<HashMap><database>MetaboLights</database><file_versions><headers><Content-Type>application/xml</Content-Type></headers><body><files><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/m_MTBLS15900_LC-MS_positive_reverse-phase_v2_maf.tsv</Tabular><Tabular>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/m_MTBLS15900_LC-MS_negative_reverse-phase_v2_maf.tsv</Tabular><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/s_MTBLS15900.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/a_MTBLS15900_LC-MS_positive_reverse-phase.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/a_MTBLS15900_LC-MS_negative_reverse-phase.txt</Txt><Txt>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/i_Investigation.txt</Txt><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100596.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/Blank2.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_pos_70-300.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC3.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100603.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/Blank1.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100600.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100604.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100597.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC4.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_neg_70-300.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100605.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_pos_590-1050.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC1.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/RTQC_20260529085640.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100601.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/Blank4.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100598.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_neg_290-600.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/Blank3.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100606.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100595.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_neg_590-1050.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_neg_70-1050.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC2.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100599.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/WK-2026060100602.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_pos_70-1050.raw</Raw><Raw>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900/FILES/RAW_FILES/QC_pos_290-600.raw</Raw></files><type>primary</type></body><statusCodeValue>200</statusCodeValue><statusCode>OK</statusCode></file_versions><scores/><additional><ftp_download_link>ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15900</ftp_download_link><metabolite_identification_protocol>&lt;p>Peak extraction was performed using XCMS software, adduct ion annotation using CAMERA, and primary identification using metaX software. Metabolites were annotated by combining retention time (RT) and m/z data, matching against the online KEGG and HMDB databases as well as an in-house standard MS/MS spectral library. A metabolite was annotated if the mass difference between the observed and database values was less than 10 ppm. The MS/MS identification parameters were as follows: MS1 mass tolerance 0.01 Da, MS2 mass tolerance 0.05 Da, and identification score cutoff 75%. Databases used included in-house, Massbank, HMDB, and Lipidblast.&lt;/p></metabolite_identification_protocol><repository>MetaboLights</repository><study_status>Public</study_status><ptm_modification></ptm_modification><instrument_platform>Liquid Chromatography MS - negative - reverse-phase</instrument_platform><instrument_platform>Liquid Chromatography MS - positive - reverse-phase</instrument_platform><chromatography_protocol>&lt;p>Separation was performed on a Waters ACQUITY UPLC system equipped with an ACQUITY UPLC T3 column (100 mm × 2.1 mm, 1.8 μm, Waters, UK). The column oven was maintained at 40°C, and the flow rate was 0.3 mL/min. Mobile phase A consisted of water with 5 mmol/L ammonium acetate and 5 mmol/L acetic acid, and mobile phase B was acetonitrile. The gradient elution program was as follows: 0–0.8 min, 2% B; 0.8–2.8 min, 2%–70% B; 2.8–5.6 min, 70%–90% B; 5.6–6.4 min, 90%–100% B; 6.4–8.0 min, 100% B; 8.0–8.1 min, 100%–2% B; 8.1–10 min, 2% B. The injection volume was 4 μL.&lt;/p></chromatography_protocol><publication>Medicarpin suppresses gastric cancer growth through modulation of mevalonate pathway-associated cholesterol biosynthesis.</publication><submitter_affiliation>Jiangxi University of Chinese Medicine</submitter_affiliation><submitter_name>kaimeng huang</submitter_name><organism_part>Gastric cancer cell line AGS/HGC-27</organism_part><technology_type>mass spectrometry assay</technology_type><disease></disease><extraction_protocol>&lt;p>To the cell pellet, 1000 μL of pre-chilled methanol/acetonitrile/water (MeOH/ACN/H2O, 2:2:1, v/v/v) was added. The mixture was vortexed for 30 s and sonicated at 4°C for 10 min. This was followed by flash-freezing in liquid nitrogen for 1 min and sonication at 4°C for 10 min, repeated three times. The samples were then incubated at -20°C for 1 h to precipitate proteins. After centrifugation at 13,000 rpm and 4°C for 15 min, 720 μL of supernatant was collected and vacuum-dried at 4°C. The dried extract was reconstituted in 100 μL of acetonitrile/water (ACN:H2O, 1:1, v/v), vortexed for 30 s, and sonicated at 4°C for 10 min. Following centrifugation at 13,000 rpm and 4°C for 15 min, the supernatant was transferred for UPLC-HRMS analysis. Quality control (QC) samples were prepared by pooling equal aliquots from each sample, and blank controls were also prepared for quality assurance.&lt;/p></extraction_protocol><organism>Homo sapiens</organism><full_dataset_link>https://www.ebi.ac.uk/metabolights/MTBLS15900</full_dataset_link><author>kaimeng huang. Jiangxi University of Chinese Medicine. kaimeng_huang@163.com.</author><author>Fangfang Tou. Jiangxi Provincial People's Hospital. tou_fangfang@163.com.</author><data_transformation_protocol>&lt;p>Raw LC-MS data files were converted to mzXML format using MSConvert software from Proteowizard.&lt;/p></data_transformation_protocol><study_factor>Group</study_factor><submitter_email>kaimeng_huang@163.com</submitter_email><sample_collection_protocol>&lt;p>Logarithmic-phase human gastric cancer cell lines AGS and HGC-27, as well as normal gastric mucosal epithelial cells GES-1, were collected. Cells were cultured in RPMI-1640 or DMEM medium supplemented with 10% fetal bovine serum and 1% penicillin-streptomycin at 37°C in a 5% CO2 incubator. After treatment with Medicarpin (Med) (Treated group) or an equal volume of vehicle solvent (Control group), the medium was discarded, cells were washed with PBS, and cell pellets were collected and stored at -80°C until analysis. A total of 12 samples were analyzed (6 in the Control group and 6 in the Treated group).&lt;/p></sample_collection_protocol><omics_type>Metabolomics</omics_type><study_design>Metabolomics</study_design><study_design>untargeted analysis</study_design><study_design>Mevalonate pathway</study_design><study_design>Medicarpin</study_design><study_design>Homo sapiens</study_design><study_design>Cultured cells</study_design><study_design>Waters ACQUITY UPLC system</study_design><study_design>Gastric cancer cell line AGS/HGC-27</study_design><study_design>Cholesterol synthesis</study_design><study_design>Metabolic reprogramming</study_design><study_design>Gastric cancer</study_design><study_design>Q Exactive</study_design><curator_keywords>Metabolomics</curator_keywords><curator_keywords>untargeted analysis</curator_keywords><curator_keywords>Mevalonate pathway</curator_keywords><curator_keywords>Medicarpin</curator_keywords><curator_keywords>Homo sapiens</curator_keywords><curator_keywords>Cultured cells</curator_keywords><curator_keywords>Waters ACQUITY UPLC system</curator_keywords><curator_keywords>Gastric cancer cell line AGS/HGC-27</curator_keywords><curator_keywords>Cholesterol synthesis</curator_keywords><curator_keywords>Metabolic reprogramming</curator_keywords><curator_keywords>Gastric cancer</curator_keywords><curator_keywords>Q Exactive</curator_keywords><mass_spectrometry_protocol>&lt;p>A Q-Exactive high-resolution mass spectrometer (Thermo Fisher Scientific, Bremen, Germany) equipped with an electrospray ionization (ESI) source was used, with data acquired in both positive and negative ion modes. For full-scan MS, the scan range was 70–1050 m/z at a resolution of 70,000 (@ m/z 200), with an AGC target of 3e6 and a maximum injection time of 100 ms. For MS/MS, data-dependent acquisition (DDA) was employed at a resolution of 17,500 (@ m/z 200) with a maximum injection time of 50 ms. A QC sample was injected after every 10 samples to calibrate the systematic error of the entire batch based on mass differences among QC samples.&lt;/p></mass_spectrometry_protocol><metabolite_name>2-Galloylglucose</metabolite_name><metabolite_name>LysoPC(20:3(8Z,11Z,14Z)/0:0)</metabolite_name><metabolite_name>Panaxacol</metabolite_name><metabolite_name>docosa-4,7,10,13,16-pentaenoate</metabolite_name><metabolite_name>Prostaglandin G2</metabolite_name><metabolite_name>2,5-Di-tert-butylhydroquinone</metabolite_name><metabolite_name>Riboflavin</metabolite_name><metabolite_name>Linalyl hexanoate</metabolite_name><metabolite_name>Pyrocatechol</metabolite_name><metabolite_name>Eicosapentaenoic ethyl ester</metabolite_name><metabolite_name>Dhv-PGE2</metabolite_name><metabolite_name>Methyl linolenate</metabolite_name><metabolite_name>13,14-dihydro-prostaglandin F2alpha</metabolite_name><metabolite_name>Linalyl isobutyrate</metabolite_name><metabolite_name>Folic acid</metabolite_name><metabolite_name>Deoxyinosine</metabolite_name><metabolite_name>4-Cresol sulfate</metabolite_name><metabolite_name>8-hydroxyhexadecanoyl-CoA</metabolite_name><metabolite_name>1-(11Z-eicosenoyl)-glycero-3-phosphate</metabolite_name><metabolite_name>Nonane-4,6-dione</metabolite_name><metabolite_name>1-Heneicosanoyl-glycero-3-phosphoserine</metabolite_name><metabolite_name>Ginkgoic acid</metabolite_name><metabolite_name>2-Ketocaproic acid</metabolite_name><metabolite_name>Precursor Z</metabolite_name><metabolite_name>Ketoleucine</metabolite_name><metabolite_name>3-Methylbutyl 3-oxobutanoate</metabolite_name><metabolite_name>ent-17-Acetoxy-16b-kauran-19-al</metabolite_name><metabolite_name>N-arachidonoyl-methionine</metabolite_name><metabolite_name>LysoPC(0:0/18:2(9Z,12Z))</metabolite_name><metabolite_name>Caplamin</metabolite_name><metabolite_name>6-hydroxy-FAD</metabolite_name><metabolite_name>Auxin b</metabolite_name><metabolite_name>Icosanoic acid</metabolite_name><metabolite_name>2S-Hydroxytetradecanoic acid</metabolite_name><metabolite_name>2',6'-Dihydroxy-4'-methoxydihydrochalcone</metabolite_name><metabolite_name>1-18:0-2-18:1-phosphatidylserine</metabolite_name><metabolite_name>Dimethylcarbamic acid</metabolite_name><metabolite_name>Tyrosyl-Glutamate</metabolite_name><metabolite_name>Isophthalate</metabolite_name><metabolite_name>ricinoleoyl-CoA</metabolite_name><metabolite_name>Capric acid</metabolite_name><metabolite_name>Phenol</metabolite_name><metabolite_name>Octadecanedioic acid</metabolite_name><metabolite_name>Nicotinamide adenine dinucleotide phosphate (NADP)</metabolite_name><metabolite_name>N-Acetylaspartic acid</metabolite_name><metabolite_name>Malyl-CoA</metabolite_name><metabolite_name>Methyl-alpha-aminoisobutyric acid</metabolite_name><metabolite_name>N-Arachidonoyl Cysteine</metabolite_name><metabolite_name>S-Succinylglutathione</metabolite_name><metabolite_name>1-palmitoleoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Nordihydrocapsiate</metabolite_name><metabolite_name>Cetirizine (Drug)</metabolite_name><metabolite_name>4-Hydroxybenzaldehyde</metabolite_name><metabolite_name>2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, phenyl ester</metabolite_name><metabolite_name>N-arachidonoyl-valine</metabolite_name><metabolite_name>Deoxythymidine 5'-diphosphate (dTDP)</metabolite_name><metabolite_name>Glyceryl 5-hydroxydecanoate</metabolite_name><metabolite_name>Adenosine 5'-triphosphate (ATP)</metabolite_name><metabolite_name>Glycine</metabolite_name><metabolite_name>butyl benzoate</metabolite_name><metabolite_name>5'-S-Methyl-5'-thioinosine</metabolite_name><metabolite_name>Reduced nicotinamide adenine dinucleotide (NADH)</metabolite_name><metabolite_name>Cetoleic acid</metabolite_name><metabolite_name>Guanosine 5'-triphosphate (GTP)</metabolite_name><metabolite_name>Cystathionine</metabolite_name><metabolite_name>Glutaric acid</metabolite_name><metabolite_name>PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))</metabolite_name><metabolite_name>Glutathione</metabolite_name><metabolite_name>Glycerol 1-dodecanoate 2-tetradecanoate 3-octanoate</metabolite_name><metabolite_name>Adenylsuccinic acid</metabolite_name><metabolite_name>N-Lauroyl Methionine</metabolite_name><metabolite_name>Glutamylisoleucine</metabolite_name><metabolite_name>2-Tetracosenoic acid</metabolite_name><metabolite_name>Prostaglandin D2 (PGD2)</metabolite_name><metabolite_name>[7]-Paradol</metabolite_name><metabolite_name>Deoxyguanosine triphosphate (dGTP)</metabolite_name><metabolite_name>2-Methylglutaric acid</metabolite_name><metabolite_name>gamma-Glutamylphenylalanine</metabolite_name><metabolite_name>Ethyl (E,Z)-decadienoate</metabolite_name><metabolite_name>Gentisaldehyde</metabolite_name><metabolite_name>1-acyl-sn-glycero-3-phosphoglycerol (n-C18:0)</metabolite_name><metabolite_name>4-Acetamidobenzoic acid</metabolite_name><metabolite_name>16-Oxopalmitate</metabolite_name><metabolite_name>2-Hydroxypalmitic acid</metabolite_name><metabolite_name>3-hydroxynonanoyl carnitine</metabolite_name><metabolite_name>1-16:0-2-18:2-phosphatidylinositol</metabolite_name><metabolite_name>N-Acetylneuraminic acid</metabolite_name><metabolite_name>Pantothenic acid</metabolite_name><metabolite_name>10-Undecenoic acid</metabolite_name><metabolite_name>PE(16:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>Allolithocholic acid</metabolite_name><metabolite_name>1,2-Bis(4-hydroxy-3-methoxyphenyl)ethylene</metabolite_name><metabolite_name>N-Eicosapentaenoyl Glycine</metabolite_name><metabolite_name>Guanosine</metabolite_name><metabolite_name>Isovaleric acid</metabolite_name><metabolite_name>Ribothymidine</metabolite_name><metabolite_name>3-Hydroxydecanoic acid</metabolite_name><metabolite_name>m-Methylbenzoate</metabolite_name><metabolite_name>3-hydroxynonanoate</metabolite_name><metabolite_name>2,6-Dimethoxy-4-(1-propenyl)phenol</metabolite_name><metabolite_name>Erucic acid</metabolite_name><metabolite_name>guanosine 2'-monophosphate</metabolite_name><metabolite_name>Tyrosyl-Aspartate</metabolite_name><metabolite_name>Alprostadil</metabolite_name><metabolite_name>20a,20b-Dihomo-9-oxo-11R,15S-dihydroxy-5Z,13E-prostadienoic acid</metabolite_name><metabolite_name>Apo-8'-carotenoic Acid</metabolite_name><metabolite_name>Dihydroxyoctadecenoic acid</metabolite_name><metabolite_name>3-Oxocholic acid</metabolite_name><metabolite_name>2-Methoxy-5Z-hexadecenoic acid</metabolite_name><metabolite_name>2-Hydroxydecanoic acid</metabolite_name><metabolite_name>Succinyladenosine</metabolite_name><metabolite_name>Phenyllactate</metabolite_name><metabolite_name>Phe-Gly</metabolite_name><metabolite_name>N-Eicosapentaenoyl Asparagine</metabolite_name><metabolite_name>2-Amino-5-[[1-[carboxymethyl(2-hydroxypropanoyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid</metabolite_name><metabolite_name>Mono(2-ethylhexyl) phthalate</metabolite_name><metabolite_name>Hexadecanedioic acid</metabolite_name><metabolite_name>trans-2-Octenoic acid</metabolite_name><metabolite_name>2-Aminoisobutyric acid</metabolite_name><metabolite_name>PI(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>2,4-Di-tert-butylphenol</metabolite_name><metabolite_name>N-Stearoyl Threonine</metabolite_name><metabolite_name>Deoxycholyl-dopa</metabolite_name><metabolite_name>Mono(1-ethylhexyl) phthalate</metabolite_name><metabolite_name>N-Docosahexaenoyl GABA</metabolite_name><metabolite_name>LysoPS(16:0/0:0)</metabolite_name><metabolite_name>Docosapentaenoic acid (DPA)</metabolite_name><metabolite_name>1-(9Z-hexadecenoyl)-glycero-3-phosphate</metabolite_name><metabolite_name>1-18:0-2-18:1-phosphatidylcholine</metabolite_name><metabolite_name>Uridine</metabolite_name><metabolite_name>1-(9Z-Nonadecenoyl)-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>1-18:2-2-18:2-phosphatidylethanolamine</metabolite_name><metabolite_name>LysoPC(20:3(5Z,8Z,11Z)/0:0)</metabolite_name><metabolite_name>Chenodeoxycholic acid</metabolite_name><metabolite_name>Glutamic acid diethyl ester</metabolite_name><metabolite_name>1-Octadecanoyl-sn-glycero-3-phosphoethanolamine</metabolite_name><metabolite_name>3-Hydroxybenzoic acid</metabolite_name><metabolite_name>4-Hydroxyphenylacetaldehyde</metabolite_name><metabolite_name>Cysteine</metabolite_name><metabolite_name>Reduced nicotinamide adenine dinucleotide phosphate (NADPH)</metabolite_name><metabolite_name>Cervonoyl ethanolamide</metabolite_name><metabolite_name>gamma-Glu-Ile</metabolite_name><metabolite_name>Hydroxyprogesterone caproate</metabolite_name><metabolite_name>12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid</metabolite_name><metabolite_name>7-hydroxyhexadecanoyl-CoA</metabolite_name><metabolite_name>Serine</metabolite_name><metabolite_name>Sterculic acid</metabolite_name><metabolite_name>3-Hydroxymyristic acid</metabolite_name><metabolite_name>1-18:0-2-18:2-phosphatidylethanolamine</metabolite_name><metabolite_name>Proline</metabolite_name><metabolite_name>4-(Methylamino)butanoic acid</metabolite_name><metabolite_name>Dihydroxyoctadecanoic acid</metabolite_name><metabolite_name>Prostaglandin A2</metabolite_name><metabolite_name>4-Glucosyl gallate</metabolite_name><metabolite_name>16-B1-phytoprostane</metabolite_name><metabolite_name>Nelarabine</metabolite_name><metabolite_name>Phenylsulfate</metabolite_name><metabolite_name>Isocitric acid</metabolite_name><metabolite_name>12-Oxo-10,11-dihydrophyto-15-enoate</metabolite_name><metabolite_name>Butyl levulinate</metabolite_name><metabolite_name>1-oleoyl-2-palmitoyl-phosphatidylglycerol</metabolite_name><metabolite_name>N-Lauroylglycine</metabolite_name><metabolite_name>S-Pyruvylglutathione</metabolite_name><metabolite_name>Fructose 2-phosphate</metabolite_name><metabolite_name>Adenosine</metabolite_name><metabolite_name>Lauroyl-CoA</metabolite_name><metabolite_name>Pinostrobin chalcone</metabolite_name><metabolite_name>Allopurinol</metabolite_name><metabolite_name>Prostaglandin F2alpha (PGF2a)</metabolite_name><metabolite_name>Monooctyl phthalate</metabolite_name><metabolite_name>Methyl [6]-paradol</metabolite_name><metabolite_name>ent-16b,19-Kauranediol 19-acetate</metabolite_name><metabolite_name>Tetracosahexaenoic acid, n-3</metabolite_name><metabolite_name>LysoPC(0:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>2-Hydroxycinnamic acid</metabolite_name><metabolite_name>12,13-DiHOME</metabolite_name><metabolite_name>6,8-Tetracosanedione</metabolite_name><metabolite_name>PIP2(16:0/16:1(9Z))</metabolite_name><metabolite_name>Myristoyl-CoA</metabolite_name><metabolite_name>18-Nitrooctadec-9-enoic acid</metabolite_name><metabolite_name>Fumaric acid</metabolite_name><metabolite_name>Tryptophyl-Proline</metabolite_name><metabolite_name>N-Lactoylvaline</metabolite_name><metabolite_name>2,3-Dinor-8-iso prostaglandin F2alpha</metabolite_name><metabolite_name>Methyleugenol</metabolite_name><metabolite_name>Adenosine 3',5'-diphosphate (PAP)</metabolite_name><metabolite_name>Glucose-6-phosphate lactate</metabolite_name><metabolite_name>3-Decenoic acid</metabolite_name><metabolite_name>4,4'-Diaponeurosporen-4-al</metabolite_name><metabolite_name>Benzoic acid</metabolite_name><metabolite_name>6-Oxotetradecanoic acid</metabolite_name><metabolite_name>7-[3-Hydroxy-2-[3-hydroxy-4,4-dimethyloct-1-enyl]-5-oxocyclopentyl]hept-2-enoic acid</metabolite_name><metabolite_name>Phe-Pro</metabolite_name><metabolite_name>Trp-Glu</metabolite_name><metabolite_name>Docosahexaenoic acid ethyl ester</metabolite_name><metabolite_name>11-Hydroxy-9-tridecenoic acid</metabolite_name><metabolite_name>3,4-Dimethyl-5-pentyl-2-furanundecanoic acid</metabolite_name><metabolite_name>Tetradecanedioic acid</metabolite_name><metabolite_name>Traumatic acid</metabolite_name><metabolite_name>Docosahexaenoic acid</metabolite_name><metabolite_name>LPE(16:0)</metabolite_name><metabolite_name>gamma-Glutamyltyrosine</metabolite_name><metabolite_name>Tetracosahexaenic acid</metabolite_name><metabolite_name>Glyzarin</metabolite_name><metabolite_name>3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid</metabolite_name><metabolite_name>3'-O-Methylguanosine</metabolite_name><metabolite_name>Prostalene</metabolite_name><metabolite_name>PC(P-16:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>17beta-Hydroxy-17-methylandrost-4-ene-3,11-dione</metabolite_name><metabolite_name>Epoxydocosapentaenoic acid</metabolite_name><metabolite_name>ADPribose 2'-phosphate</metabolite_name><metabolite_name>gamma-Glutamylleucine</metabolite_name><metabolite_name>Folinic acid</metabolite_name><metabolite_name>LysoPE(20:4(5Z,8Z,11Z,14Z)/0:0)</metabolite_name><metabolite_name>ADP-ribose 2'-phosphate</metabolite_name><metabolite_name>Nonadeca-2,4-dienoic acid</metabolite_name><metabolite_name>Hexacosahexaenoic acid</metabolite_name><metabolite_name>9,12,13-TriHOME</metabolite_name><metabolite_name>Terephthalic acid</metabolite_name><metabolite_name>3-hydroxyundecanoyl carnitine</metabolite_name><metabolite_name>Isodeoxycholic acid</metabolite_name><metabolite_name>7,9-Tetracosanedione</metabolite_name><metabolite_name>N-Undecanoylglycine</metabolite_name><metabolite_name>10,12-Tetracosanedione</metabolite_name><metabolite_name>FAHFA(18:1(9Z)/9-O-18:0)</metabolite_name><metabolite_name>10-Deoxygeniposidic acid</metabolite_name><metabolite_name>Valeric acid</metabolite_name><metabolite_name>1-acyl-sn-glycero-3-phosphoglycerol (n-C16:0)</metabolite_name><metabolite_name>Lysine</metabolite_name><metabolite_name>trans-Cinnamic acid</metabolite_name><metabolite_name>Butyllactate</metabolite_name><metabolite_name>phosphatidylglycerol (1-palmitoyl, 2-cis-vaccenoyl)</metabolite_name><metabolite_name>Sweroside</metabolite_name><metabolite_name>6-Methylgingediol</metabolite_name><metabolite_name>Geranylgeranylcysteine</metabolite_name><metabolite_name>Octadecatetraenoyl-CoA</metabolite_name><metabolite_name>PI(16:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>Ethyl 3-phenylpropanoate</metabolite_name><metabolite_name>3-Methylbutyl 2-furanbutanoate</metabolite_name><metabolite_name>Suberic acid</metabolite_name><metabolite_name>PIP2(16:1(9Z)/16:0)</metabolite_name><metabolite_name>Nicotinamide adenine dinucleotide (NAD)</metabolite_name><metabolite_name>Dihydrocapsiate</metabolite_name><metabolite_name>Pinocembrin chalcone</metabolite_name><metabolite_name>N-oleoyl-glutamate</metabolite_name><metabolite_name>8-Hydroxyoctanoic acid</metabolite_name><metabolite_name>Nitro-oleic acid</metabolite_name><metabolite_name>PC(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>tetracosatetraenoate</metabolite_name><metabolite_name>LPS(18:1)</metabolite_name><metabolite_name>1-Hydroxy-1-phenyl-3-octadecanone</metabolite_name><metabolite_name>5'-Methylthioadenosine</metabolite_name><metabolite_name>4-Nitrophenol</metabolite_name><metabolite_name>Hydroxyacetone</metabolite_name><metabolite_name>PE(18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>1-Hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-sn-glycerol</metabolite_name><metabolite_name>Palmitoylglycerone phosphate</metabolite_name><metabolite_name>3-Nitrophenol</metabolite_name><metabolite_name>N-Acetylphenylalanine</metabolite_name><metabolite_name>1,3-Butyleneglycol dimethacrylate</metabolite_name><metabolite_name>Chenodeoxycholyl-dopa</metabolite_name><metabolite_name>Cytidine 5'-monophosphate (CMP)</metabolite_name><metabolite_name>Octadecatrienoic acid</metabolite_name><metabolite_name>Coenzyme A (CoA)</metabolite_name><metabolite_name>1,2-didecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>cis-4-Octenedioic acid</metabolite_name><metabolite_name>2-Hydroxyoctanoic acid</metabolite_name><metabolite_name>Prostaglandin E2 (PGE2)</metabolite_name><metabolite_name>Xanthosine</metabolite_name><metabolite_name>Aspartate</metabolite_name><metabolite_name>Guanosine 5'-diphosphate (GDP)</metabolite_name><metabolite_name>2,4-Dihydroxy-6-(8-pentadecenyl)benzoic acid</metabolite_name><metabolite_name>3-Methyl-2-oxovaleric acid</metabolite_name><metabolite_name>Desaminotyrosine</metabolite_name><metabolite_name>N-palmitoyl-phenylalanine</metabolite_name><metabolite_name>Adenosine 2',3'-cyclic phosphate</metabolite_name><metabolite_name>Pentadec-2-enoylcarnitine</metabolite_name><metabolite_name>Mannose 1-phosphate</metabolite_name><metabolite_name>Citric acid</metabolite_name><metabolite_name>1-O-Galloylfructose</metabolite_name><metabolite_name>Lipoyl-GMP</metabolite_name><metabolite_name>5-Aminopentanoic acid</metabolite_name><metabolite_name>Valine</metabolite_name><metabolite_name>1-18:2-2-18:2-phosphatidylinositol</metabolite_name><metabolite_name>7',8'-Dihydro-8'-hydroxycitraniaxanthin</metabolite_name><metabolite_name>pGp</metabolite_name><metabolite_name>4-Hydroxyglutamate semialdehyde</metabolite_name><metabolite_name>6-O-galloylglucose</metabolite_name><metabolite_name>alpha-Licanic acid</metabolite_name><metabolite_name>1-O-Myristoyl-2-acetyl-glycerol</metabolite_name><metabolite_name>Tetracosapentaenoic acid (24:5n-6)</metabolite_name><metabolite_name>Cytidine 5'-diphosphate (CDP)</metabolite_name><metabolite_name>3,4-Dimethyl-5-propyl-2-furantridecanoic acid</metabolite_name><metabolite_name>Methyl-[10]-shogaol</metabolite_name><metabolite_name>Hydroxyisocaproic acid</metabolite_name><metabolite_name>Glutathione disulfide</metabolite_name><metabolite_name>FAHFA(18:1(9Z)/10-O-18:0)</metabolite_name><metabolite_name>Succinyl-CoA</metabolite_name><metabolite_name>3-Oxovalproic acid</metabolite_name><metabolite_name>Glutamylvaline</metabolite_name><metabolite_name>Linalyl butyrate</metabolite_name><metabolite_name>dADP</metabolite_name><metabolite_name>Tetracosenoic acid</metabolite_name><metabolite_name>Deoxycholyltyrosine</metabolite_name><metabolite_name>Liothyronine</metabolite_name><metabolite_name>9-Oxo-10(E),12(E)-octadecadienoic acid</metabolite_name><metabolite_name>Octadecanoic acid</metabolite_name><metabolite_name>9beta,11beta-Epoxy-17beta-hydroxy-17-methylandrost-4-en-3-one</metabolite_name><metabolite_name>4-Octylphenol</metabolite_name><metabolite_name>6,8-Docosanedione</metabolite_name><metabolite_name>Lithocholate 3-O-glucuronide</metabolite_name><metabolite_name>Tyrosyl-Lysine</metabolite_name><metabolite_name>10-OPDA</metabolite_name><metabolite_name>Glucose 6-phosphate</metabolite_name><metabolite_name>Indole-3-carboxaldehyde</metabolite_name><metabolite_name>15-Deoxyprostaglandin J2</metabolite_name><metabolite_name>8HPETE</metabolite_name><metabolite_name>2,3-Dimethylsuccinic acid</metabolite_name><metabolite_name>9-Oxononanoic acid</metabolite_name><metabolite_name>3-Hydroxy-1-phenyl-1-octadecanone</metabolite_name><metabolite_name>1-Phenyl-1,3-octadecanedione</metabolite_name><metabolite_name>Undec-6-enoylcarnitine</metabolite_name><metabolite_name>2,4-dihydroxybutanoate</metabolite_name><metabolite_name>N-palmitoyl-threonine</metabolite_name><metabolite_name>Urethane</metabolite_name><metabolite_name>2'-Deoxyadenosine 5'-monophosphate (dAMP)</metabolite_name><metabolite_name>Asp-Phe</metabolite_name><metabolite_name>2-Methylpropyl benzoate</metabolite_name><metabolite_name>Glutamate</metabolite_name><metabolite_name>2-Hydroxy-3-methylpentanoic acid</metabolite_name><metabolite_name>Prostanoic acid</metabolite_name><metabolite_name>Hydroquinone</metabolite_name><metabolite_name>Toluate</metabolite_name><metabolite_name>8HETrE</metabolite_name><metabolite_name>PE(P-16:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>2',4',6'-Trihydroxy-3'-formyldihydrochalcone</metabolite_name><metabolite_name>Deoxythymidine 5'-phosphate (dTMP)</metabolite_name><metabolite_name>12,15-Epoxy-13,14-dimethyleicosa-10,12,14-trienoic acid</metabolite_name><metabolite_name>alpha-C-Mannosyltryptophan</metabolite_name><metabolite_name>Monobutyl phthalate</metabolite_name><metabolite_name>16-hydroxypalmitoyl-CoA</metabolite_name><metabolite_name>Threonylcarbamoyladenylate</metabolite_name><metabolite_name>5-[4-Hydroxy-2-[3-hydroxyoct-1-enyl]oxan-3-yl]pent-3-enoic acid</metabolite_name><metabolite_name>2-Aminoadipic acid</metabolite_name><metabolite_name>2',4',6'-Trihydroxydihydrochalcone 4'-glucoside</metabolite_name><metabolite_name>PI(16:0/18:0)</metabolite_name><metabolite_name>1-Palmitoyl-2-(5-keto-6-octenedioyl)-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Prostaglandin I2</metabolite_name><metabolite_name>11'-Carboxy-gamma-tocotrienol</metabolite_name><metabolite_name>2-{[Hexadec-9-enoyl]oxy}-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate</metabolite_name><metabolite_name>Chalconosakuranetin</metabolite_name><metabolite_name>tetradecenoyl-CoA</metabolite_name><metabolite_name>Gibberellin A12 aldehyde</metabolite_name><metabolite_name>Lanceolatin C</metabolite_name><metabolite_name>Dodecanoic acid</metabolite_name><metabolite_name>2-Oxooctadecanoic acid</metabolite_name><metabolite_name>3,4-Dimethyl-5-propyl-2-furannonanoic acid</metabolite_name><metabolite_name>LysoPE(P-18:0/0:0)</metabolite_name><metabolite_name>5-Nitroxystearic acid</metabolite_name><metabolite_name>Ethyl aconitate</metabolite_name><metabolite_name>Annoglabasin F</metabolite_name><metabolite_name>O-Acetyl-serine</metabolite_name><metabolite_name>12-Oxophyto-10,15-dienoate</metabolite_name><metabolite_name>1-linoleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)</metabolite_name><metabolite_name>5beta-Cholanic acid</metabolite_name><metabolite_name>Deoxythymidine triphosphate (dTTP)</metabolite_name><metabolite_name>Tryptophyl-Cysteine</metabolite_name><metabolite_name>PI(16:0/18:1)</metabolite_name><metabolite_name>Methyl linoleate</metabolite_name><metabolite_name>Limaprost</metabolite_name><metabolite_name>13,16,19-Docosatrienoic acid</metabolite_name><metabolite_name>FAHFA(18:1(9Z)/8-O-18:0)</metabolite_name><metabolite_name>N-Myristoyl Cysteine</metabolite_name><metabolite_name>1-18:1-2-18:1-phosphatidylethanolamine</metabolite_name><metabolite_name>2-Hydroxyglutaric acid</metabolite_name><metabolite_name>Pelargonic acid</metabolite_name><metabolite_name>13(S)-HODE</metabolite_name><metabolite_name>3-Aminopentanedioate</metabolite_name><metabolite_name>Mono-(2-ethyl-5-hydroxyhexyl) phthalate</metabolite_name><metabolite_name>Tetracosapentenoic acid</metabolite_name><metabolite_name>11-Hydroperoxyoctadeca-9,12-dienoic acid</metabolite_name><metabolite_name>Methyl ethyl ketone</metabolite_name><metabolite_name>Sarcosine</metabolite_name><metabolite_name>13-Oxo-9,11-tridecadienoic acid</metabolite_name><metabolite_name>Methylmalonyl-CoA</metabolite_name><metabolite_name>S-(2-Hydroxy-3-buten-1-yl)glutathione</metabolite_name><metabolite_name>16-Hydroxypalmitic acid</metabolite_name><metabolite_name>Taurine</metabolite_name><metabolite_name>Licochalcone B</metabolite_name><metabolite_name>2-methylcitrate</metabolite_name><metabolite_name>Glutamyltyrosine</metabolite_name><metabolite_name>Phosphatidylinositols,soya</metabolite_name><metabolite_name>2-Methylvaleric acid</metabolite_name><metabolite_name>Mannose 6-phosphate</metabolite_name><metabolite_name>3-hydroxyhexadecanoate</metabolite_name><metabolite_name>Lithocholic acid</metabolite_name><metabolite_name>xi-7-Hydroxyhexadecanedioic acid</metabolite_name><metabolite_name>Tridecanoylglycine</metabolite_name><metabolite_name>10-Hydroxy-3-oxooctadecatrienoic acid</metabolite_name><metabolite_name>Glycerol 1,3-didodecanoate 2-decanoate</metabolite_name><metabolite_name>PE(P-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Docosahexaenoicacid(DHA)</metabolite_name><metabolite_name>Oleoyl-CoA</metabolite_name><metabolite_name>5-Hydroxyvalproic acid</metabolite_name><metabolite_name>5-Hydroxytryptophan</metabolite_name><metabolite_name>Tridecanedioic acid</metabolite_name><metabolite_name>Furfuryl octanoate</metabolite_name><metabolite_name>beta-Alanine</metabolite_name><metabolite_name>F4-Neuroprostane (4-series)</metabolite_name><metabolite_name>Geranyl acetoacetate</metabolite_name><metabolite_name>N-Formylmethionine</metabolite_name><metabolite_name>3-Hydroxyhexadecanoyl-CoA</metabolite_name><metabolite_name>Myristoleic acid</metabolite_name><metabolite_name>Psicofuranine</metabolite_name><metabolite_name>17beta-(Hydroxymethyl)androst-4-en-3-one acetate</metabolite_name><metabolite_name>Docosatrienoic acid</metabolite_name><metabolite_name>Methionine</metabolite_name><metabolite_name>1,2-dioctanoylglycerol</metabolite_name><metabolite_name>Guanosine 3'-phosphate</metabolite_name><metabolite_name>Tetranorprostanedioic acid</metabolite_name><metabolite_name>9-Oxooctadecanoic acid</metabolite_name><metabolite_name>Asebogenin</metabolite_name><metabolite_name>4-Methylbenzenesulfonic acid</metabolite_name><metabolite_name>Glycerol 1-(5-hydroxydodecanoate)</metabolite_name><metabolite_name>N-Oleoyl Isoleucine</metabolite_name><metabolite_name>1,2-Epoxy-1,2,7,7',8,8',11,12-octahydro-psi,psi-carotene</metabolite_name><metabolite_name>N-palmitoyl-leucine</metabolite_name><metabolite_name>4-Hydroxyproline</metabolite_name><metabolite_name>Hydrangeic acid</metabolite_name><metabolite_name>5-oxo-prolyl-valine</metabolite_name><metabolite_name>3-Glucogallic acid</metabolite_name><metabolite_name>Undecanoic acid</metabolite_name><metabolite_name>FAHFA(18:1(9Z)/11-O-18:0)</metabolite_name><metabolite_name>Ethyl icosapentate</metabolite_name><metabolite_name>tetradec-4-enoyl-CoA</metabolite_name><metabolite_name>Penicillin G</metabolite_name><metabolite_name>Oryzarol</metabolite_name><metabolite_name>Oleoylcarnitine (C18:1)</metabolite_name><metabolite_name>Retinol acetate</metabolite_name><metabolite_name>Prostaglandin H2 (PGH2)</metabolite_name><metabolite_name>2-Aminobutyric acid</metabolite_name><metabolite_name>Glycerylmonooleate</metabolite_name><metabolite_name>Leukotriene C4</metabolite_name><metabolite_name>1-Heptadecanoylglycerophosphoethanolamine</metabolite_name><metabolite_name>6-Paradol</metabolite_name><metabolite_name>4'-Apo-beta,psi-caroten-4'-al</metabolite_name><metabolite_name>all-trans-8'-Apo-beta-carotenal</metabolite_name><metabolite_name>15-Docosenoic acid</metabolite_name><metabolite_name>Prostaglandin F1alpha</metabolite_name><metabolite_name>Phenylalanine</metabolite_name><metabolite_name>4-Oxononanal</metabolite_name><metabolite_name>1-Linoleoylglycerophosphocholine [M]</metabolite_name><metabolite_name>Deoxycholylphenylalanine</metabolite_name><metabolite_name>Phenylacetylglycine</metabolite_name><metabolite_name>FADH2</metabolite_name><metabolite_name>Prolylhydroxyproline</metabolite_name><metabolite_name>tetracosa-9,12,15,18,21-pentenoate</metabolite_name><metabolite_name>Guanosine 5'-monophosphate (GMP)</metabolite_name><metabolite_name>3-Phenylpropanoic acid</metabolite_name><metabolite_name>2-(Butanoylamino)-5-[[2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid</metabolite_name><metabolite_name>Decadienedioic acid</metabolite_name><metabolite_name>[6]-Gingerol</metabolite_name><metabolite_name>7-Hydroxydodecanoate</metabolite_name><metabolite_name>2,4,6-Trimethoxybenzophenone</metabolite_name><metabolite_name>Uracil</metabolite_name><metabolite_name>1-arachidonoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>pinolenate</metabolite_name><metabolite_name>Indolelactic acid</metabolite_name><metabolite_name>N-(3-Oxooctanoyl)homoserine lactone</metabolite_name><metabolite_name>2-Dehydro-glucono-1,5-lactone</metabolite_name><metabolite_name>Norleucine</metabolite_name><metabolite_name>2,4-Nonanedione</metabolite_name><metabolite_name>Creatine</metabolite_name><metabolite_name>N-palmitoyl-glutamate</metabolite_name><metabolite_name>5-Aminolevulinic acid</metabolite_name><metabolite_name>2-Methylserine</metabolite_name><metabolite_name>Caprylic acid</metabolite_name><metabolite_name>Boc-cysteine</metabolite_name><metabolite_name>1-18:0-2-18:2-phosphatidylserine</metabolite_name><metabolite_name>8-Oxo-dGDP</metabolite_name><metabolite_name>Isosteviol</metabolite_name><metabolite_name>Ciprostene</metabolite_name><metabolite_name>Tyrosine</metabolite_name><metabolite_name>1-Oleoyl-sn-glycerol 3-phosphate</metabolite_name><metabolite_name>3-Succinoylpyridine</metabolite_name><metabolite_name>N-Eicosapentaenoyl Tyrosine</metabolite_name><metabolite_name>Grevillol</metabolite_name><metabolite_name>9-Hydroxyoctadecanoic acid</metabolite_name><metabolite_name>3-Methoxy-2-(4-methylbenzoyl)-4H-1-benzopyran-4-one</metabolite_name><metabolite_name>N2,N2-Dimethylguanosine</metabolite_name><metabolite_name>3-Ureidopropionic acid</metabolite_name><metabolite_name>Ethyl acetate</metabolite_name><metabolite_name>1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide</metabolite_name><metabolite_name>3-Amino-3-(4-hydroxyphenyl)propanoic acid</metabolite_name><metabolite_name>2HOT</metabolite_name><metabolite_name>N-methyl-valine</metabolite_name><metabolite_name>N-(4-aminobenzoyl)-glutamate</metabolite_name><metabolite_name>N-palmitoyl-lysine</metabolite_name><metabolite_name>LysoPI(0:0/18:0)</metabolite_name><metabolite_name>3-Hydroxylauric acid</metabolite_name><metabolite_name>Oxalic acid</metabolite_name><metabolite_name>3-Methyl-5-pentyl-2-furanpropanoic acid</metabolite_name><metabolite_name>Hypoxanthine</metabolite_name><metabolite_name>2,4,6,8,10,12-Docosahexaenoic acid, ethyl ester</metabolite_name><metabolite_name>Adipic acid</metabolite_name><metabolite_name>Prolyl-Tryptophan</metabolite_name><metabolite_name>Homoserine</metabolite_name><metabolite_name>2'-Deoxyguanosine 5'-diphosphate (dGDP)</metabolite_name><metabolite_name>5Z,8Z,11Z-Eicosatrienoic acid</metabolite_name><metabolite_name>Hippuric acid</metabolite_name><metabolite_name>docosapenta-2,4,6,8,10-enoate</metabolite_name><metabolite_name>Pivagabine</metabolite_name><metabolite_name>Uridine 5'-monophosphate (UMP)</metabolite_name><metabolite_name>3-hydroxybenzaldehyde</metabolite_name><metabolite_name>1-Palmitoyllysophosphatidate</metabolite_name><metabolite_name>LPE(18:1(9Z)/0:0)</metabolite_name><metabolite_name>Dihydroxyoctadeca-9,12,15-trienoic acid</metabolite_name><metabolite_name>beta-Guanidinopropionic acid</metabolite_name><metabolite_name>N-lactoyl-Tyrosine</metabolite_name><metabolite_name>F4-Neuroprostane (7-series)</metabolite_name><metabolite_name>4-Phenylbutanoic acid</metabolite_name><metabolite_name>N-Stearoyl GABA</metabolite_name><metabolite_name>Imazamethabenz</metabolite_name><metabolite_name>N-Myristoyl Methionine</metabolite_name><metabolite_name>16-Hydroxy-9,12,14-octadecatrienoic acid</metabolite_name><metabolite_name>3-Hydroxy-palmitic acid methyl ester</metabolite_name><metabolite_name>1,2-Dioleoyl-sn-glycero-3-phosphoglycerol</metabolite_name><metabolite_name>UDP-N-acetylglucosamine</metabolite_name><metabolite_name>Methyl palmitate</metabolite_name><metabolite_name>Gly-Ala</metabolite_name><metabolite_name>2-Hydroxybutyric acid</metabolite_name><metabolite_name>Apigenin 7-glucuronide</metabolite_name><metabolite_name>threo-3-Methylaspartate</metabolite_name><metabolite_name>Isoleucine</metabolite_name><metabolite_name>2-Methyl-3-hydroxybutyric acid</metabolite_name><metabolite_name>Crepenynate</metabolite_name><metabolite_name>5-Hydroxypentanoate</metabolite_name><metabolite_name>1-oleoyl-2-linoleoyl-phosphatidylcholine</metabolite_name><metabolite_name>Arachidonic acid (AA)</metabolite_name><metabolite_name>3beta,7alpha-Dihydroxy-5-cholestenoate</metabolite_name><metabolite_name>Phenyl glucuronide</metabolite_name><metabolite_name>Adenine</metabolite_name><metabolite_name>Acetoin</metabolite_name><metabolite_name>Acetyl-CoA</metabolite_name><metabolite_name>hematoxylene</metabolite_name><metabolite_name>10-Oxo-8-decenoic acid</metabolite_name><metabolite_name>4,4'-Diaponeurosporenic acid</metabolite_name><metabolite_name>2,2'-Iminodiacetic acid</metabolite_name><metabolite_name>Povpc</metabolite_name><metabolite_name>3'-N-Acetyl-4'-O-(10,12-octadecadienoyl)fusarochromanone</metabolite_name><metabolite_name>N-Palmitoyl Cysteine</metabolite_name><metabolite_name>5Z,13Z-Docosadienoic acid</metabolite_name><metabolite_name>PC(18:0/20:4)</metabolite_name><metabolite_name>Inosine</metabolite_name><metabolite_name>Cytidine 5'-diphosphocholine (CDP-choline)</metabolite_name><metabolite_name>1-Hydroxy-2,12,15-heneicosatrien-4-one</metabolite_name><metabolite_name>xi-5-Hydroxydodecanoic acid</metabolite_name><metabolite_name>Lumichrome</metabolite_name><metabolite_name>N,N-Diethylglycine</metabolite_name><metabolite_name>Dimethylglycine</metabolite_name><metabolite_name>LysoPE(20:0/0:0)</metabolite_name><metabolite_name>Asp-Leu</metabolite_name><metabolite_name>N-Hydroxy-tryptophan</metabolite_name><metabolite_name>Glutamine</metabolite_name><metabolite_name>2-Pyrrolidinone</metabolite_name><metabolite_name>18-Hydroxyeicosapentaenoic acid</metabolite_name><metabolite_name>9,10,18-Trihydroxystearate</metabolite_name><metabolite_name>5,10-methylene-THF</metabolite_name><metabolite_name>Phenylacetic acid</metabolite_name><metabolite_name>12,15-Epoxy-13,14-dimethyleicosa-12,14,16-trienoic acid</metabolite_name><metabolite_name>Caproic acid</metabolite_name><metabolite_name>PC(15:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>Octadec-11-en-9-ynoic acid</metabolite_name><metabolite_name>FAHFA(18:1(9Z)/12-O-18:0)</metabolite_name><metabolite_name>3,4-Dimethyl-5-pentyl-2-furanheptanoic acid</metabolite_name><metabolite_name>Adenosine 5'-diphosphate (ADP)</metabolite_name><metabolite_name>2-Ethylicosa-2,4,6,8,10-pentaenoic acid</metabolite_name><metabolite_name>Myristoylglycine</metabolite_name><metabolite_name>Naringin chalcone</metabolite_name><metabolite_name>Uridine 5'-triphosphate (UTP)</metabolite_name><metabolite_name>N-Acetylmethionine</metabolite_name><metabolite_name>Ala-Gly</metabolite_name><metabolite_name>2-hydroxy-palmitoyl-CoA</metabolite_name><metabolite_name>Histidine</metabolite_name><metabolite_name>Ala-Glu</metabolite_name><metabolite_name>3,4-Methylenesebacic acid</metabolite_name><metabolite_name>2-O-Glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Ethylmalonic acid</metabolite_name><metabolite_name>N-oleoyl-leucine</metabolite_name><metabolite_name>10-nitrooctadecenoic Acid</metabolite_name><metabolite_name>Acetylleucine</metabolite_name><metabolite_name>Mono-benzyl phthalate</metabolite_name><metabolite_name>9-nitrooctadecenoic Acid</metabolite_name><metabolite_name>Propionic acid</metabolite_name><metabolite_name>4-Hydroxybenzoic acid</metabolite_name><metabolite_name>15-HETE</metabolite_name><metabolite_name>9-Octadecenoic acid , (2-hydroxy-2-oxido-1,2-oxaphospholan-4-yl)methyl ester</metabolite_name><metabolite_name>2-acyl-sn-glycero-3-phosphoethanolamine (n-C18:0)</metabolite_name><metabolite_name>12-Hydroxydodecanoic acid</metabolite_name><metabolite_name>Valproic acid</metabolite_name><metabolite_name>1-Methyl-2-oxopropyl butyrate</metabolite_name><metabolite_name>Sebacic acid</metabolite_name><metabolite_name>5,6-DHET</metabolite_name><metabolite_name>15-OxoETE</metabolite_name><metabolite_name>apo-8'-lycopenal</metabolite_name><metabolite_name>Corchorifatty acid A</metabolite_name><metabolite_name>Maackiain</metabolite_name><metabolite_name>Cysteinylglycine</metabolite_name><metabolite_name>Nicotinamide</metabolite_name><metabolite_name>Palmitoylcarnitine (C16:0)</metabolite_name><metabolite_name>Corchorifatty acid D</metabolite_name><metabolite_name>N-arachidonoyl-threonine</metabolite_name><metabolite_name>N-Docosahexaenoyl Cysteine</metabolite_name><metabolite_name>Theophylline</metabolite_name><metabolite_name>13(S)-HpOTrE</metabolite_name><metabolite_name>tetracosa-6,9,12,15,18,21-hexaenoate</metabolite_name><metabolite_name>1-stearoyl-sn-glycero-3-phosphoinositol</metabolite_name><metabolite_name>N-Lactoylleucine</metabolite_name><metabolite_name>Flavin mononucleotide (FMN)</metabolite_name><metabolite_name>2,3-Dinor-8-iso prostaglandin F1alpha</metabolite_name><metabolite_name>7-Ketodeoxycholic acid</metabolite_name><metabolite_name>3-Methylglutaric acid</metabolite_name><metabolite_name>1-(11Z,14Z-eicosadienoyl)-glycero-3-phosphate</metabolite_name><metabolite_name>Phthalate</metabolite_name><metabolite_name>Acetyl-maltose</metabolite_name><metabolite_name>1-myristoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>11-Tetradecenoyl-CoA</metabolite_name><metabolite_name>7,9-Docosanedione</metabolite_name><metabolite_name>Annosquamosin A</metabolite_name><metabolite_name>Diisobutyl phthalate</metabolite_name><metabolite_name>myo-Inositol</metabolite_name><metabolite_name>10,16-Dihydroxyhexadecanoic acid</metabolite_name><metabolite_name>Thyroxine</metabolite_name><metabolite_name>Cosahexaenoic acid</metabolite_name><metabolite_name>Methyl n-acetylanthranilate</metabolite_name><metabolite_name>Pyroglutamic acid</metabolite_name><metabolite_name>5-Methyldihydrofolic acid</metabolite_name><metabolite_name>Kynurenine</metabolite_name><metabolite_name>3-Hydroxyoctanoic acid</metabolite_name><metabolite_name>Linoleoyl-CoA</metabolite_name><metabolite_name>Uridine 5'-diphosphate (UDP)</metabolite_name><metabolite_name>2-Nitrophenol</metabolite_name><metabolite_name>6-Hydroxypentadecanedioic acid</metabolite_name><metabolite_name>Hydroxyphenyllactic acid</metabolite_name><metabolite_name>Adenosine 3',5'-cyclic phosphate (cAMP)</metabolite_name><metabolite_name>Prostaglandin B2 (PGB2)</metabolite_name><metabolite_name>5-Hydroxy-1-(3-hydroxy-4-methoxyphenyl)decan-3-one</metabolite_name><metabolite_name>N-Lactoylphenylalanine</metabolite_name><metabolite_name>Salicylic acid</metabolite_name><metabolite_name>Alanine</metabolite_name><metabolite_name>2-Methylguanosine</metabolite_name><metabolite_name>Levulinic acid</metabolite_name><metabolite_name>Dodecanedioic acid</metabolite_name><metabolite_name>Tryptophan</metabolite_name><metabolite_name>Xanthine</metabolite_name><metabolite_name>Fructose 6-phosphate</metabolite_name><metabolite_name>Deoxyguanosine</metabolite_name><metabolite_name>octadeca-8,10,12-trienoate</metabolite_name><metabolite_name>4'-Methoxybenzophenone-2-carboxylic acid</metabolite_name><metabolite_name>1-Stearoylglycerophosphoserine</metabolite_name><metabolite_name>Asparagine</metabolite_name><metabolite_name>10-Formyltetrahydropteroyldiglutamate</metabolite_name><metabolite_name>isoleucyl-glutamate</metabolite_name><metabolite_name>2-Hydroxyisobutyric acid</metabolite_name><metabolite_name>5-OxoETE</metabolite_name><metabolite_name>sn-glycero-3-phospho-N-(arachidonoyl)ethanolamine</metabolite_name><metabolite_name>N-Decanoylglycine</metabolite_name><metabolite_name>Lactate</metabolite_name><metabolite_name>(4Z,9a)-9-Angeloyloxy-4,10(14)-oplopadien-3-one</metabolite_name><metabolite_name>Heptyl p-hydroxybenzoate</metabolite_name><metabolite_name>Dibutyl phthalate</metabolite_name><metabolite_name>6-Keto-prostaglandin F1alpha</metabolite_name><metabolite_name>2-Hydroxyhexanoic acid</metabolite_name><metabolite_name>5,7-Tetracosanedione</metabolite_name><metabolite_name>Isocaproic acid</metabolite_name><metabolite_name>17-methyloctadecanoylcarnitine</metabolite_name><metabolite_name>Pantetheine</metabolite_name><metabolite_name>ent-15-Oxo-16-kauren-19-oic acid</metabolite_name><metabolite_name>2-acyl-sn-glycero-3-phosphoglycerol (n-C18:0)</metabolite_name><metabolite_name>leucyl-glutamate</metabolite_name><metabolite_name>Methylmalonic acid</metabolite_name><metabolite_name>Adenosine monophosphate (AMP)</metabolite_name><metabolite_name>11-Methoxyyangonin</metabolite_name><metabolite_name>Maleic acid</metabolite_name><metabolite_name>Malic acid</metabolite_name><metabolite_name>Flavin adenine dinucleotide (FAD)</metabolite_name><metabolite_name>13,14-dihydro-prostaglandin E1</metabolite_name><metabolite_name>Glutamylleucine</metabolite_name><metabolite_name>Dihomo-gamma-linolenate</metabolite_name><metabolite_name>Gluconic acid</metabolite_name><metabolite_name>1-Carboxyethyltyrosine</metabolite_name><metabolite_name>Garcimangosone D</metabolite_name><metabolite_name>3-oxo-myristate</metabolite_name><metabolite_name>3-Amino-4-methylpentanoic acid</metabolite_name><metabolite_name>Indole-3-acetaldehyde</metabolite_name><metabolite_name>IMP</metabolite_name><metabolite_name>Undecanedioic acid</metabolite_name><metabolite_name>S-Adenosylhomocysteine</metabolite_name><metabolite_name>O-(17-Carboxyheptadecanoyl)carnitine</metabolite_name><metabolite_name>Cysteinyl-Tryptophan</metabolite_name><metabolite_name>3-Hydorxy-3-methylglutaric acid</metabolite_name><metabolite_name>1-icosanoyl-sn-glycerol 3-phosphate</metabolite_name><metabolite_name>2-Hydroxy-2-methylbutyric acid</metabolite_name><metabolite_name>Docosadienoic acid</metabolite_name><metabolite_name>Pyruvaldehyde</metabolite_name><metabolite_name>Heptadecanoyl carnitine</metabolite_name><metabolite_name>12-Hydroxystearic acid</metabolite_name><metabolite_name>N-Palmitoyl Isoleucine</metabolite_name><metabolite_name>Diglycine</metabolite_name><metabolite_name>Butyl 3-hydroxy-2-methylidenebutanoate</metabolite_name><metabolite_name>PC(16:1(9Z)/20:0)</metabolite_name><metabolite_name>Butanoic acid</metabolite_name><metabolite_name>Isolithocholic acid</metabolite_name><metabolite_name>Chenodeoxycholyltyrosine</metabolite_name><metabolite_name>Leucine</metabolite_name><metabolite_name>18-Hydroxyoleoyl-CoA</metabolite_name><metabolite_name>Taurodeoxycholic acid</metabolite_name><metabolite_name>Kelatorphan</metabolite_name><metabolite_name>Dihydrobisanhydrobacterioruberin</metabolite_name><metabolite_name>Hydnocarpic acid</metabolite_name><metabolite_name>4-Aminobutyric acid (GABA)</metabolite_name><metabolite_name>Azelaic acid</metabolite_name><metabolite_name>N-arachidonoyl-glutamate</metabolite_name><metabolite_name>Cholyltyrosine</metabolite_name><metabolite_name>3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone</metabolite_name><metabolite_name>1-heptadecanoyl-sn-glycero-3-phosphocholine</metabolite_name><metabolite_name>Baicalin</metabolite_name><metabolite_name>Uridine 5'-diphosphoglucuronic acid (UDP-glucuronate)</metabolite_name><metabolite_name>4-O-Methylpinosylvic acid</metabolite_name><metabolite_name>glycine methyl ester</metabolite_name><metabolite_name>3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid</metabolite_name><metabolite_name>2',4',6'-Trihydroxydihydrochalcone 2'-glucoside</metabolite_name><metabolite_name>malonyl-CoA methyl ester</metabolite_name><metabolite_name>16,16-Dimethylprostaglandin E2</metabolite_name><metabolite_name>Phenylalanine glutamate</metabolite_name><metabolite_name>Deoxycholic acid</metabolite_name><metabolite_name>PE(P-18:0/20:4(5Z,8Z,11Z,14Z))</metabolite_name><metabolite_name>S-Lactoylglutathione</metabolite_name><metabolite_name>Helichysetin</metabolite_name><metabolite_name>2-Methylpropyl 3-hydroxy-2-methylidenebutanoate</metabolite_name><metabolite_name>LysoPS(18:2(9Z,12Z)/0:0)</metabolite_name><metabolite_name>Isatin</metabolite_name><metabolite_name>PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))</metabolite_name><metabolite_name>trans-Tetradec-2-enoyl-CoA</metabolite_name><metabolite_name>9-Hydroxyoctadecenoyl-CoA</metabolite_name><metabolite_name>2-Methylpropanoate</metabolite_name><metabolite_name>Chenodeoxycholylphenylalanine</metabolite_name><metabolite_name>2'-Deoxyguanosine 5'-monophosphate (dGMP)</metabolite_name><metabolite_name>3-hydroxy-octadecenoyl-CoA</metabolite_name><metabolite_name>1,7-Dimethylxanthine</metabolite_name></additional><is_claimable>false</is_claimable><name>Medicarpin suppresses gastric cancer growth through modulation of mevalonate pathway-associated cholesterol biosynthesis</name><description>Background: Gastric cancer (GC) is an aggressive malignancy characterized by metabolic reprogramming, including dysregulated cholesterol biosynthesis. Medicarpin (Med), a natural isoflavan isolated from Radix Hedysari, has shown pharmacological potential; however, its anti-GC activity and metabolic mechanisms remain unclear. Methods: The effects of Med on cell viability, proliferation, colony formation, and migration were evaluated in AGS and HGC-27 GC cells. Its antitumor efficacy and preliminary tolerability were assessed in nude-mouse xenograft models. Untargeted metabolomics and quantitative proteomics were integrated to identify Med-associated metabolic alterations and targets. Western blotting, cholesterol measurement, Filipin staining, and exogenous cholesterol rescue assays were performed to validate the mechanism. Results: Med significantly inhibited the viability, proliferation, clonogenicity, and migration of AGS and HGC-27 cells in a concentration- and time-dependent manner, while showing minimal cytotoxicity in normal gastric mucosal GES-1 cells. In xenograft models, Med reduced tumor volume and weight without body-weight loss or histopathological injury to major organs. Multi-omics analyses revealed extensive metabolic remodeling, with marked suppression of lipid, steroid, and primary bile acid biosynthesis. Proteomic analysis and Western blotting showed that Med downregulated the key mevalonate pathway enzymes MVK, HMGCS1, and LSS, thereby reducing intracellular cholesterol levels. Exogenous cholesterol supplementation substantially reversed Med-induced inhibition of GC cell viability, proliferation, and colony formation. Conclusion: Med suppresses GC progression by downregulating MVK, HMGCS1, and LSS, thereby inhibiting mevalonate pathway-mediated cholesterol biosynthesis. These findings support Med as a promising natural candidate for targeting lipid metabolic reprogramming in 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