014.2 91400637.72 84505843.31 797524.0903 546941.0709 601933.4249 634826.7556 751340.7572 405500.4053 454566.9933 480223.532 445472.5778 630740.1536 664862.4346 552290.6204 679642.8561 540861.1148 563481.7257 622934.6169 441964.3655 660264.1616 200665.983 490569.7699 214630.3004 417320.5183 558858.245 474267.5119 676684.2298 645558.0417 484059.6274 676179.2848 368429.0849 498287.4528 myo-Inositol 138586328.5 21858250.55 106469740.6 28997261.39 71661035.51 67424763.65 99617693.29 130675965.9 115631087.9 18632894.83 107340857.9 133654561.5 98630143.97 127283283.1 76465309.47 77799640.38 96339827.99 112887142 176430916.7 47612450.47 20137014.39 45611980.81 33680184.1 34617396.85 66242645.41 81136709.21 104615100.7 75581473.96 135059968.8 82830296.81 10087459.73 9127988.475 8431905.715 7614451.171 9549686.605 8894251.274 6646325.303 11653581.29 5206684.2 7269508.935 11638185.79 7810775.963 13758893.52 16055602.73 10511104.31 10887028.54 14012376.69 7415286.683 6252906.878 11472082.03 8127347.586 7439381.374 7450587.627 6513183.12 7184661.447 7698634.913 8274216.699 8773276.576 8600372.931 6248789.5 Myristic acid 47841558.28 34829037.6 60315255.09 30365870.37 69691300.83 76460255.69 52791382.13 62215120.51 88095016.23 35738268.64 101240948.5 44121150.37 79056187.24 245880752.2 104850678.9 50171199.66 57179510.31 67856525.66 119292490.7 72653047.48 85445994.25 179757501.8 72649659.76 232253331.1 362392474.8 230720640.2 193088983.2 192830292.3 137092553.9 210081260.1 156219301.6 133265207 153917537.1 140416302 159758042.4 151262058 146537956.1 170183335.2 201679607.4 97506519.61 79620437.7 177120986.7 170120632.6 146270253.7 185903024.2 151982905.5 131465251 126933868.1 183448210.9 123950778.2 144195974 167162455 249101754.3 328940403.8 292157616.2 210626079.5 249616224.3 75073680.9 200585348 338402473.2 N-(5-Chloropyridin-2-yl)-5-propylthiophene-3-carboxamide 24580410.94 5704091.749 20161916.94 5579828.546 20636179.85 23120201.01 12833069.09 20063737.69 31472798.34 424679.7094 46212179.51 21890692.19 28653488.17 21351019.51 25035667.17 10999289.06 20006098.93 9470077.75 30629810.94 21811545.52 10496308.9 14774905.19 4557468.413 9251971.33 17652211.53 41058677.31 29162809.19 22942330.31 35955270.32 17255546.68 231324883.3 256765043.3 87464744.84 159363368.4 301389458.4 313242030.4 320327770.8 54992784.08 344717446.3 276735360.9 223388680.3 435439343.2 304269565.1 270332495.6 379218818.6 349511378 398429139.4 163917975.3 327740412 278586596.2 317004673.5 213110519.6 242975602.5 294919614.6 308568430.8 262082797.6 304030580.8 349798747.6 263172739.3 178996201.7 N,1-Diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide 5069033.149 1515533.955 2935311.465 1524765.816 3911979.071 4913767.003 3797670.067 2780846.746 2818536.95 506680.7066 3692723.861 4508006.796 896043.9323 1543171.715 1502311.589 2520174.596 3606404.636 4311253.866 1041073.179 423056.6575 536357.9163 805457.5481 580725.41 566160.0148 897766.0072 720027.5163 795775.8802 740830.0499 1050675.508 813613.3689 702168.7863 660064.8461 1123962.034 1238923.745 691300.5322 1707541.753 1849025.371 632265.8178 1092173.01 1052501.055 394653.64 1133505.264 440227.1945 140429.2504 470622.8151 459633.0521 731246.668 1376316.944 459348.1703 256865.3224 393420.3307 353425.2584 343555.6591 606151.2471 484998.7353 555838.6997 293204.474 437790.9141 442293.7874 551437.7372 N-.alpha.-(tert-Butoxycarbonyl)-L-proline 4518734.276 800738.143 4476282.19 785188.2686 10340990.67 4963833.272 6905957.191 2506310.63 7812282.483 297693.598 2958743.579 3873559.189 2366123.799 5699539.517 1757507.847 9225072.089 2180024.853 3516021.612 2385420.74 806606.5927 480345.0164 1058975.817 589965.2539 1101421.45 643911.4527 592368.8673 911363.1455 607381.6676 2880682.469 1105445.752 1889213.169 1675556.257 1952778.699 1637498.276 1474597.709 1243638.929 1254158.248 3134004.75 1116000.796 1383018.471 2711573.647 1531900.568 1544898.022 2024250.889 2973771.605 1699368.387 1677513.315 1665863.292 778304.4323 2438824.854 870007.6399 1573055.111 1382240.26 404319.9852 1087484.472 814578.8712 979596.6781 1232258.213 993668.133 671440.7614 N-[3-(5-Sulfanyl-1H-tetraazol-1-yl)phenyl]acetamide 3938159.797 2449208.33 3483657.048 2776436.593 3212423.738 3401460.822 3147671.146 4482273.671 3548578.406 2508564.32 2995682.567 4640013.938 3874032.859 3583368.954 2598156.095 2884556.662 2619047.395 4150077.628 5039224.643 3292026.01 2386413.83 2980023.366 2798163.602 1812521.094 2222547.335 3395846.446 3417504.01 3209841.669 3691648.879 2511133.185 3149381.943 3166414.9 2218638.32 2957963.558 2381379.756 3656361.073 2952721.469 3426729.641 2733123.421 2130363.327 2609565.791 3082545.603 1896687.441 1498618.286 1199702.081 2534986.583 3878326.042 3229451.359 1594002.743 1717887.356 1484200.495 1698695.668 2180889.96 1682180.834 2043061.662 1947148.161 2947049.875 2065398.294 2086630.675 1900395.822 N-[4-(4-Nitrophenyl)phenyl]acetamide 25408581.17 48679506.23 174530961.5 35129332.61 552970791.5 84677045.97 284724442.4 271669110.7 37813427.12 7215979.034 74393310.03 807251790.9 1679075.688 1923086.461 2992714.013 222371885.6 60265777.24 77376069.01 2842814.942 449287.4955 3091204.011 1733379.697 540177.9292 696663.5024 5464118.679 2426473.3 857473.6934 290247.244 963715.2586 1569617.798 26981112.4 33416940.6 5801159.602 6691107.517 27256184.04 5276238.633 3799785.614 27560340.12 3158231.877 2941129.236 2150797.011 12834367.2 712158.2717 966877.7464 785681.9531 1703606.273 4578754.921 1422556.264 855930.7353 2130463.34 731544.1233 651557.4831 1095569.017 586311.2921 1396290.497 479441.2262 1192623.739 932322.9548 676304.4932 1552386.511 N-[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide 12183855.52 1123134.584 11029603.02 1781759.639 10627917.39 5382491.924 7051817.582 9698893.31 17922374.5 576333.0925 9104638.291 14210559.6 4862308.847 15248584.83 8187423.272 3536563.289 13031413.6 15263269.42 15013974.36 1013320.456 408601.2072 2497951.289 1878589.661 675983.9756 1097652.381 7738128.871 8814194.967 3681480.465 9049775.342 3218115.175 2553648.897 2225571.824 1250741.302 1477153.015 2387812.153 1699275.065 1829699.444 1568592.101 1890910.068 1578316.334 2360548.871 1289307.729 2941958.387 2457656.817 2917743.105 1704543.622 2094678.313 1921542.489 1667456.03 4114356.273 2596385.132 2446082.221 2139777.628 1493549.992 2264695.077 2292827.727 2178286.487 4321767.066 2702177.165 1896681.016 N5-acetyl-l-ornithine 1081946.99 504368.1438 2462389.681 393097.8107 458178.4879 459850.3955 802039.8516 1437707.642 2084636.378 992258.4256 752348.7814 1844322.46 1181746.854 1094003.257 4647502.792 2156766.407 616524.1878 987811.6716 4292477.651 1927212.572 1239315.698 2718940.602 705942.5069 2554435.312 1535414.801 4150958.14 3944829.113 1219293.488 2138015.109 2047576.547 397379.2722 310059.1733 225941.7888 153119.6092 331257.0508 128350.7812 455656.7086 297371.3996 216155.6546 460647.1459 519239.8525 270197.14 621527.2668 721596.7894 752860.2352 311574.5913 373713.3231 301606.2157 285597.652 441498.0374 270407.8598 366142.0099 304924.3789 298898.7972 362345.2355 427675.9374 369217.577 533229.4792 361440.5501 303301.5666 N-Acetylalanine 59032518.49 10540113.85 59179626.02 18003813.69 45607987.75 27095237.68 47055574.96 46738547.89 66451796.13 7490123.492 50247775.01 69140674.45 28726665.16 54435302.18 32910983.11 38713788.1 60224931.9 61568842.06 68335042.45 12579503.14 7828588.89 23606685.22 13300817.99 12716626.81 15052045.37 34384434.44 36726570.18 25430223.71 34475718.68 21304147.04 2339377.939 1642262.565 1491971.938 1375036.108 1605230.421 1456475.981 1609293.73 2909064.819 1168938.526 1389406.118 1503566.182 1639617.152 2098526.564 2616366.519 1933864.422 1427010.964 2100625.118 1467893.165 1454869.335 1862925.084 1391600.732 1330498.1 1115068.312 1165206.683 1708270.515 1456315.422 1138691.039 1969516.985 1232569.458 925840.1549 N-Acetylaspartic acid 52022319.68 8945650.249 53593531.05 9782693.322 42238924.77 41689011.9 45486318.31 62730988.79 70423163.39 11536995.43 49711122.35 50086194.77 34146502.74 65866615.76 60546660.6 27877880.48 48383575.41 40370924.48 112900844.9 17461707.68 22339618.11 34975859.38 17180695.72 23847777.85 31779750.89 63133658.11 59134719.45 49464384.67 61806973.84 36794835.79 1663836.937 1505380.472 379641.798 879144.2568 1418696.903 1411416.55 1008095.76 966683.8899 1345371.484 1106059.178 1050239.563 1369669.576 1632840.687 1496697.296 1390103.357 1434547.406 1362988.54 939722.4197 1222410.044 869447.2752 1364633.098 1323903.294 1152616.349 1420865.065 1120401.415 1214260.788 2537088.392 1361087.005 1621150.799 894304.3328 N-Acetyl-beta-alanine 5802838.662 1361023.649 5698483.774 2488055.695 4214620.286 3674773.819 2762128.411 2507943.641 3904290.987 1168086.97 3125689.379 3843334.49 1503037.035 2141290.676 1514024 1836419.552 4216289.233 2803015.496 4229625.372 783862.9011 763663.7826 1269635.849 1332049.084 768908.2897 794624.8969 2225595.695 2045017.689 1546706.731 1407504.83 1354502.151 2100918.464 1834282.391 1203613.89 1273843.513 1760017.715 1320254.933 1053850.843 2360625.027 1027276.515 1126772.366 968921.8227 1648284.063 1319978.616 1087794.476 1113326.853 1196381.005 1577244.847 1229919.796 1264040.062 1081938.533 1242852.029 1189942.602 1065148.799 1235326.816 1262200.427 1228546.418 1101631.758 1242988.582 1043879.659 1035012.703 N-Acetyl-D-galactosamine 4-sulfate 262261978.7 40123844.75 168771992.2 49412800.98 83525101.09 115067840.3 147935065.9 119375663.4 199425433.2 13523419.68 82702326.08 229538023.2 82196430.97 74267077.91 56184816.02 214212273 129405133.2 249218035.7 76543679.57 15426913.15 15733508.94 24240757.28 14836394.67 21340706.81 5205340.205 17162191.08 25274285.29 18186924.18 83346.83199 13851376.66 19215785.29 11702189.19 6863566.56 9132946.351 10849070.75 26092520.63 5240860.766 20399530.39 14787429.57 7143109.357 12216389.99 14248215.63 12507277.28 14468057.42 10096241.3 22715350.36 35335147.93 11483503.79 6256945.327 9093107.744 6575118.047 5070508.156 6408274.931 6762644.198 3651811.609 3505036.961 3800223.445 5435293.077 3541215.188 4227877.936 N-Acetylmethionine 101996346 22313979.16 132439451.4 28053654.42 77587265.55 55634679.99 81623945.12 82981177.79 172619259.5 22525634.69 94170553.72 138567452.2 63993544.06 106747720.3 144906566.3 83466289.71 90253873.72 109542693.1 125886568.5 30480747.29 24863380.64 55283318.58 22682256.81 35090539.03 27954061.34 66557839.05 80452611.62 52221389.47 58718150.51 39558451.83 12345600.56 12836679.08 2712561.201 3147686.004 13059398.5 4907449.78 3561220.134 6067969.041 6189752.241 7004166.261 11108703.72 3793358.501 21065796.4 22932281.54 20575309.94 272500.3532 10653192.1 5368126.392 8455068.798 6648588.119 8565925.41 11641682.39 7504475.537 11526172.25 13062286.31 9919698.817 7282423.704 15505127.33 11239744.29 7308391.961 N-Acetylneuraminic acid 3847473.942 732784.1961 10044380.19 697736.2273 5394870.13 3135145.999 3499692.029 4551686.266 6352506.491 856522.0916 3131526.799 5664942.276 4344506.451 6170561.428 6250176.53 2274865.33 3617726.505 8526577.063 19130653.23 1471657.619 1099729.936 2021936.729 1211509.822 1028018.07 3433082.559 10197192.44 11355451.13 6765505.542 13063981.09 7036342.044 27874512.23 23130149.03 7004910.127 3789266.978 24701018.38 8061861.372 6529792.3 1462841.782 10813212.59 16901406.26 20878285.62 4912417.864 30600905.03 29403669.49 22070331 15492107.66 18679013.3 13902180.43 18152071.13 31994431.04 26252346.62 24370934.46 132861.35 24809123.34 147941.899 25498798.5 23376922.58 20946533.93 18694725.83 30639971.5 N-Acetylphenylalanine 2170259.94 949878.6467 2899189.596 1131117.579 2104589.034 3801523.21 1654882.912 3022262.76 4204548.315 488846.837 1579827.545 5449932.017 1973374.736 3499645.15 2246844.144 2110148.898 1468921.166 1457581.02 3587698.069 791181.7441 541190.3308 1320511.907 498403.4051 1562525.317 995173.5825 1460060.472 1271354.758 1173269.022 1794876.186 1175525.239 7349691.643 6114027.104 2522471.333 2451922.44 6365108.053 1331143.778 1474636.684 3001931.377 2992738.16 2279248.836 1928010.981 3380362.81 4257728.61 6683025.855 5248610.091 2458658.353 4038380.987 2576884.273 2231120.76 1263198.559 2453207.225 3596649.187 1070196.29 2735869.762 2312478.665 2581379.958 3752811.617 4663879.728 2244832.926 2562473.264 N-Acetylvaline 1033673.48 590518.0485 1272894.951 1226278.87 1678838.309 906394.9465 819385.34 943901.3413 876788.9579 192428.0481 1019658.065 1843805.218 2293381.394 1358149.025 1681986.259 666672.7421 725507.1079 807038.9291 3983531.048 449437.2923 261866.3432 1065870.012 1069771.528 585660.8564 583169.2548 851278.9546 629961.8384 567702.3481 858081.0658 561401.3455 1187269.543 1063009.549 808190.6442 1924294.956 763464.6986 1351521.111 527077.2768 707168.7844 509824.5936 493487.7302 628294.4786 1729469.687 778276.2559 1288313.571 1550388.881 747634.8002 737108.5841 638735.6151 587443.089 406611.4463 608384.9613 670375.1317 420160.8373 372344.3745 1781369.627 659651.6663 573930.1887 598151.0533 525291.7559 656771.6686 N-Benzoyl-N'-(2-pyridinyl)thiourea 16409479.46 2515282.477 25782912.9 3400667.159 25633893.8 18974815.48 10943974.19 18268213.48 19814493.26 2667125.915 12144537.83 16141027.48 7940094.964 12433132.47 17834833.16 12499266.97 18859422.47 12604177.61 20783992.24 2946141.867 2982871.234 4500365.001 2150329.381 3614101.389 10445583.55 12506645.76 10734838.57 9107975.386 15870377.34 10842939.3 1180330.555 1389403.825 1567747.818 1389739.934 1487325.13 1585173.447 991046.451 2452701.062 1111490.791 1249160.64 1312107.394 1237802.011 1608705.61 1398730.832 1208851.106 1451174.581 1707137.142 1398820.731 797656.3924 2291868.802 1640643.486 953344.5349 925119.3261 1055359.228 1162772.091 676069.211 1017622.225 1179681.703 846006.0156 704889.6334 Neogrifolin 16229437.04 19973703.01 32147960.48 21206359.53 22649594.48 12942646.99 35448691.32 11193054.71 17557173.11 18113648.17 33381686.65 25072273.9 11537432.86 31750983.54 29057392.28 19485746.08 20989944.21 23890806.11 22817346.64 21108923.08 18854447.76 22766337.59 18427741.07 22999182.66 22241686.62 36477457.7 34825844.63 30001622.52 23350122.6 32773929.89 909817.1473 1183129.925 814662.0052 1013553.606 772042.0461 1267718.641 1116979.284 1466446.037 687468.0878 703905.9231 870028.0914 1386489.046 727487.0795 1372877.459 755531.0949 707402.4338 1192760.751 1022895.728 596044.2502 705156.4666 763223.1073 1040801.403 1034814.613 829939.5143 678356.7349 973547.4789 1046901.12 1197950.071 535832.5767 590897.0676 N-Formylglycine 64333451.96 8499643.3 53434295.05 11119010.11 39345191.12 43373677.59 55967902.29 66309068.96 50127171.12 7525090.434 46651081.11 48346336 43457848.97 45653949.2 32463897.01 33348902.66 64372122.71 57211426.96 47056502.88 11400810.66 9386717.231 17525598.94 12480265.79 7933524.27 22068099.48 52743949.18 48742872.56 45268727.66 47062879.6 35640748.73 4517036.319 6320757.786 16691807.59 15524402.26 3003565.048 25023459.19 2367938.076 21079572.04 10020017.85 1707250.119 3076699.993 20029620.72 11091014.14 2087298.523 2931132.674 13300395.64 5618168.239 16180341.13 6550375.152 10448647.71 1439970.81 7028966.366 2317363.981 2746452.062 2149420.88 1246592.551 1883651.81 3687523.355 1673835.964 3749100.261 Nitrilotriacetic acid 978603.8385 336782.4157 1715349.171 406923.5303 1264303.09 1438265.234 1603098.954 1772963.045 1437648.442 260556.6544 1624145.782 1533312.552 2075550.569 1263412.081 910451.1548 1373788.52 1618668.036 1771069.193 1003641.084 588240.2779 292708.1039 906639.4371 579975.3622 722497.429 1094082.243 1442239.211 1517594.457 1334282.676 712032.0908 1177235.676 5280503.385 9756575.727 20496689.13 43871998.25 3995420.338 48240085.99 7027128.464 62038029.42 26509920.34 2526526.997 4349561.902 10389137.38 19966097.53 1057830.431 1782608.928 25650248.76 7759614.069 30059119.06 9570816.546 27522267.38 1076994.155 6363066.121 5196032.88 1563983.028 817597.2331 467994.442 694846.8737 3081102.844 271214.4542 2759878.769 Nitrofurazone 430468368.9 101342837 465642061.8 107225213.2 210860591.4 673600603 452384184.8 511923652.6 412222212.1 32627007.81 337425740.3 402202251.9 157997302.4 187960027.3 108238033 213934808.2 450385877 594958391.8 238262101.9 59908012.99 52859869.91 60633308.87 31949610.79 54919166.53 106867058.7 212590666.4 213173480.3 159942425.8 124302010.6 222936333.6 1046967964 842798561.7 1264370897 1251170132 953816061.3 678284337 1131627738 317540593.8 816969241.9 940994116.9 837183942.3 1038216766 793382761.1 1230811370 1063783268 791864407 804610756.4 845750489.9 941060495.2 873869512.5 910090173.2 676392676.6 707272245.6 776622191.3 957338198.2 892736868.6 1023489471 1145020753 1348999516 817789130.4 N-Lactoylphenylalanine 3501674.901 1964385.397 6420234.173 4541939.465 13173359.37 5207449.34 3525736.568 13673754.73 8948178.795 2061369.801 3087011.686 9581050.025 9277277.109 20295749.56 4399106.256 3515485.361 22745100.56 5295179.171 6730160.546 1233394.794 886491.4399 4195093.542 1142290.378 1876305.517 1034121.213 8583705.239 14275434.76 4294120.296 9237451.747 1955397.618 6113601.967 6187608.386 4995074.54 5532743.229 4903504.914 8231795.009 7145614.79 10799724.88 3365752.17 3386219.081 6397175.426 3665324.31 12136111.04 8466474.716 8889686.427 4900326.219 7712146.145 6001230.837 1340183.761 5615226.077 2121054.968 2310018.618 2761001.054 1999385.462 4775399.542 2599494.445 2463106.187 10832811.11 4797305.867 2445421.069 Nolatrexed 31833535.91 16012104.06 31668050.67 13465730.96 23819943.32 15015131.06 29531165.92 17489155.12 47290010.15 10081090.58 27429247.57 27296861.75 26895765.63 31357371.49 22022585.19 24167785.25 44861515.47 43860220.95 21181331.38 14304019.66 5333260.071 11218434.62 8369371.791 6714658.335 12596757.92 17487121.5 16380947.1 13817196.34 17201764.97 17027070.74 1429910.064 1706594.858 1994697.91 1931937.269 1255935.643 1863696.556 1856429.539 1516293.277 1416471.338 1469433.649 1926820.892 1485896.922 1589258.797 1745868.299 1397025.11 1701427.552 2070165.345 1559021.159 2380935.16 1432216.001 1395470.197 1892680.379 2347244.499 1681713.998 1677337.181 1649365.625 1917373.252 1442116.482 1666397.926 1620493.963 Octadecanedioic acid 3149668.051 924949.3559 4141618.163 873607.1725 2537446.86 3484072.615 2262219.886 3120295.094 2815699.447 366458.8437 3244657.36 3265345.932 4410672.827 20947802.8 30125227.9 3506600.101 2221076.28 1492132.018 17977326.7 1262817.279 6096021.847 4942736.109 1544093.949 5720702.486 8482759.45 3975447.424 3784345.107 4054953.064 3700108.448 4145680.243 1199940.964 1277009.623 1072035.2 935908.6357 1136027.226 1188713.106 920873.9227 2560908.698 1481099.965 511190.6464 385095.6466 2048674.986 816341.8566 743177.5709 1051463.7 869337.7966 906931.844 1095165.774 707272.7092 825556.0525 964537.406 609644.2582 662505.4075 807973.8129 909263.2667 894640.4142 868023.1143 824928.8051 931762.4962 931614.26 Oleic acid 2417342416 1260599456 2345726045 1263968550 2548339963 3715440576 1907506930 3078311152 3372891752 1179772562 4018775036 2360076713 1790660720 5363008891 3137531626 1703574587 2203037101 2055912385 3185940672 1685613028 2280650888 3129577625 1991740648 3378833274 4886532199 3623607754 3277116054 3532245701 2940213379 3423230474 5494642145 5123850643 3301854307 4616229453 3231008107 4560260356 3771163040 4455129860 5696837488 1650716325 2341023786 6860120070 8653735626 7089848851 5291560640 3522816165 2866341173 2079878052 3617111423 9806472102 8069806969 9027110013 6763765172 3439198179 3976757838 4421647666 5457768372 1973160131 5153833892 5225882411 Orotic acid 5986814.112 2513912.051 7335898.469 2770837.718 10178624.27 9510685.087 6918938.914 6817273.433 6657855.453 1051759.176 8531928.754 6618645.548 4112522.05 8746222.895 10883442.76 5348927.383 7080841.695 8555911.056 6744644.917 1759495.683 1674241.468 1713942.127 1612510.817 1035414.14 3382372.511 11046332.07 11094933.81 12210544.35 8764651.934 5255895.997 2061585.572 1889114.029 935909.3106 840935.7164 1887131.946 984672.5953 909891.4414 934891.7531 998528.4464 1184678.984 983781.6238 1443611.707 2721484.155 4062912.972 4669883.905 2213409.91 1851351.543 1260173.413 1684974.66 1808061.334 2002588.122 1989508.448 2726843.174 1955454.575 2252813.892 2164944.395 2433085.253 2614345.08 2019013.476 2404656.771 Oxalic acid 540305.8906 32355060.92 37912519.3 34805031.59 29396218.73 31146809.57 2684482.571 40818506.11 40247412.48 25232724.3 2524301.357 44146559.77 2689149.984 33383223.07 33840282.18 27244136.38 619394.8285 3531377.317 45468702.36 3125372.125 3443049.322 29731030.1 31208826.91 44314399.69 29991699.23 37784956.55 45347110.77 31397179.76 3705599.878 49304286.4 26196092.19 21966939.63 19728111.2 20276391.06 16430008.41 20677695.72 12002188.41 21365407.09 12186645.22 11053785.81 13641584.23 18449092.76 11595083.61 12875178.13 9253955.933 9839345.972 16049299.41 10640550.61 8349141.597 12615432.05 10276096.48 10658243.2 14369844.43 9613053.84 15461590.03 11089316.06 8909957.674 17631890.99 9541342.477 8574115.966 Oxypurinol 1600722053 187049340.9 1451945175 296370021.7 974747342.6 1019837234 1255522855 1233892288 1794429630 126794732.9 1387769466 1518269082 974901340.4 1436161526 1336392646 1062446614 1631978873 1711618174 1423237082 283776129.1 243483053.8 424658937.7 197597469.4 247015444.9 647712498.3 1277627378 1278989801 1025113036 1378025274 1197808726 395418.6286 225857028.4 158629.3916 108282302.1 168640011.2 409552309.5 408216896.1 88910.43694 364932565.1 308019359.2 291528147.6 436400572.6 815683.7094 36216870.92 69288232.3 176270830.4 315668345.6 293820.3393 146982.4816 427226.4461 668531.9462 259294.4636 531375.0158 57248570.36 529806.5995 241204.0534 896731.6256 230525871.1 511381.4168 545660.2372 Palmitic acid 1690862033 1032882288 1723760382 944758726.2 1801758099 2150182878 1933161052 1945035693 2080696089 728770791.6 2270814809 1336602594 1120371032 3070521776 1817622033 1678020617 1804274618 2012788833 2503397664 1206854368 2005116534 2973718602 1742328399 2927175379 3537360758 4237480633 4482292042 4424104649 2640887811 3930176806 3537121842 3507501610 4381717659 4044088919 5106342592 5997828082 5343356426 5449238903 4636455459 4348088484 3257197337 5158096022 4992313045 7689069337 6587626423 4542351528 6781702929 4871001603 4032574430 5102390765 4266134008 4485884706 4155829770 6418530114 4340011398 4289781341 7060819725 5393588517 4788335748 6188457948 Pantothenic acid 384707715.2 48894760.1 289754321.4 53947704.45 299019069.7 245286555.9 255705072.7 239631823.5 285633796.8 12153670.85 264442510 383079324.2 53141233.47 145174025.4 114003586.2 144991885.1 276933820.5 364207867.4 138880672.6 14286015.14 17357677.86 28947703.58 18999833.78 22762755.24 36477335.38 78631632.37 88330680.41 62848122.97 89947602.26 63442944.26 42283399.95 43400359.01 55689151.05 58642771.59 35914255.53 84894144.51 66097231.44 38248656.24 44286605.26 45627388.95 34309922.84 107428492.8 24794960.49 15389350.42 17942721.25 32835236.98 58480937.3 65596662.86 17036103.99 19605350.47 16612666.67 14394953.81 18549789.28 18297362.83 19445315.24 20584273.95 13255129.51 24304520.32 19557259.97 19791708.5 Pelargonic acid 139072934 84773756.31 164936787.8 97223787.27 97457944.36 141764907.5 162061217.7 152004815 132490011.8 31951233.33 157547779.9 128253017.2 152391259.7 108108409.2 115035805.2 124974635.9 238497821.6 160822302.9 123689442.3 66258566.44 86430019.66 57631963.26 40371681.22 65309554.42 56512641.14 68631239.03 57985678.79 78434886 103659486.6 80065650.01 68874396.19 80760211.34 74212750.86 92254835.72 75294616.09 89010727.9 77775131.45 60481531.93 92905385.92 95050179.56 91100099.76 74914270.17 77290153.95 68778868.52 68263921.16 66681499.23 85178172.38 90086786.24 71842525.45 82122673.57 84771171.19 103823764 76709472.06 62769568.47 77886705.86 91479596.43 87710383.49 72581263.47 81460533.06 90297431.38 Pentadecanoic acid 17068372.31 13531359.29 19201204.97 11806522.28 36037157.43 25527365.02 22776167.73 26265157.08 20949793.97 10973486.85 25461692.58 17201679.08 26270762.38 44875371.24 35049412.4 22701732.34 20190376.48 21979795.05 68015949.36 38979365 52147241.08 82174814.6 44097729.83 49993183.29 71041224.33 151245030.9 178439521.2 138030847 95796610.44 135290742.9 42431888.62 37914356.66 38109263.78 32365112.03 39148193.06 34897974.21 33439981.96 34095799.75 42656565.15 27250015 34876921.3 28868553.82 71121478.48 72355398.68 95319518.33 49130398.68 52103070.92 38780389.34 71584753.8 74793640.75 65159468.69 75109932.84 55010984.31 56690792.46 43839158.53 50876030.01 58594758.22 43788616.48 54627775.09 47042237.46 PG(16:0/18:1) 108487221 23643231.93 94264101.38 30660039.67 70096956.87 76820656.86 100458325.2 89707964.36 120780644.8 24090142.9 127873150.1 85221211.85 44501632.26 70173402.19 53327811.54 75829294.39 93203433.06 84307702.66 65960054.42 33543807.28 36308193.42 45851363.86 35582297.51 62770248.44 44258017.34 79089939.31 63821362.48 78047136.93 82578969.34 52761974.12 6051615.266 6391148.047 10850330.76 6455978.13 5163980.279 7643800.94 10727425.32 7299924.833 4239018.016 7503549.256 5250349.274 5995311.319 5010223.921 6166785.504 11377266.58 4709830.538 6756628.803 10927748.29 7301863.739 3099045.142 2995129.27 4021794.954 1973309.394 8287145.078 10741211.17 3060037.904 3686051.624 3195868.797 3802571.236 2200235.745 Phenylpyruvic acid 15548900.83 16079202.97 17293404.34 19727263.66 9537711.788 7869506.079 25069669.93 9975970.12 8830357.702 8210769.181 15304750.01 6145845.312 3106570.418 40684337 7790225.141 6967024.816 44600698.19 27948503.14 10089301.15 14124751.49 6366700.484 14725943.35 11005304.49 15880768.1 11778229.33 8619164.696 3149564.822 9928569.997 2296138.362 8599915.912 6364593.709 6263197.491 6748455.195 8436516.575 6148321.346 6852698.351 5678552.906 7588105.328 5236406.229 4687444.962 4766485.65 7595881.47 3105491.814 5225926.369 5533082.822 4690135.463 2197023.058 4236424.455 2445277.633 7517382.103 3462040.614 5511665.821 4691751.096 4259426.823 6103325.67 5417158.654 6891870.811 5493409.652 8853564.649 5526777.75 Phloroglucinaldehyde 980329.958 465826.2882 2346034.557 549515.9056 571003.0015 592558.7796 909866.6702 937975.7116 2997197.218 489545.9117 664033.0548 705493.1066 6463200.834 7853282.926 29106521.58 1062869.368 1216320.826 1163529.65 17326986.12 984029.8064 2118584.197 4176060.271 547759.8177 2382917.04 1450228.415 4178301.114 1485347.341 1322564.192 2360318.603 1951741.586 9901574.25 9966248.462 3067878.352 1073965.626 8905064.305 0 1647350.222 0 431668.4847 2285727.191 3046916.839 158138.2377 16357571.97 28468324.01 27141857.19 6637123.313 5801949.86 2156126.298 4596791.72 11390614.87 8993230.015 7725897.396 5869161.979 5759397.227 14538011.62 14566828.17 12142370.78 15343306.12 17829018.3 8256861.646 Phosphoglycolic acid 30334259.31 12785687.91 37392861.19 17482844.88 25894352.58 39752221.16 44138639.21 50238089.89 51094343.12 7544385.537 45820844.04 59012323.63 31623081.57 81316199.22 24356647.5 30074304.82 49420021.75 61711478.87 53362065.13 32178000.91 31048339.28 29005519.5 14690268.33 27849034.42 41192247.02 86432349.56 150601301.8 89192056.26 58380563.78 107825682.7 483286.1238 375052.8586 177356.02 272901.9198 406522.1897 298652.6924 432283.19 373715.1423 561767.738 245767.6344 307432.0386 326267.0459 518190.4154 451032.3287 450211.3258 298805.6558 280825.127 295482.9506 255488.2856 181595.7328 4414068.231 245943.6672 295881.6301 366982.5117 120161.7308 199390.9186 4414546.297 411180.0185 210639.1005 78717.8367 Phthalic acid 2258037.351 2739684.754 3721164.782 1714171.002 2549881.976 4317592.457 3182014.151 3069980.943 2684977.49 1400677.383 2773897.737 3777549.898 3239182.636 3125913.145 5411739.928 2804963.687 5548374.602 3786463.45 9696782.769 1457568.071 3912170.905 2573599.07 1579591.196 1678521.849 5428282.833 13085859.59 9545206.751 13611681.77 5209628.101 6557811.73 1878387.653 1950772.495 2176096.491 1402338.248 2625640.892 1855512.421 1893064.391 2653109.712 2548115.223 2142868.924 1950689.914 1317411.475 1450036.539 1759042.478 1506884.305 1788234.414 1341905.477 2095371.9 1695580.962 1258635.217 1448732.774 1996865.217 1526591.131 2139793.139 2440432.661 2056397.909 1439758.217 1408126.695 1741316.131 1485943.663 PI(18:1/18:1) 2298687.72 667664.0306 1754690.615 699767.6818 1494015.216 1821853.66 1847035.744 1911065.339 2813760.324 820488.3431 2343169.735 1835144.439 1161947.986 2145929.56 1730641.236 1844314.096 2092298.402 1785026.871 1900671.797 652211.0631 2289172.577 1650711.988 923683.0467 2200165.753 4774343.602 373294.9604 298102.128 280354.1829 2168098.92 442617.781 515203.3967 550347.4586 459098.6469 811061.5958 520066.0607 2308163.572 1141703.437 150258.3093 1074950.277 632175.8322 0 2588639.473 331324.3138 183088.367 388899.5722 912833.5135 1097328.843 280070.3612 552991.0477 416512.6714 446641.0849 556216.9325 369581.2209 591097.0712 448686.5895 313919.8521 393258.619 226097.0007 309164.5818 264674.0818 Propylpyrazoletriol 3496273.979 280707.0943 6820953.546 395120.3769 7293012.236 2162378.211 2389019.168 3117479.737 4349113.699 71304.41381 2169870.788 3148870.054 1484753.975 4229612.208 4505817.505 1904131.077 2963727.131 4032602.434 5798693.712 162453.5681 102195.9012 535886.1132 158145.16 154606.0311 634106.4496 2326357.352 1839516.285 1233542.183 1598148.066 1482396.761 1978459.724 1837503.28 2789156.68 2623259.589 1475148.258 2444822.354 1105727.855 6679803.033 1228656.783 555249.2684 3360777.246 1651588.347 4869172.063 5163285.901 5042903.723 1473127.777 3953433.908 2417369.059 136566.6899 4005069.35 564661.2097 316554.8383 1065147.07 217920.8425 249207.5213 78192.13014 388180.9327 1025472.148 953437.5628 296744.9626 Prostaglandin A2 29890107.7 10866986.1 18086047.34 16706546.65 17107626.02 27807280.12 22446776.14 35455516.55 20501433.77 2870297.572 11171335.6 20394505.77 15291162.67 24712310.97 10199070.58 17790175.28 25880849.46 28731452.72 24543171.79 15787085.37 6515867.567 10111098.16 7364126.46 4890864.277 8399380.063 18152925.34 31770794.42 14361725.63 14796671.44 10046748.08 6630723.867 5090208.46 3415776.627 3183344.31 10336087.7 5052670.525 3117568.276 1593836.103 3785986.685 1773731.28 3507207.072 3474711.755 9018274.66 14808019.37 16095888 7185748.819 4813816.82 4750695.49 3741200.258 6088598.642 3702506.018 4464729.839 6122483.175 2938146.666 1380331.013 1396933.78 4033598.861 4511438.363 4935073.897 3159615.795 Prostaglandin B2 (PGB2) 29890107.7 10866986.1 18086047.34 16706546.65 17107626.02 27807280.12 22446776.14 35455516.55 20501433.77 2870297.572 11171335.6 20394505.77 15291162.67 24712310.97 10199070.58 17790175.28 25880849.46 28731452.72 24543171.79 15787085.37 6515867.567 10111098.16 7364126.46 4890864.277 8399380.063 18152925.34 31770794.42 14361725.63 14796671.44 10046748.08 6630723.867 5090208.46 3415776.627 3183344.31 10336087.7 5052670.525 3117568.276 1593836.103 3785986.685 1773731.28 3507207.072 3474711.755 9018274.66 14808019.37 16095888 7185748.819 4813816.82 4750695.49 3741200.258 6088598.642 3702506.018 4464729.839 6122483.175 2938146.666 1380331.013 1396933.78 4033598.861 4511438.363 4935073.897 3159615.795 Prostaglandin F2alpha (PGF2a) 9671371.887 9233491.388 5598890.562 9960761.807 8960814.702 12741040.08 9592286.647 19839066.11 5455896.073 1433411.088 11705612.78 6157246.839 6172002.195 3880396.828 2673344.484 7663387.371 5431373.825 8213549.393 8622683.699 6443515.853 4926053.876 7515416.652 4394507.687 4086717.415 6849891.438 7997440.362 18916872.02 6782105.14 9006457.108 4206638.704 710020.5294 2398933.15 10305678.9 4426406.471 2917751.33 1276017.247 3668216.647 3486715.877 5006048.144 2856722.714 4625568.158 2533811.117 15943155.11 18456051.36 15193414.8 3355908.346 7475478.513 9620353.642 1001236.347 45296659.13 4887911.56 5027749.268 23121115.72 3099053.16 1163555.779 1066031.225 4901346.675 3588181.86 3431223.161 2634256.411 PS(18:1/18:1) 1574130.79 1601342.104 5608875.687 474437.5563 1491221.055 1485291.616 2947687.103 1617994.144 2232907.796 876135.7613 21380421.26 2520197.695 1115321.533 1438887.968 1354217.241 2348725.602 2915590.624 1986891.572 2254831.432 843380.9231 636723.4237 4687928.314 4996045.08 32855490.76 2589189.517 243606.2227 3437418.692 375768.2111 5801242.539 1480864.982 856147.418 683760.9202 845785.1818 980328.1312 1282041.613 2026950.239 965956.4656 874038.1957 1295731.996 1465566.292 1114838.214 787812.4742 1020971.227 945405.1053 1337695.156 960088.1721 1111463.393 816567.4738 924374.6003 1090599.252 686849.3861 864312.4844 797504.7676 885793.7819 682402.3258 706860.7735 1051595.662 942600.5829 788621.6206 925445.6281 Pseudouridine 27726523.98 7212218.001 17463916.31 11644181.4 16605390.01 19247330.36 15984346.75 13182319.05 22127950.26 3104433.096 17365999.34 15142904.85 7760680.433 12602220.95 10661109.02 8661516.084 25523883.28 27388308.55 12435273.7 4201670.723 3413477.531 5832574.116 4100329.768 4737898.979 6492410.745 14891561.81 14808862.58 11448467.32 13278014.04 12765092.27 30137828.45 28152295.95 23493764.95 42008208.35 26570007.33 40938280.92 24076037.33 42739298.68 20970925.92 32349146.98 28254199.17 30887185.34 18150169.35 19069934.59 19669124.54 22985978.62 36457944.6 29627552.47 25458776.27 18477224.86 26945023.35 23502201.95 29878012.02 25595748.75 17452684.1 15294342.68 16268061.79 16574535.93 16833919.86 16524484.18 p-Toluquinone 14485632.94 12281016.09 15277206.41 9784657.714 11255236.34 19845915.83 12594242.4 13150455.47 15445755.61 6652438.177 12718700.92 14748198.08 11818179.1 15756362.84 36680675.8 11704393.73 17266484.23 15680347.99 12979580.91 8033689.879 11070112.12 9836596.659 5723990.378 9992009.775 10052924.95 15235464.73 14896943.4 14344751.3 11525923.09 13899793.87 36340847.34 35067801.99 32202785.21 40210179.57 33149246.38 50542241.53 27977087.34 25592027.28 35781421.47 31951089.17 28384993.85 24532273.58 37560456.96 33631713.48 36090492.12 28399518.18 33465808.65 32018881.74 24240293.33 28315645.52 28577285.44 32213281.5 24888289.23 22220639.48 32326169.02 41931215.42 31787751.68 24465584.5 33581346.03 29920076.46 Pyroglutamic acid 156130255.6 48840505.97 156233533.8 52787261.18 126442009.9 152187188.4 141958900.8 133721511.6 258333197.5 26195667.87 126810520 190166441.7 77994043.56 149466186.9 61318327.23 78019779.92 160874807.5 195174462.4 126569127.4 37511674.14 20728651.86 33805966.01 27780881.68 23455106.66 32739094.49 69904789.14 68020568.34 52389021.32 96775445.37 47488998.27 73850599.15 61283607.01 39061647.69 28511288.59 60262641.38 31526140.43 29627441 43918254.65 34568311.57 40703625.86 52874937.61 25981348.75 62975415.49 62358727.15 51215034.49 34437409.61 44100887.59 41723793.27 29958907.51 71195084.09 43176420.47 39069196.94 50661576.82 42077757.24 38147784.28 44382063.71 41090441.42 45389492.82 35184482.75 49467651.56 Pyruvaldehyde 6444597.794 1803073.286 8482111.045 1894915.096 8177621.852 9174586.609 7247202.393 15501042.48 9496417.024 1772891.389 5873942.595 8295211.25 7176765.838 9898739.158 5508043.567 5723417.412 5182429.366 5154669.366 9950109.277 3568263.496 2689244.995 3261954.457 1849406.083 2602097.542 4668004.419 7078071.742 8044879.225 5759364.46 8182598.546 5880189.679 21831986.11 18307534.46 5096782.086 3495822.534 21390138.82 7562274.649 5602631.906 904966.233 12784094.33 18335312.44 19051722.81 5345461.231 30279451.18 27784446.78 26470233.87 23061396.05 20470673.58 14258416.74 55807756.24 27998627.33 49326761.89 47393005.66 35461974.11 41982051.63 43917225.26 48379180.84 45651003.13 25185423.03 39271434.02 51173211.44 Pyruvate 658486422.6 118680852.2 418191567.9 179327878.8 485235258.8 368359848.8 326490288.1 690858006.3 339442297.8 84589926.9 449305566.8 459620480.4 347495388.1 143624816.6 271219334.4 292695210.7 236375396.4 156481882.2 598757709.5 349953296.3 201620093.6 311080883.3 242894339.7 254248387.9 526371023.7 845325364 606317101.6 576679150.1 1126823668 932576862 1934477928 1549186028 1238698160 826374316.2 1773380524 1230088333 1329346234 2391772219 1687442284 1818315475 1253119605 1205524234 3040117449 1726828091 2182912482 1802114778 1820043299 1488894016 1431264372 1912822856 1677221462 1950445332 1763007488 1677077425 1989744774 1914256035 1968244386 1959049857 1958342020 1756587832 Rhein 7868621.133 7686859.202 9573615.068 7004663.84 3942693.388 4530020.61 4120117.215 12294937.88 9004742.027 10350530.45 9899111.4 3615707.53 6537119.482 4044320.918 6120316.968 6240430.727 10848553.45 9112193.256 8294010.174 7892265.965 8442730.994 8261653.828 9043796.897 7129885.783 13421340.85 10119537.31 10794289.59 4672578.588 10454441.17 12251501.89 1220977.991 1414154.177 1104696.112 987609.942 1245593.592 1117261.576 2630550.861 362508.745 1202421.596 1343249.962 1499126.356 1074213.393 1229779.822 1306298.446 1284911.879 1531806.722 1380908.567 1052280.011 1832434.167 1208876.715 1435535.309 1595444.331 1285145.378 3205997.311 1308800.453 2251194.618 1839037.24 1409115.146 1369535.876 1366703.078 risedronate 7405442.826 10187148.44 8353435.102 10594594.04 9264069.057 10018694.48 6591700.614 9074309.029 7651031.321 11317613 5754525.91 7507153.422 10245952.46 6973472.743 9601086.708 10587430.19 8914874.661 7187788.604 7349147.343 9790311.058 11275157.14 10985177.92 11558390.89 9722174.907 10895285.46 8782537.069 8433170.579 9769694.762 9259257.13 8601040.088 3298069.641 3283278.296 2665499.276 2865595.708 3222966.893 3213027.557 2603885.346 3090634.33 2878967.687 2906367.456 3198551.473 2874687.351 3313194.143 3182729.97 3032933.306 3349748.194 3377741.489 3029162.595 2646325.653 3161711.982 3016206.452 2999011.305 3161229.679 3031911.027 3207524.888 2944524.121 3463042.23 3125833.449 3085041.864 2798681.361 Saccharin 1213552.811 729799.2687 6261903.852 642671.7928 848386.4919 931512.1871 2076602.833 2898242.796 1297166.171 916902.5365 1058470.062 3485073.643 52819094.55 34790162.98 157484016.4 839740.0513 1224539.576 1792492.564 167951136.1 4866089.037 6235462.038 17291635.28 2995145.406 32708377.67 15425884.88 19929258.16 9452790.407 14894519.95 34712825.1 11656651.96 82476790.38 54155122.28 19687217.08 9486953.255 69095062.77 5281406.769 15957635.92 7230757.828 13705419.38 15486177.61 37458697.56 2038633.371 102920404 119934623.6 63836046.18 27382810.52 22475529.26 71995196.08 25973075.71 79464325.95 19562481.31 59171537.67 29582100.46 39394548.38 79901648.41 67718532.85 55654413.43 143962550.5 93423355.14 54137357.23 Salicylic acid 6528215.884 3443827.818 6348203.966 229508.2663 1923620.915 5552744.661 2594544.636 1932384.837 5337521.862 2299774.779 2524641.809 4939773.786 31591877.64 11373628.57 77518809.51 200170.6557 2781110.576 450162.6599 16660844.38 11559052.16 3772875.325 8394500.739 3892984.235 24933818.35 39189.1805 2956375.028 1771998.727 2036962.644 4045513.243 3604487.558 92849310.69 68812727.23 11980853.78 9789140.034 65514599.75 242766.0571 2504502.175 24921934.36 6424291.949 21853233.05 33691015.7 7402405.903 113606547.5 147507843.6 161360945.3 39397933.03 30968804.39 107152.0185 19214521.88 62297239.58 59377709.16 48520365.63 35681895.7 22460832.58 88451923.26 156789169.5 93274636.95 105743123.9 124548423.2 124440407 Sebacic acid 197070.5154 199374.3502 271326.5122 149382.8165 286947.0703 437754.5069 193379.1388 239691.8641 203331.5606 175037.0345 200775.4248 277268.9384 312116.2137 208145.6079 1378262.976 210201.2206 224224.6664 205472.6938 1967575.891 172045.2594 285459.6797 357414.6519 157931.5145 603563.334 390447.0159 617828.8661 439710.1023 348289.6765 655006.0869 612370.0822 519291.6713 606504.2495 203645.755 325264.2834 414542.9182 321385.562 125899.2584 649923.3378 141403.6887 151436.5732 172488.7087 603070.7927 458594.8386 330825.5993 334038.782 240911.0804 253809.4871 156228.9537 266355.0755 294671.1976 366263.2032 249949.1383 245290.7859 262394.3703 323945.5872 334892.7528 422782.251 347471.4143 346006.7092 278447.3172 Sophoraside A 14799.77816 0 0 0 0 0 0 0 15009.54018 0 17439.37836 0 284664.34 156603.9168 203517.8032 0 0 0 2467294.73 8816.204558 0 0 9392.802501 28661.34051 108916.8975 926495.2338 0 144180.5629 344053.2844 666173.2313 233365.0959 303689.0116 0 0 254238.2479 0 0 0 0 0 0 0 1363825.972 982886.4177 1273624.127 106042.8199 58128.48538 0 446661.3921 975274.6643 519536.7201 474548.0788 215343.2751 0 31226.79001 575166.4738 669340.1854 828564.6636 849037.4813 680765.3046 Succinate 65345969.15 22512562.84 69260910.84 27143820.29 65284312.78 116274488.9 73057211.54 73208671.32 70961250.19 26679363.58 70285470.63 48935242.81 89152432.76 72972167.19 82502056.41 68610820.33 64977625.87 65330015.15 62361844.86 48599719.36 42596679.66 110603532.6 42161024.38 55209681.38 72786510.52 102194324.6 103544657.6 100257014.2 91400637.72 84505843.31 1871086.052 1665058.794 796541.3531 769174.9788 1869387.085 1118231.359 780720.5788 721779.8424 979979.6726 1326756.934 7334840.869 882506.5065 2534562.69 2370267.016 2418685.864 1653535.541 1625997.48 1459782.611 3096375.341 3360054.52 2119982.934 2231516.867 1676939.678 2885068.794 2366244.011 2095278.08 3435854.953 3158256.369 2183905.28 3002057.467 Succinic_anhydride 73658147.88 15116066.7 66794561.85 12443776.04 47375156.57 45599534.55 51981975.25 65630754.29 54135465.24 9186421.054 52117374.96 57358171.85 50721842.13 55180458.15 54049794.66 30367902.54 58873981.2 52441951.65 88501271.23 11798839.4 7289851.243 16814592.96 13099449.78 13161859.12 47818140.21 53932276.03 51945539.4 41989859.19 67473583.5 42008847.78 14043652.06 11714821.3 13209436.5 6893443.491 10719512.59 16479040.06 10213759 19486609.18 9537217.289 10037514.58 11954866.4 9301171.638 10232951.71 6916663.975 13524231.87 364123.6846 9741341.56 12150531.05 14106067.48 11021074.68 10340818.83 20312007.82 14665888.4 8146303.525 12218732.1 13172752.76 9796732.999 6219174.694 13412387.33 12684404.8 Sulfoacetaldehyde 2517774.793 612865.5989 1746809.894 756337.4675 1298573.306 1319667.399 1167734.821 1319981.846 2385314.522 685530.2375 1315871.662 1378627.777 2656902.269 1964065.102 2414345.837 1553636.443 1391383.418 1971028.042 2593427.435 975927.9122 1060892.303 1733483.092 1033112.526 931129.339 1841269.998 3205921.067 4263107.641 2705629.8 3108975.056 2294123.63 5466695.467 4487419.637 3583622.273 3452337.341 3323265.438 3838902.444 1987771.391 5561364.603 3430148.184 2553165.847 3957544.504 3869352.05 4031606.454 2746640.969 3074105.177 2617505.434 3915686.072 3455950.517 2165902.849 3974982.759 2600499.254 2746094.818 3680641.424 2645439.943 3308096.705 2267010.935 3209618.563 2910773.98 2768320.356 2616616.714 Tartaric acid 4022353.342 5905638.234 1846126.923 11634672.76 2196261.782 2080260.195 2867063.459 1999813.525 2756364.465 2674781.638 3664814.431 7903903.885 3776903.294 4975087.466 2519990.622 2735654.127 23598673.33 1889874.041 1666349.752 1965067.517 2133703.459 15981086.34 2154163.059 3067652.395 9361119.458 3207964.565 5917135.326 2635567.86 1558727.62 2301494.634 0 0 826174.6883 0 207762.4437 0 590726.6174 2329598.807 0 506426.8552 1189403.305 0 0 1399219.329 422034.2285 400590.6137 478765.7665 450238.4178 426537.5901 1609581.031 395417.0302 373365.5694 235230.1525 186318.4358 1443074.308 687994.8298 429475.0839 2205342.044 1301287.216 690498.9219 Terephthalic-Acid 41190158.12 54283525.24 38318586.95 54035695.59 41587437.04 43509272.27 45557202.27 42277035.61 46720811.8 64001497.33 40736920.6 51590087.91 52552572.42 51058597.22 58658193.65 48347185.32 44281291.05 49369594.24 50311740.17 60331021.08 60336801.46 53347413.6 57514238 48852599.79 41326822.23 50147709.01 47566326.53 49421320.52 43983229.65 37786016.29 15888426.52 16090975.85 14899044.68 15197799.87 16307844.51 17152271.82 15257069.23 15195379.96 15232536.24 15614100.86 15812437.59 15277847.46 16687861.67 18402288.94 16595407.23 17708081.1 17958451.87 17243354.62 16077310.05 18039577 16791248.42 15522919.47 16298066.28 17565266.09 15826398.5 18358947.47 16021001.92 17203199.12 15322574.74 16004998.84 Thieno[3,2-b][1]benzothiophene-2-carboxylic acid 5688656.598 2302817.962 639080.9216 3034166.176 372718.5841 333715.4588 483751.7815 682654.9445 499519.5895 1475698.278 4732141.486 713971.8419 6123597.963 5091651.096 442045.1317 3809234.016 5446075.799 7475772.986 6579045.261 2983650.003 1714923.402 3318202.07 219691.1867 152051.0218 2227681.627 5381926.729 4762591.704 4059886.465 4234278.815 2690007.652 6310881.364 1568742.207 0 421528.7387 955088.558 752856.6063 0 1662357.273 563906.8019 94158.46869 485723.1773 335713.6589 462817.3778 693549.7912 638756.6522 238587.5543 1620334.956 27592.74044 331549.8336 220253.4129 323810.0027 383842.9871 262820.705 389016.9912 361191.9307 354234.2547 326501.3657 364904.4187 416843.9117 485138.3023 Thiolutin 554299634.1 67207090.55 506100048.7 36466368.09 374356856.8 412605008.7 471475962.5 250543616.3 506270810.9 27187714.44 358780422.3 237826620.9 304551022 485336472.7 257000191.3 348247266.7 540358030.8 468153069.6 548112556.7 59871714.73 79098404.91 164267907.3 79620100.57 28158371.84 231482007.8 505452175 381633037.6 403406096.3 458879933.8 242580464.1 6734018.967 10072034.72 21373086.75 30712670.35 4268573.632 47551371.03 7811862.003 69679375.04 17327610.78 3334780.746 4432763.163 25251667.67 26532193.71 2609616.35 4939730.403 19046914.11 8715356.44 21097410.3 7625968.005 24269638.06 2123702.046 14420522.89 5995253.871 2218917.716 1986137.347 1164381.542 1357727.208 4290563.678 1485373.221 6537652.031 Threonic acid 27053397.45 1939724.455 24899761.79 1794082.935 13057166.03 7666258.205 15076314.42 20491495.61 21636150.16 2149787.282 16295510.22 18207165.66 4566427.549 11421204.78 5190013.21 8177084.801 14635382.85 23303876.03 18639570.54 2068987.575 1792471.403 2572768.089 2014959.255 1974371.139 1719855.045 9827528.682 17310416.05 9464907.802 14277773.46 7244837.83 675814.1492 332213.2561 227543.175 553077.9581 369318.9883 599350.9493 137257.227 488468.2528 150909.3791 227075.6224 263595.3911 267856.4502 263717.0377 419424.076 337201.7098 168539.8766 509099.3331 404188.1703 134143.907 461662.3883 167319.6279 250000.1389 132012.5998 117414.3757 224006.7621 176518.4523 406925.5505 303638.6429 287542.0937 118338.9902 Thymine 29247969.74 11259700.18 21142272.56 11911934.97 8785053.033 8668650.707 12074125.93 7088429.974 12571457.26 3243989.605 12565127.87 11921426.53 12166015.14 7640567.01 6050692.681 4334978.302 14991061.89 20529232.21 19212322.04 5239001.812 2428269.751 8382815.946 3862820.336 3913674.848 7283207.609 21419763.85 17584556.77 13291858.56 13012114.75 14712163.75 4512806.128 3353811.672 5203717.036 3711694.297 2103151.354 1929881.332 2854126.576 4270382.483 1748267.477 1744206.101 2565067.93 2243959.987 1447078.111 1354006.668 970648.1019 1387083.707 2137311.053 2895827.046 2046157.688 2539197.749 1958247.661 1797598.394 3717456.858 1518229.342 1373133.723 1805877.694 2144955.237 1521709.426 1521480.871 1610912.243 trans-Aconitic acid 38499300.22 93958602.84 68951698.6 28878454.26 41802661.98 21014649.62 46123102.63 60770184.64 79169954.9 34216217.93 47735624.78 74739667.71 21432758.8 87310377.89 14533005.65 83815023.76 80723471.11 132615338.9 83766176.5 86298135.11 194506780.2 57587347.57 16339246.95 68182772.17 47013725.25 30805259.23 92052233.31 31024481.63 43001203.36 15514851.55 50493928.65 33225416.89 24648202.65 25154266.98 34546833.81 19708750.53 17536085.71 49846729.49 19531152.64 32482811.52 26270529.21 21800453.11 44071218.6 43985835.42 47564636.76 24946326.77 28753328.68 24605071.37 36179479.97 30151292.63 50004121.38 40718742.84 31824523.56 34289977.93 39349005.65 29961108.14 34085171.17 42120215.02 34691336.42 31366287.41 trans-Vaccenic acid 2417342416 1260599456 2345726045 1263968550 2548339963 3715440576 1907506930 3078311152 3372891752 1179772562 4018775036 2360076713 1790660720 5363008891 3137531626 1703574587 2203037101 2055912385 3185940672 1685613028 2280650888 3129577625 1991740648 3378833274 4886532199 3623607754 3277116054 3532245701 2940213379 3423230474 5494642145 5123850643 3301854307 4616229453 3231008107 4560260356 3771163040 4455129860 5696837488 1650716325 2341023786 6860120070 8653735626 7089848851 5291560640 3522816165 2866341173 2079878052 3617111423 9806472102 8069806969 9027110013 6763765172 3439198179 3976757838 4421647666 5457768372 1973160131 5153833892 5225882411 Triptophenolide 104606590.1 279656247.1 188806969.1 53919319.29 83146150.9 220927335.2 172278136 122252057 116524833.7 43497077.89 256846068.1 169862113 157400829.4 235313122 172212053.4 127241935.8 149206126.5 166392613 243220652.2 205306203.1 70940063.36 111457739.1 66172336.75 97212402.97 124188523.5 102716466.9 125016295 208736930.3 147983889.9 196474536.5 384091573.5 140108371.6 213917826.6 102552619.4 154500727.9 774162166 73960346.7 200956634.6 109532406.6 114927467.8 102185691.1 175559414.5 64901089.57 467975525.5 146253034.5 493393254.5 281208632.3 134723826.5 142500077.6 173073904.1 181695588.9 203315786.9 54095768.99 75229885.89 242502666.4 56204177.96 179110912.1 138584817.8 133317905.6 216341461.6 Uracil 870497170.4 400484839.8 837422742 478436399.6 907096160.3 973853356.9 729354657.2 773188393.4 975941262.1 293271782.5 704361038.6 835012988.5 711092304.4 986668096.4 715854362.4 491941059.9 906920141 700227982.7 856110676.5 433689170.4 204886762.7 476321319.9 287485333.9 257282609.4 613702701.8 1321012265 1180672602 961374567.6 1015683497 1030074629 120559687.3 118641921.9 97325162.51 110736790 97316561.98 98681328.82 98733032.82 77031556.37 103169808.5 73961226.54 48962843.87 193860488.7 79061117.16 76669673.27 65722734.9 44985629.9 83169335.3 54371029.51 56664854.67 67033533.14 77578278.58 78204348.71 89762703.79 63014461.2 57684388.21 64685829.4 56667209.68 79581724.56 55588844.24 71809022.01 Ureidoacrylate 4041391.169 4196050.95 4390882.061 7985201.159 3549966.545 1308351.229 3913542.636 7032606.105 4199784.631 1502842.07 3612391.413 5418973.194 5302125.545 6687412.083 1428811.737 4731275.42 6335851.977 6665799.77 3592198.841 4015697.586 2562595.206 3658359.264 4738645.247 3419902.02 2707759.243 2717736.567 2695155.651 2505319.97 3205697.922 2957345.954 1527439.774 1501604.939 420240.6094 924316.4889 1707611.585 861798.3329 710947.6848 706897.3357 736735.107 927302.1549 1233989.369 632232.4659 2496799.892 2047344.667 1995031.233 1147017.244 1545785.155 1000744.24 2557804.232 2831102.689 2394528.199 2674762.931 2293558.125 2050170.702 2571074.96 2567875.647 2139131.378 3317492.393 2460629.95 2348839.496 Uric acid 4762997.737 2308978.617 5358114.204 2858143.257 3312482.663 4428551.216 4340871.333 5563997.769 5745628.751 1548030.484 4449310.542 4342950.425 2622442.27 2996230.916 2272214.289 3952448.1 4970355.659 5211053.844 3654999.427 1816495.122 1974034.898 2047187.238 1441999.051 1635142.258 2631593.148 4122613.838 4655298.396 2842970.427 2877064.23 3852740.244 75199.1323 118359.6739 55452.7464 68417.24482 93819.77293 222544.9921 283116.3353 53772.99133 258486.7018 135736.281 136264.9648 316928.3285 53698.94304 48814.13081 43716.23631 119310.65 147971.6793 47363.69264 41362.28953 21579.52131 45915.34544 51133.23426 46059.7531 98362.00422 62155.65512 49417.01696 46699.05813 102331.9954 54108.31724 46048.21881 Ursodeoxycholic acid 665042.3281 327192.7573 1388450.11 31951.65544 50713460.36 8228107.205 988118.4687 2701529.967 4263223.657 239471.3441 2882068.78 31424992.38 21040079.25 14524758.72 221322042.2 1552376.29 374592.4105 150391.6101 186245519.7 1641933.247 107947036.6 6207806.709 1812063.402 4680678.72 109177591.5 69146809.93 9398240.157 16172823.74 37873399.85 53760512.3 3638929.43 4687649.368 2733097.558 1970179.998 4131129.93 8721598.308 442774.7161 9221797.097 657908.7594 769181.0831 1096223.204 4401802.732 3112813.031 3930599.807 7218952.428 1933277.018 2215190.315 339841.1189 11920909.75 8557025.14 8475389.688 10802280.34 7365827.408 9418440.753 12101034.58 6974669.91 4034417.3 20169140.9 7190076.729 3677849.452 Valeric acid 1854779.936 1091358.592 5190659.131 1301185.327 3189729.184 2992440.417 2204668.959 11348649.1 3218921.79 1042888.882 4004832.17 11340107.79 14808782.28 7459343.015 180048688.9 2121582.454 3041376.805 1541999.624 51733916.21 3264551.726 2142631.279 5060664.723 2510153.918 8058130.305 2762984.683 2452774.097 1324142.513 3078758.585 4179001.919 2585511.207 5575069.715 6145819.031 7220005.651 8837430.712 8986718.04 12070061.98 6234402.34 6128866.244 6707661.137 5363322.996 4698131.959 6714878.023 5048436.911 3771238.206 4562463.099 5980290.082 5262933.76 4255746.997 2867172.109 3840704.545 3755134.434 3482656.458 2771229.198 3547313.965 4496104.192 4545803.51 4198474.956 5799677.988 3843828.171 3536143.469 Valproic acid 13266501.2 5568616.339 14809527.72 6880240.621 16186674.54 13928619.69 14019946.17 13306985.28 10942155.1 4006717.423 14160028.04 13350150.16 14304095.11 13098515.22 13396969.44 15520814.7 22370906.39 13125815.05 12765264.46 6195604.465 7466490.826 6249205.863 4642641.466 8951578.846 13916788.38 7080112.418 8500892.028 9909542.491 9097110.955 8550545.626 11146578.94 12989711.82 14774856.06 13137057.45 12045364.53 13750147.84 15186966.46 14039915.94 15790374.74 14670434.74 14008611.72 12530667.36 11188425.75 9932958.484 11051569.27 11108205.48 10893539.41 14353205.62 15423752.71 11211136.84 14518734.87 13874674.94 13545493.62 15733470.32 12804799.38 15036442.89 13266703.75 14192765.32 12123367.42 15018284.95 Vigabatrin 755084.4238 402240.5799 5209120.778 304606.3256 512813.694 363082.5435 473995.4152 1263964.136 1458533.847 198782.2316 1556344.56 616880.8956 1032131.362 3653757.223 752029.8287 1119812.657 1036597.362 1140750.052 2182698.977 321436.2299 740502.0438 468885.4257 322778.9036 770619.6572 668498.1954 865245.3405 2361130.217 742671.9457 1084333.156 629385.2848 713672.0056 538376.9947 2323388.379 1146539.698 610916.3945 444172.1763 357848.0296 604807.7138 735356.4145 786576.2384 924967.6145 469856.7418 999155.4638 2171260.616 818988.4551 488927.9907 957710.7206 965025.1475 940410.9541 706795.2208 712225.8295 933814.0566 598447.674 618528.9514 1007157.534 675330.9761 663245.6129 881293.8215 1505219.699 641797.1747 Xanthine 1600722053 187049340.9 1451945175 296370021.7 974747342.6 1019837234 1255522855 1233892288 1794429630 126794732.9 1387769466 1518269082 974901340.4 1436161526 1336392646 1062446614 1631978873 1711618174 1423237082 283776129.1 243483053.8 424658937.7 197597469.4 247015444.9 647712498.3 1277627378 1278989801 1025113036 1378025274 1197808726 395418.6286 225857028.4 158629.3916 108282302.1 168640011.2 409552309.5 408216896.1 88910.43694 364932565.1 308019359.2 291528147.6 436400572.6 815683.7094 36216870.92 69288232.3 176270830.4 315668345.6 293820.3393 146982.4816 427226.4461 668531.9462 259294.4636 531375.0158 57248570.36 529806.5995 241204.0534 896731.6256 230525871.1 511381.4168 545660.2372 Xanthosine 2990658.51 38648.57306 2830089.62 552506.0393 1530773.306 5326726.076 3711828.677 1748328.646 3144824.699 43832.1635 2942153.14 3068066.088 1701243.038 1373510.31 1622586.249 2524185.987 3811779.432 6968205.109 1498967.692 350633.9632 506318.8743 836901.0332 213689.5973 423068.6286 889005.3269 2128555.021 2530378.649 27496.80457 1564567.456 1831495.144 743415.9552 2261261.703 3507704.949 5472241.829 1066144.925 4730342.328 4920845.007 518531.7024 3591433.906 1967769.024 4341720.355 3138787.414 1156130.611 2998531.178 2799322.09 1312168.954 4198163.226 2063630.826 393190.9576 1009405.08 417524.842 402423.23 794604.8622 432004.6808 465709.254 358706.3038 555890.1619 1782715.575 763452.2187 616194.4867 Xanthotoxin 80492.60364 799724.5593 199012.9332 1086751.008 131327.4389 60675.51832 196456.7378 156728.7029 184867.7697 829138.6165 128043.9021 80091.08189 103084.9602 197831.1315 127373.6383 98567.02034 174834.8618 266139.5333 270817.141 91790.83153 85162.76296 134924.5697 657856.6482 56314.83016 111233.811 198459.4333 142395.9272 93030.77792 211694.3845 90831.73545 8286064.784 3556734.375 3442311.47 3049226.171 4895399.104 4716087.775 4078401.462 6252248.351 4254627.215 3186514.098 6506045.911 3417786.83 7249181.91 9967610.617 8020941.959 2954588.351 8036384.543 5468880.096 2034826.012 5254273.781 3134697.389 2929316.253 5841349.757 2966751.057 3898429.091 2340652.05 3054719.172 6591917.507 5785618.281 4109150.447 Xanthotoxol 309668.9441 312802.9041 1844490.017 325978.3944 271921.3527 2223984.906 1442210.413 1474488.555 149075.5873 2214392.983 927123.7134 1205244.571 5675056.837 4331467.249 306368157.8 1592136.293 2394310.543 1566987.296 62954964.54 7077680.224 3028062.779 9598860.13 3238316.332 26172671.62 4252719.041 13641838.35 24939837.38 12089736.86 23847761.49 17759744.7 245277225.7 370584.5132 3221124.459 5299774.21 245867834.1 5723657.572 2753535.533 6232715.878 3769965.401 34476746.29 15842105.97 3113261.784 772953.8862 152401102.6 252362200.2 59718901.49 62002775.43 1321529 94975243.78 395374989.3 415526306.2 200926994.6 114461414.5 116578035.1 119839982 464581339.6 250537720.9 362399.7258 633511683 378107949 Xylitol 10738443.87 2581504.017 10981238.82 5217853.565 6828666.519 9285869.917 10102022.15 9354823.162 11192234 2192471.999 10180662.58 9761722.88 10250410.77 8055440.197 10536803.47 6267973.081 10378367 10162992.63 10799764.05 2801586.103 2777020.233 3765319.637 2693802.933 2677576.216 3932802.202 7479680.829 8822794.243 6887787.654 7678305.782 6574537.178 304654.5036 279823.4413 1081977.115 309150.6341 381300.3414 336623.946 272586.8039 213330.2282 1137341.538 329427.4554 294255.8321 349024.0956 305841.3042 280979.065 344967.0318 485768.9548 271919.4976 256484.2402 302298.751 299459.369 303223.1297 282221.3921 258216.8669 281723.7911 289595.0336 231738.2846 326277.4657 253497.7383 307631.9715 297517.3109 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name mz rt HMDB KEGG COMPOUND ID Indoxyl sulfate 212.0022 7.6 HMDB0000682 Uric acid 167.0205 189.7 HMDB0000289 C00366 Terephthalic-Acid 165.0187 205.9 HMDB0002428 C06337 Sebacic acid 201.1126 188.7 HMDB0000792 C08277 N-Acetyl-beta-alanine 130.0505 161.5 HMDB0061880 C01073 N-Acetylvaline 158.0818 112.4 HMDB0011757 Tartaric acid 149.0089 15.9 HMDB0000956 C00552 trans-Aconitic acid 173.0084 244.6 HMDB0000958 C02341 N-Acetylneuraminic acid 308.0975 211.9 HMDB0000230 C00270 Glyoxylic acid 72.9928 186.2 HMDB0000119 C00048 2-Aminoisobutyric acid 102.0556 185.7 HMDB0001906 C03665 Xanthosine 283.0674 179 HMDB0000299 C01762 Allocholic acid 407.2787 125.7 HMDB0000505 C17737 Levulinic acid 115.0395 101.9 HMDB0000720 Isodeoxycholic acid 391.2836 54.1 HMDB0002536 C17661 2-Ethyl-2-hydroxybutyric acid 131.0708 40.9 HMDB0001975 Embelin 293.1746 18.3 HMDB0251767 C10342 Saccharin 181.9909 17.1 HMDB0029723 C12283 Mannose 1-phosphate 259.0215 257.4 HMDB0006330 C00636 Fructose 1-phosphate 259.0215 257.4 HMDB0060467 C01094 Glucuronic acid 193.0346 219.9 HMDB0000127 C00191 Succinate 117.0188 219.6 HMDB0000254 C00042 Fumaric acid 115.0032 214 HMDB0000134 C00122 Pyroglutamic acid 128.0347 172.1 HMDB0000267 C01879 Acetylglycine 116.0348 158 HMDB0000532 LPA(18:0) 437.2659 153.7 HMDB0007854 Pseudouridine 243.0613 131.7 HMDB0000767 C02067 Orotic acid 155.0092 121.7 HMDB0000226 C00295 3-Oxocholic acid 405.2629 85.7 HMDB0000502 2,4-Dihydroxybenzoic acid 153.0186 27.8 HMDB0029666 2-Aminobutyric acid 102.0556 185.7 HMDB0000452 C02356 2-Hydroxyhexanoic acid 131.0708 40.9 HMDB0001624 Glucose 6-phosphate 259.0215 257.4 HMDB0001401 C00092 myo-Inositol 179.0552 220.6 HMDB0000211 C00137 3-Amino-4-methylpentanoic acid 130.0867 157.4 HMDB0245808 2-Hydroxyethanesulfonic acid 124.9908 64.5 HMDB0003903 C05123 Benzoic acid 121.0289 40.2 HMDB0001870 C00180 Thymine 125.0351 30.4 HMDB0000262 C00178 2,6-Dihydroxybenzoic acid 153.0186 13.9 HMDB0013676 C21298 Dodecyl gallate 337.2037 13.9 HMDB0038720 2,3-Dihydroxybenzoic acid (Pyrocatechuic acid) 153.0186 13.9 HMDB0000397 C00196 Phosphoglycolic acid 154.9745 260 HMDB0000816 C00988 Citrulline 174.0876 222.7 HMDB0000904 C00327 Malonic acid 103.0032 219.3 HMDB0000691 C00383 Pyruvaldehyde 71.0136 214 HMDB0001167 C00546 Ala-Gly 145.0614 195.2 HMDB0006899 Glycylleucine 187.1081 165 HMDB0000759 C02155 Prostaglandin F2alpha (PGF2a) 353.2317 80.6 HMDB0001139 C00639 Pyruvate 87.0083 44.9 HMDB0000243 C00022 3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic acid 389.2679 42.8 HMDB0000328 cis-11.14-Eicosadienoic acid 307.2629 19.8 HMDB0005060 C16525 3-hydroxybenzaldehyde 121.0289 19.2 C03067 Erucic acid 337.3096 19.2 HMDB0002068 C08316 Hydroxyisocaproic acid 131.0708 40.9 HMDB0000665 C03264 Malic acid 133.0135 230 HMDB0000744 C00149 N-Acetylaspartic acid 174.04 223.1 HMDB0000812 C01042 beta-Alanine 88.04 199.4 HMDB0000056 C00099 Glyceric acid 105.0188 169 HMDB0000139 C00258 Pantothenic acid 218.1023 152.8 HMDB0000210 C00864 Glycolate 75.0084 147.4 HMDB0000115 C00160 7-Ketodeoxycholic acid 405.2629 101.2 HMDB0000391 C04643 Deoxyinosine 251.0776 84.8 HMDB0000071 C05512 N-Acetylphenylalanine 206.0814 82.7 HMDB0000512 C03519 3-Hydroxyvaleric acid 117.0552 81.4 HMDB0000531 N-Lactoylphenylalanine 236.0918 73.7 HMDB0062175 2'-Deoxyuridine 227.0663 41.6 HMDB0000012 C00526 Isovaleric acid 101.0603 39.2 HMDB0000718 C08262 Valeric acid 101.0603 39.2 HMDB0000892 C00803 Uracil 111.0193 34.4 HMDB0000300 C00106 12-Methyltridecanoic acid 227.2006 22.6 HMDB0031072 Heptadecanoic acid 269.2474 20.5 HMDB0002259 Salicylic acid 137.0238 20.1 HMDB0001895 C00805 alpha-Linolenic acid 277.2159 19.9 HMDB0001388 C06427 Oleic acid 281.247 19.9 HMDB0000207 C00712 Eicosapentaenoic acid 301.2159 19.9 HMDB0001999 C06428 cis-11-Eicosenoic acid 309.2784 19.7 HMDB0002231 C16526 Cholesteryl sulfate 465.3017 13.9 HMDB0000653 C18043 Gentisic acid 153.0186 27.8 HMDB0000152 C00628 p-Toluquinone 121.0289 40.2 3-Hydroxypyruvic acid 103.0032 219.3 HMDB0001352 C00168 gamma-Linolenic acid 277.2159 19.9 HMDB0003073 C06426 Oxalic acid 88.9876 223.6 HMDB0002329 C00209 2-Hydroxyglutaric acid 147.0292 223.3 HMDB0000694 C03196 Threonic acid 135.0294 177 HMDB0062620 C01620 2-Methyl-3-hydroxybutyric acid 117.0552 98.7 HMDB0000354 Acetylleucine 172.0972 97.8 HMDB0011756 C02710 beta-Muricholic acid 407.2786 94.2 HMDB0000415 C17726 Isocaproic acid 115.0759 33.1 HMDB0000689 C21399 Valproic acid 143.1071 26.4 HMDB0001877 C07185 2-Hydroxystearic acid 299.2577 24.1 HMDB0062549 C03045 12-Hydroxystearic acid 299.2577 24.1 HMDB0061706 cis-9-Palmitoleic acid 253.2161 21.2 HMDB0003229 C08362 Docebenone 325.1827 14.9 HMDB0247732 C01349 N-Acetylalanine 130.0504 140.1 HMDB0255053 Ursodeoxycholic acid 391.2836 54.1 HMDB0000946 C07880 7-Ketolithocholic acid 389.2679 42.8 HMDB0000467 Myristic acid 227.2006 22.6 HMDB0000806 C06424 Caproic acid 115.0759 33.1 HMDB0000535 C01585 Caprylic acid 143.1071 26.4 HMDB0000482 C06423 Diglycine 131.0457 203.4 HMDB0011733 C02037 Vigabatrin 128.0712 178.3 HMDB0015212 C07500 Mannitol 181.0711 162.3 HMDB0000765 C00392 N-Acetylmethionine 190.0535 101.2 HMDB0011745 C02712 3-Phenylpropanoic acid 149.0601 34.9 HMDB0000764 C05629 Lumichrome 241.0718 26.4 HMDB0254199 C01727 13(S)-HODE 295.2264 25 HMDB0004667 C14762 9-Oxo-10(E),12(E)-octadecadienoic acid 293.2106 24.6 HMDB0004669 C14766 Palmitic acid 255.2315 21.2 HMDB0000220 C00249 Arachidonic acid (AA) 303.2312 19.7 HMDB0001043 C00219 Lactate 89.0238 116.3 HMDB0144295 C01432 Xanthine 151.0252 111.8 HMDB0000292 C00385 Hippuric acid 178.0503 95.3 HMDB0000714 C01586 Allantoin 157.036 88.2 HMDB0000462 C01551 2-Hydroxy-2-methylbutyric acid 117.0552 54.8 HMDB0001987 2,2-Dimethylsuccinic acid 145.05 37 HMDB0002074 Dodecanoic acid 199.1694 23.7 HMDB0000638 C02679 Pentadecanoic acid 241.2161 21.9 HMDB0000826 C16537 Phloroglucinaldehyde 153.0186 13.9 HMDB0125090 3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid 389.2679 42.8 Citric acid 191.0189 225.5 HMDB0000094 C00158 2'-O-Methylguanosine 296.0989 100.6 Pelargonic acid 157.1227 25.7 HMDB0000847 C01601 2-Hydroxypalmitic acid 271.2266 23.7 HMDB0031057 trans-Vaccenic acid 281.247 19.9 HMDB0003231 C08367 Itaconic acid 129.0188 204.1 HMDB0002092 C00490 5-Oxooctanoic acid 157.0863 41.6 Gly-Val 173.0925 164.9 HMDB0028854 Prostaglandin B2 (PGB2) 333.2056 37.6 HMDB0004236 C05954 16-Hydroxypalmitic acid 271.2266 23.7 HMDB0006294 C18218 Hexadecanedioic acid 285.206 97.9 HMDB0000672 C19615 3-Hydroxyoctanoic acid 159.102 40.4 HMDB0001954 C20793 Hyodeoxycholic acid 391.2836 54.1 HMDB0000664 C15517 Deoxycholic acid 391.2836 54.1 HMDB0000626 C04483 2-Hydroxyoctanoic acid 159.102 40.4 HMDB0000711 2-Ketocaproic acid 129.0551 32.5 HMDB0001864 C00902 3-Methyl-2-oxovaleric acid 129.0551 32.5 HMDB0000491 C03465 Ketoleucine 129.0551 32.5 HMDB0000695 C00233 2-Methylbutyrylglycine 158.0818 112.4 HMDB0000339 10-Hydroxydecanoic acid 187.1331 33.2 HMDB0244272 C02774 1-Oleoyl-sn-glycerol 3-phosphate 435.25 153.5 HMDB0007855 4-Ethoxybenzoic acid 165.055 36.9 Isocitric acid 191.0189 225.5 HMDB0000193 C00311 Prostaglandin A2 333.2056 37.6 HMDB0002752 C05953 LPC(13:0) 452.276 118.4 2-methylcitrate 205.0346 256.2 HMDB0000379 C02225 2,4-Dihydroxybutanoic acid 119.0344 156.2 HMDB0000360 4-Oxohexanoic acid 129.0552 87.3 PG(16:0/18:1) 747.513 36.4 HMDB0010574 C13883 2,6-Dimethyl-4-hydroxybenzaldehyde 149.0601 34.9 3-Hydroxybenzoic acid 137.0238 82.8 HMDB0002466 C00587 (1-Hydroxycyclohexyl)acetic acid 157.0863 41.6 4-(Methylamino)butanoic acid 116.0712 221.3 C15987 Ethyl 3-hydroxybenzoate 165.055 36.9 Ethyl 4-hydroxybenzoate 165.055 36.9 HMDB0032573 D01647 5-Aminolevulinic acid 130.0504 222.8 HMDB0001149 C00430 Methylmalonic acid 117.0188 219.6 HMDB0000202 C02170 Glycolithocholic acid 3-sulfate 512.2668 84 HMDB0002639 C11301 Docosahexaenoic acid (DHA) 327.2314 41.7 HMDB0002183 C06429 Butyllactate 145.0863 35.1 HMDB0040254 4'-Hydroxyacetophenone 135.0445 44.5 C10700 3-Hydroxyacetophenone 135.0445 44.5 5-Hydroxyvalproic acid 159.102 40.4 HMDB0013898 C16650 2-Phenyllactic acid 165.055 36.9 HMDB0142137 Mesaconic acid 129.0188 244.6 HMDB0000749 C01732 Arabinono-1,4-lactone 147.0292 45.5 HMDB0001900 C01114 2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 714.505 41.6 HMDB0008928 4-Hydroxyphenylacetaldehyde 135.0445 44.5 HMDB0003767 C03765 Phenylpyruvic acid 163.0394 25.2 HMDB0000205 C00166 Phthalic acid 165.0187 86.6 HMDB0002107 C01606 Acamprosate (calcium) 180.0329 43.4 HMDB0014797 D07058 Oxypurinol 151.0252 111.8 HMDB0000786 C07599 N5-acetyl-l-ornithine 173.0925 164.9 HMDB0242109 MES 194.0484 34.4 HMDB0246678 Octadecanedioic acid 313.237 29.1 HMDB0000782 5-Hydroxyhexanoic acid 131.0708 76.7 HMDB0000525 Citraconic acid 129.0187 48.1 HMDB0000634 C02226 11-Dehydrocorticosterone 325.1828 43.3 HMDB0004029 C05490 4-Methylbenzoic-acid 135.0445 44.5 HMDB0029635 C01454 Gly-Ala 145.0612 220.4 HMDB0252875 Methyl β-D-Galactopyranoside 193.071 144 C03619 PI(18:1/18:1) 843.5482 63.5 HMDB0009837 Avasimibe 500.2911 43.4 HMDB0248736 D03012 4-Methyl-6-mercapto-2-(methylthio)pyrimidine 171.0057 221.8 10-Hydroxy-2,4b,8-trimethyl-2-(2-((3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)ethyl)dodecahydro-4a,10a-epoxyphenanthrene-8-carboxylic acid 513.2701 84 17-Acetoxygrindelic acid 377.2326 43.7 5-(4-Aminophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione 267.071 221.4 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-3-methyl-5-phenyl-, (5R)- 286.1011 213.4 6-Amino-2,4-dichloro-3-ethylphenol 203.9992 164.3 4-Quinolinamine, 6-[(1,1-dimethylethyl)sulfonyl]-N-(5-fluoro-1H-indazol-3-yl)- 397.1142 158.8 Dodecylbenzenesulfonic acid 325.1833 311.4 HMDB0059915 2-[(2R,3S,7R,8R,8aS)-2,3,4'-Trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-3-methylpentanoic acid 514.2819 109.1 (2-{[3-hydroxy-2-tetradecanamidooctadec-4-en-1-yl phosphonato]oxy}ethyl)trimethylazanium 733.5473 104.6 HMDB0012097 Thiolutin 226.9954 98.6 HMDB0034228 1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol) 483.2716 21.2 Garcinone D 427.1774 17.4 HMDB0033332 Butylated hydroxytoluene 219.1746 358 HMDB0033826 C14693 2-Hydroxy-2',3'-dichlorobiphenyl 236.987 229.4 N-[4-(Pyridin-2-yl)-1,3-thiazol-2-yl]cyclopentanecarboxamide 272.0854 214.6 2-Isobutyl-1,3-dioxo-2,3-dihydro-1H-Isoindole-5-carboxylic acid 246.0781 139.2 Citrinin 249.0777 123.7 2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine 738.5085 17.7 HMDB0008937 5,10-Dihydro-10-phenophosphazinol 10-oxide 230.0385 213.7 2-Amino-5,5,5-trifluoropentanoic acid 170.0428 199.2 Neogrifolin 327.2317 171.7 HMDB0030053 cis-4,10,13,16-Docosatetraenoic acid 331.263 171.7 (2R)-2,4-Dihydroxy-3,3-dimethylbutanoic acid 147.0657 163.6 HMDB0240389 C00522 5-Methyl-1H-pyrazole-3-carbaldehyde 109.0403 134.4 6,15-Diketo-13,14-dihydroprostaglandin F1.alpha. 369.2268 125.7 6-Bromo-2-methyl-4(1H)-quinolinone 235.9726 102.5 2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoethanolamine 790.539 81.3 HMDB0009012 Succinic_anhydride 99.0083 73.5 HMDB0032523 C19524 (12Z)-9,10,11-Trihydroxyoctadec-12-enoic acid 329.232 55.8 9-Hydroxynonanoic acid 173.1176 52 6-Oxocativic acid 319.2265 42.8 L-Isoserine 104.0349 220.6 3,4-Difluoro-L-phenylalanine 200.0532 201.3 3-Aminopentanoic acid 116.0712 172.9 4-Methyloxazole-5-carboxylic acid 126.0191 156.1 D-myo-Inositol, 1-[2-hydroxy-3-[(1-oxo-9,12-octadecadienyl)oxy]propyl hydrogen phosphate], [S-(Z,Z)]- 595.2869 143.5 5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid 144.0296 59.2 1,2-Distearoyl-sn-glycero-3-phospho-L-serine 790.561 58.9 HMDB0012378 N-Formylglycine 102.0192 58.4 HMDB0255145 3-Cyclohexyl-2-hydroxypropanoic acid 171.1019 38.4 (9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acid 311.2213 27.1 Methyl indole-4-carboxylate 174.0553 20.6 Canrenone 339.1981 14.6 HMDB0003033 Laurylsulfuric acid 265.1466 14 butabarbital 211.1078 74.2 HMDB0014382 C07827 Isobutyric_acid 87.0447 50.3 HMDB0001873 C02632 5-Hydroxyoxindole 148.0397 29.1 HMDB0246809 1-Hydroxy-2-naphthoic acid 187.041 116.4 HMDB0243892 C03203 2-(Hydroxymethyl)-6-methylpyridin-3-ol 138.0554 105.1 Eplerenone hydroxy acid 431.209 25 Methyl 6-hydroxy-1H-indole-3-carboxylate 190.0502 22.4 (S)-3,4-Dihydroxybutyric acid (lithium hydrate) 119.0345 179.6 HMDB0000337 Atropic acid 147.0445 148.8 Nolatrexed 283.0671 117.1 HMDB0255698 1-Palmitoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 782.4956 111.8 HMDB0012361 N-Acetyl-D-galactosamine 4-sulfate 300.0382 87.9 1,2-Dilinoleoyl-sn-glycero-3-phospho-(1'-rac-glycerol) 769.4988 18.6 Triptophenolide 311.1671 15.2 risedronate 281.9954 172.2 HMDB0015022 C08233 Leu-Glu 259.1288 205.9 6-Fluoro-2-(pyridin-2-yl)-1H-1,3-benzodiazole 212.0643 200.5 Anacardic acid 347.2575 23.1 HMDB0029683 C10759 2-(Hexopyranosyloxy)-3-hydroxypropyl (7Z,10Z,13Z)-hexadeca-7,10,13-trienoate 485.2737 21.1 8-Geranyl-7-hydroxycoumarin 297.1516 15.2 Methyl 1-hydroxy-2-naphthoate 201.0568 124.6 4,4'-Sulfonylbisphenol 249.0247 359.6 HMDB0240712 C14216 2H-1-Benzopyran-2-one, 7-mercapto-4-methyl- 191.0188 297.5 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-thioxo-6-(trifluoromethyl)- 217.0071 230 Dye X-27237-115 328.0387 131.8 Ikarugamycin 477.2794 117.1 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phosphoserine 810.5256 111.1 HMDB0012383 N-[4-(4-Nitrophenyl)phenyl]acetamide 255.079 39.5 Daidzein 4'-sulfate 333.0059 14.6 HMDB0240698 2-Amino-3-(1H-pyrazol-1-yl)propanoic acid 154.0616 312.3 HMDB0034267 2-Bromo-4,6-dichlorophenol 238.8693 234.6 3-Hydroxyphenylaceitic acid sulfate 230.996 134.5 HMDB0125163 9,10-Dihydrojasmonic acid 211.1331 46.4 Ethyl 6-chloro-4-hydroxyquinoline-3-carboxylate 250.0298 226.6 2-Amino-6-phosphonohexanoic acid 210.0528 222.6 5-Methyl-2'-deoxycytidine 240.098 121.7 5-Bromo-4-fluoro-2-hydroxybenzoic acid 232.9239 316.8 3a,6-Dihydroxy-9-(3-hydroxy-3-methylbutyl)-4-methoxy-3a,12a-dihydro-5H-furo[3',2':4,5]furo[3,2-b]xanthen-5-one 425.1288 224.5 4-Cyanobenzene-1-sulfonamide 181.0087 200.5 [4-(4-Hydroxy-2-quinazolinyl)phenyl]methanesulfonamide 314.0636 138.8 1-(10Z-Heptadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol) 495.2714 40.3 Ciprostene 363.2505 21.8 Rhein 283.0276 162.6 HMDB0032876 C10401 Diethylthiophosphate 169.0111 47.6 HMDB0001460 C06607 4-Hydroxy-2',4',6'-trimethoxychalcone 313.1117 213.3 6-Amino-2-imino-5-nitroso-2,3-dihydro-4(1H)-pyrimidinone 154.0364 157.7 Methyl 9H-purine-6-carboxylate 177.0398 156.4 2-Naphthalenethiol 159.0292 111.1 HMDB0029689 Leonubiastrin 415.1778 48.9 3-Sulfinoalanine 152.0016 79.2 Nitrilotriacetic acid 190.0352 183.6 HMDB0255635 C14695 3-Nitro-2,4-quinolinediol 205.0279 45.5 3-Hydroxy-2-[(Z)-oct-2-enyl]pentanedioic acid 257.1382 15.2 Xanthotoxol 201.0217 13.8 HMDB0029457 C00841 Farrerol 299.0962 214.7 3-Phosphonopropanoic acid 152.9952 150.9 (5.xi.,9.xi.,10.alpha.,15.beta.)-15-(((2Z)-2-Methylbut-2-enoyl)oxy)kaur-16-en-18-oic acid 399.2592 109.1 Methyl 3-hydroxy-4-nitrobenzoate 196.0277 78.6 (E)-5-[(1S,4aR,8aR)-2-Formyl-5,5,8a-trimethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]-3-(acetyloxymethyl)pent-2-enoic acid 375.2187 21.8 Cortisone_acetate 401.2025 150.7 HMDB0015459 C08173 Thieno[3,2-b][1]benzothiophene-2-carboxylic acid 232.975 85.3 3,4-Dihydroxy-5-((6-O-((4-(2-hydroxypropan-2-yl)cyclohex-1-en-1-yl)carbonyl)-.beta.-D-glucopyranosyl)oxy)benzoic acid 497.1655 359.6 Ethyl 6-bromo-5-hydroxy-2-methyl-1-benzofuran-3-carboxylate 296.9811 275 Ibotenic acid 157.0248 150.7 HMDB0253330 C10600 (1S,3R)-1-Aminocyclopentane-1,3-dicarboxylic acid 172.0608 149.8 GKK 1032B 500.2762 108.4 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol) 885.5456 107.8 HMDB0009815 (2E)-4-Hydroxybut-2-enoic acid 101.024 218.7 HMDB0003381 Etidronic acid 204.9698 205.9 HMDB0015210 C07736 8-Methyl-2-(trifluoromethyl)quinolin-4-ol 226.0477 231.8 PS(18:1/18:1) 768.5289 81.9 HMDB0012390 17.beta.-Estradiol 3-.beta.-D-glucuronide 447.2039 42.3 HMDB0006224 C05503 2-amino-3-({[3-(hexadecanoyloxy)-2-(octadecanoyloxy)propoxy](hydroxy)phosphoryl}oxy)propanoic acid 762.5044 38.2 HMDB0012356 2-(4-Morpholinylcarbonyl)-1-naphthol 256.0943 222.2 2-(2,6-Dihydroxy-4-methoxycarbonylbenzoyl)-3-hydroxybenzoic acid 331.0494 216.2 (2-aminoethoxy)[2-[hexadec-9-enoyloxy]-3-[octadeca-1.11-dien-1-yloxy]propoxy]phosphinic acid 698.51 38.6 HMDB0011405 Isopentenyladenine 202.1076 80.2 HMDB0245646 C04083 2-(3,4,5-Trimethoxyphenyl)-1H-benzimidazole 283.1122 200.5 N,1-Diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide 303.0798 152.9 Glucoiberin 422.0301 236.5 HMDB0038406 C08411 N-.alpha.-(tert-Butoxycarbonyl)-L-proline 214.1076 104.6 1-[4-(Acetylamino)phenyl]-5-oxo-3-pyrrolidinecarboxylic acid 261.0902 111.8 Sophoraside A 473.1435 94 (E)-3-(4-Acetyloxy-2,3-dihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)prop-2-enoic acid 353.1986 14.5 13-(Dodecan-2-yl)-6-(1-hydroxyethyl)-3-(hydroxymethyl)-12-methyl-9-(propan-2-yl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone 540.3646 118.4 (S)-3,5-Dihydroxyphenylglycine 182.0451 20.4 4-(1H-Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine 200.0605 124.6 1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 797.5283 18.5 N-(5-Chloropyridin-2-yl)-5-propylthiophene-3-carboxamide 279.0376 100.6 Hydroheptelidic acid 297.1331 27.8 3-[(1E,3E)-Hepta-1,3-dienyl]pentanedioic acid 225.1122 43 2-Deoxyribose 5-phosphate 213.0161 200.6 (6-Methyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)acetic acid 220.0605 21.2 2-[(2-Fluorophenyl)amino]acetohydrazide 182.0753 95.8 2-Chloro-N-(2-hydroxyphenyl)nicotinamide 247.027 15.9 (1S,4R)-4-[[(2S,3aS,4S)-4-Hydroxy-2-methyl-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]methyl]-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione 444.1712 152.1 19-O-Acetylchaetoglobosin D 569.2696 139.4 5-(2-Chlorophenyl)-1,3,4-oxadiazole-2(3H)-thione 210.9715 302 4-Methoxy-2,4-dioxobutanoic acid 145.0136 49.7 2-(Butan-2-yl)-5a-hydroxy-4-(4-oxoquinazolin-3(4H)-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione 443.1727 26.4 2-amino-3-({hydroxy[2-(icosanoyloxy)-3-[octadec-11-enoyloxy]propoxy]phosphoryl}oxy)propanoic acid 816.5737 60.9 HMDB0112392 Xanthotoxin 215.0358 229.3 HMDB0014693 C01864 1,1'-Binaphthyl-8,8'-dicarboxylic acid 341.0823 140.3 6-Methyl-2,4-pyrimidinedithiol 156.9902 87.2 3-Carboxy-6,8-difluoro-7-hydroxycoumarin succinimidyl ester 338.0107 168.3 [2-[docosa-4.7.10.13.16.19-hexaenoyloxy]-3-(octadecanoyloxy)propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid 909.5455 107.2 HMDB0009821 3-Oxocyclobutanecarboxylic acid 113.0239 58.8 2-[Bis(5-methyl-2-furyl)methyl]-6-bromo-4-nitrophenol 389.9992 209.2 [(4-Methylbenzyl)sulfanyl]acetic acid 195.0502 200.8 N-[3-(5-Sulfanyl-1H-tetraazol-1-yl)phenyl]acetamide 234.0461 200.6 Butaprost (free acid) 393.2632 132.9 (2S,3R)-2,3,4-Trihydroxybutyl 2,6-di-O-acetyl-3-O-dodecanoyl-.beta.-D-mannopyranoside 549.2902 119.7 Methyl 3-(acetyloxy)-16,19-dihydroxy-4,4,8,12,16-pentamethyl-15,17-dioxoandrost-11-ene-14-carboxylate 503.2663 94.6 5-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione 281.0345 67 4-(4-Mercaptophenoxy)phenyl hydrosulfide 233.0114 15.9 Nitrofurazone 197.0307 51 HMDB0014480 C08042 3.beta.-Hydroxymevastatin 423.2346 176 Dopamine 4-.beta.-D-glucuronide 328.106 163.5 (2-aminoethoxy)[2-[icosa-5.8.11.14-tetraenoyloxy]-3-[octadec-11-enoyloxy]propoxy]phosphinic acid 764.5175 19.2 HMDB0009036 6-[(E)-2,8-Dihydroxy-5,7-dimethylnon-5-enyl]-4-hydroxy-3-methylpyran-2-one 309.1726 14.6 3-(.beta.-D-Glucopyranosyloxy)-15-hydroxy-2,15-dimethylhexadecanoic acid 477.3023 13.8 5-Demethylnobiletin 387.1062 168.2 HMDB0037571 3-Trifluoromethyl-4-nitrophenol 206.0096 172.8 HMDB0246527 Entacapone 3-.beta.-D-glucuronide 480.121 221.4 Propylpyrazoletriol 385.16 155.4 HMDB0256720 N-Benzoyl-N'-(2-pyridinyl)thiourea 256.0583 139.4 4-Phenyl-2-sulfanyl-3,4-dihydro-5H-indeno[1,2-d]pyrimidin-5-one 291.0557 116.4 7-(4-Fluorophenyl)-5-hydroxy-1,3-benzoxathiol-2-one 261.0065 77.3 LysoPE(P-16:0/0:0) 436.2809 109.8 Ureidoacrylate 129.03 152.7 1-(linoleoyl)-sn-glycero-3-phosphoethanolamine 476.2761 117.1 1-linoleoyl-sn-glycero-3-phospho-(1'-sn-glycerol) 507.2707 54.4 4-Hydroxy-2-oxoglutarate 161.0086 256.6 HMDB0002070 C01127 Acetylenedicarboxylate 112.9875 202 gamma-Glutamyl-beta-(isoxazolin-5-on-2-yl)alanine 300.0842 231.3 Xylitol 151.0606 123.7 1-20:3-2-18:3-phosphatidylserine 806.4945 111.1 Sulfoacetaldehyde 122.9752 150.4 1-22:1-2-18:3-phosphatidylserine 838.5566 110.5 1-22:0-2-18:1-phosphatidylserine 844.6152 97.2 beta-galactosyl-cholate 569.3309 54.3 Glucose chloride 213.0163 99.3 IS2 183.0815 95.9 IS1 133.1056 151.5 IS3 121.0439 218.7 METABOLITES_END #END