{"database":"MetaboLights","file_versions":[{"headers":{"Content-Type":["application/json"]},"body":{"files":{"Tabular":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/m_MTBLS12818_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsv","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/m_MTBLS12818_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsv"],"Txt":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/i_Investigation.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/a_MTBLS12818_LC-MS_positive_reverse-phase_metabolite_profiling.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/a_MTBLS12818_LC-MS_negative_reverse-phase_metabolite_profiling.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/s_MTBLS12818.txt"],"Raw":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS7.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS7.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC7.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS1.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS2.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC7.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS6.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC8.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC8.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS8.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS8.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS4.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS3.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC5.raw","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS4.raw"]},"type":"primary"},"statusCode":"OK","statusCodeValue":200}],"scores":null,"additional":{"ftp_download_link":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818"],"metabolite_identification_protocol":["<p>Metabolite identification was performed by searching and matching against spectral databases including HMDB, MassBank, METLIN, MoNA, mzVault, KEGG, and an in-house metabolite standard database. All metabolites in the quantitative list were compared and matched with MS1/MS2 fragment ion information from each database entry to achieve compound identification and annotation with corresponding database identifiers.</p>"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse phase","Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["<p>1)Instrument: Thermo Vanquish, Thermo Fisher Scientific, USA, ultra-high performance liquid chromatography system.</p><p>2)Column: ACQUITY UPLC® HSS T3, 1.8 µm, 2.1 × 100 mm (Waters, Milford, MA, USA).</p><p>3)Chromatographic separation conditions: Column temperature 40 °C; flow rate 0.30 mL/min; mobile phase for positive ion mode: 0.1% formic acid in acetonitrile (B2) and 0.1% formic acid in water (A2); mobile phase for negative ion mode: acetonitrile (B3) and 5 mM ammonium formate in water (A3); injection volume 2 µL.</p><p>4)Gradient elution program:</p><p>i. Positive ion mode: 0–1 min: 10% B2; 1–5 min: 10% to 98% B2; 5–6.5 min: 98% B2; 6.5–6.6 min: 98% to 10% B2; 6.6–8 min: 10% B2&nbsp;</p><p>ii. Negative ion mode: 0–1 min: 10% B3; 1–5 min: 10% to 98% B3; 5–6.5 min: 98% B3; 6.5–6.6 min: 98% to 10% B3; 6.6–8 min: 10% B3</p>"],"publication":["Dietary hispidulin ameliorated chemically-Induced colitis by inhibiting epithelial cell ferroptosis via the ACAT2-GPX4 axis and remodeling the gut microbiota."],"submitter_affiliation":["non"],"submitter_name":["dan yang"],"organism_part":["intestine"],"technology_type":["mass spectrometry"],"disease":[""],"extraction_protocol":["<p>1)Accurately weigh an appropriate amount of sample into a 2 mL EP tube, add 600 µL of 2-chlorophenylalanine (4 ppm) prepared in methanol, then vortex for 30 seconds.</p><p>2)Add steel beads and place the tube into a tissue grinder. Grind at 50 Hz for 120 seconds.</p><p>3)Ultrasonicate at room temperature for 10 minutes.</p><p>4)Centrifuge at 12,000 rpm, 4 °C for 10 minutes. Collect the supernatant and filter through a 0.22 μm membrane. Transfer the filtrate into a vial for analysis.</p><p>5)Take 20 µL from each sample to mix into a QC sample. The QC sample is used to correct deviations in the analysis results of the mixed samples and errors caused by the instrument itself. If the number of experimental samples exceeds 20, QC samples will be injected for quality control;&nbsp;&nbsp;if 20 or fewer samples are tested, QC injections will not be arranged.</p><p>6)Use the remaining samples for LC-MS detection.</p>"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS12818"],"author":["Yongjian Xiong. The First Affiliated Hospital of Dalian Medical University. 222 Zhongshan Road, Xigang District, Dalian, Liaoning, China. private007@126.com."],"data_transformation_protocol":["<p>1)Converting the raw mass spectrometry data files to mzXML format using the MSConvert tool from the ProteoWizard software package.</p><p>2)Performing peak identification, peak filtration, and peak alignment using the XCMS package in R. Key parameters include:bw = 2, ppm = 15, peakwidth = c(5, 30), mzwid = 0.015, mzdiff = 0.01, method = 'centWave'.</p><p>3)Generating a data matrix containing information such as mass-to-charge ratio (m/z), retention time (rt), and peak intensity, and exporting the data to Excel for further analysis.</p><p>4)To enable comparison across different data scales, total peak area normalization (Sum peak normalization) is applied for quantitative value correction.</p>"],"study_factor":["Treatment"],"submitter_email":["3105436963@qq.com"],"sample_collection_protocol":["<p>The samples were mouse (C57) fecal samples. The DSS model group (DSS group) and the DSS administration group (FUC&nbsp;group) were given DSS by drinking water for 7 days, and the FUC group was given Hispidulin by gavage. On April 7, 2025, feces were collected from the School of Pharmacy, Dalian Medical University, stored on drikold, and sent for metabolomics analysis.</p>"],"omics_type":["Metabolomics"],"study_design":["Mus musculus","untargeted metabolites","Feces"],"curator_keywords":["Mus musculus","untargeted metabolites","Feces"],"mass_spectrometry_protocol":["<p>1)Instrument: Thermo Q Exactive Focus mass spectrometer, Thermo Fisher Scientific, USA.</p><p>2)MS Conditions: Electrospray ionization source (ESI), data collected in both positive and negative ion modes. Positive ion spray voltage: 3.50 kV; negative ion spray voltage: -2.50 kV; sheath gas: 40 arb; auxiliary gas: 10 arb; capillary temperature: 325 °C. Full MS scan was performed at a resolution of 70,000 with a scan range of m/z 100–1000. Higher-energy collisional dissociation (HCD) was used for MS/MS fragmentation with a collision energy of 30 eV. MS/MS scans were acquired at a resolution of 17,500. Fragmentation was performed on the top 3 ions per cycle, with dynamic exclusion enabled to avoid unnecessary repeated fragmentation of the same ions.</p>"],"metabolite_name":["Isoleucyl-Tyrosine","Gentamicin","alpha-hydroxysalmeterol","Dimethyl 2-oxoglutarate","Scutigeral","N1,N10-Dicoumaroylspermidine","Ectoine","Ethyl gallate","1,4'-Bipiperidine-1'-carboxylic acid","2-Keto-6-acetamidocaproate","6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acid","Methyl geranate","(25S)-26-Hydroxy-24-methylenecycloartan-3-one","Edelfosine","7-Chlorokynurenic acid","Methyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)","Citrulline","Erucoylacetone","(2S,3R)-2-Amino-4-octadecene-3-ol","Phenylalanylproline","2-Iminiopropanoate","Itopride","13'-Carboxy-alpha-tocotrienol","N-VINYL-2-PYRROLIDONE","Cervonyl carnitine","Methylimidazole acetaldehyde","PE(14_0_15_0)","Megastigmatrienone","N-Acetyl-D-tryptophan","3-Methoxybenzoic acid","Brassicasterol","Galanal A","LysoPC(15_0_0_0)","Prostaglandin E1","Methyl methanesulfonate","Docosatrienoate (22_3n3)","N2-Succinyl-L-ornithine","Pyrroline hydroxycarboxylic acid","Isoelemicin","4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-ol","Alanylleucine","Soyasaponin Ba","Trioxilin A3","Taurohyocholate","3-Hydroxy-11Z-octadecenoylcarnitine","MG(16_0_0_0_0_0)","Boldione","Sarmentosin","Glutathione","Phenylalanylserine","Glutamylisoleucine","Glutaminylproline","3,4-Dihydroxymandelaldehyde","Capsanthin","1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthalene","Glutamylcysteine","Fexofenadine","N2-Succinyl-L-glutamic acid 5-semialdehyde","4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-al","Avocadyne 2-acetate","Hexadecylamine","(-)-Thebaine","PC(18_1(11Z)_14_0)","1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate","(S)-2-Methylbutanal","Perillyl alcohol","Carbaryl","3-Hydroxy-4-phenylbutan-2-one","Oleamide","3-phosphoglycerate","4-Amino-5-hydroxymethyl-2-methylpyrimidine","5alpha-Cholestanol","Lidocaine","3-Hydroxydodecanedioic acid","N6-beta-Aspartyllysine","Methionyl-Proline","6-Benzylaminopurine","Hydroxyprolyl-Lysine","Cascarilladiene","7-Ketocholesterol","Isooctanedioldibutyrate","5-Hydroxyferulic acid","(2S,2'S)-Pyrosaccharopine","Benzocaine","3-Hydroxy-1-phenyl-1-heptadecanone","D-Urobilin","13-Docosenamide","D-Arabinose 5-phosphate","Hydroxylated lecithin","3,6-Epoxy-5,5',6,6'-tetrahydro-b,b-carotene-3',5,5',6'-tetrol","(8betaOH,10beta)-8-Hydroxy-3-oxo-7(11)-eremophilen-12,8-olide","Stigmasteryl glucoside","4-Methyl-1H-pyrrole-3-carboxamide","7-alpha-hydroxy-3-oxo-4-cholestenoate (7-HOCA)","Mupirocin","Hydroxyprolyl-Leucine","Niceritrol","3-Dehydroquinic acid","2,4-Quinolinediol","Hydroxy Desmethyl Bosentan","Anisole","Isoformononetin","17-phenyl-18,19,20-trinor-prostaglandin D2","1,3-Benzenediol","(E)-1-Propenyl 2-propenyl disulfide","Dihydroferuloylglycine","Glutamylproline","MG(0_0_16_0_0_0)","D-Glucose","Ikshusterol","17-Hydroxy-E4-neuroprostane","1,2-Dihydroxy-3-keto-5-methylthiopentene","Luteolin 7-gentiobioside","11-peroxy-5Z,8Z,12E,14Z-eicosatetraenoate","Cepanone","Coumaroylquinic acid","Contignasterol","Paramethadione","Dextromethorphan","1-Nitrosopiperazine","4-Methylbenzaldehyde","N-LAUROYLSARCOSINE","beta-Ionol","Perilla ketone","(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triol","Avocadyne","Glucosyl (E)-2,6-Dimethyl-2,5-heptadienoate","Muzanzagenin","Plumbagin","Ascorbyl stearate","Furanone A","Taurolithocholate","Isozeaxanthin","(+)-trans-Carveol glucoside","Indolin-2-one","Icaridin","9'-Carboxy-alpha-chromanol","Loliolide","L-beta-aspartyl-L-glutamic acid","2,6,6-Trimethyl-2-cyclohexene-1,4-dione","FA 20_3;O4","alpha-Tocopherol acetate","6-beta-hydrocortisol","1,4-Dihydronicotinamide adenine dinucleotide","Indolepyruvate","[6]-Dehydrogingerdione","Phytal","2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-one","Drospirenone","2-Methyl-6-phytylhydroquinone","Isoleucyl-Leucine","L-Lysine hydrochloride","Gaboxadol","3-Hydroxytetradecanedioic acid","Tacrolimus","2-Hydroxydecanedioic acid","alpha-Hydroxy-N-desmethyltamoxifen","5-Phenylvaleric acid","Chlorphenesin","L-Phosphoarginine","L-Prolyl-4-hydroxy-L-prolin","Betonicine","Dodecanamide","Daidzin","Docosa-4,7,10,13,16-pentaenoyl carnitine","Valylvaline","milbemycin alpha9","Afzelin","Hydantoin-5-propionic acid","FA 20_1","Clomipramine","3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic Acid","Auristatin E","4-(Glutamylamino) butanoate","N6-Carboxymethyllysine","Sphingosine","Alpha-ketobutyrate","2-(Dimethylamino)ethyl methacrylate","5-(10,13-Nonadecadienyl)-1,3-benzenediol","(E)-2-Tetracosenoic acid","ST 28_2;O","10-Hydroxymyoporone","12-Methyltridecanal","1-(13Z,16Z-docosadienoyl)-glycero-3-phosphate","1,2,3,5-Benzenetetrol","9,12,13-TriHOME","simvastatin hydroxy acid","N-Undecanoylglycine","(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[glucosyl-(1->6)-glucoside]","Diferuloylputrescine","N-Malonyltryptophan","Buprenorphine","(Z)-4-(1-Propenyl)phenol","FAL 15_0","Crithmumdiol","4-Ethyl-1,2-dimethoxybenzene","Retinyl beta-glucuronide","N-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate","N-Chloroacetyl-2,6-diethylaniline","Phenylacetaldehyde","1,28-Dicaffeoyloctacosanediol","D-Arabinose","Methsuximide","Mycorradicin","Hexadecanedioic acid mono-L-carnitine ester","N-Acetyl-4-O-acetylneuraminic acid","Umbelliferone","Prenyl glucoside","Malvidin 3-glucoside-4-vinylphenol","2,5-Heptadien-1-ol","2'-Aminoacetophenone","Hovenine A","Valylalanine","Guanine","Glycyrrhetinic acid","Octadecylamine","Hydroxyprolylhydroxyproline","Butylparaben","1-Methylnicotinamide","LysoPC(20_1(11Z)_0_0)","m-Tyramine","Butyl propionate","(R)-4A-(Ethoxymethyl)-1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinoline","Hydratopyrrhoxanthinol","Moreollin","Chloroacetic acid","Gancaonin I","2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-one","Protoporphyrinogen IX","5-Phenyl-1,3-pentadiyne","4,5-Dimethyl-2-heptyloxazole","3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronide","Safynol","9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester","Epilubimin","3,5-Dimethoxyphenol","8(R)-Hydroperoxylinoleic acid","Etidronic acid","Isoavocadienofuran","6-Hydroxydaidzein","3-Formyl-6-hydroxyindole","3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate","Methyl 1-propene-1-sulfenoselenoate","S-2-Propenyl propanethioate","Docosanamide","Pargyline","Daidzein 4'-sulfate","Gyromitrin","Aspartylhydroxyproline","(S)-11,12,13-Trinor-7-calamenone","Levonorgestrel","(E)-3-Heptenyl acetate","5-methylthioadenosine (MTA)","Fukiic acid","Glycocholic acid","Pipecolic acid","De-O-methyldihydrosterigmatocystin","Protopanaxadiol","Verimol D","2,3-Bis(3-hydroxybenzyl)butane-1,4-diol","Lapatinib","2-Ethylnitrobenzene","(1R,9S,10S)-17-[(3-Hydroxycyclobutyl)methyl]-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4,10-diol","(1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide","1-deoxy-L-glycero-tetrulose 4-phosphate","4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid","(R)-3-Hydroxy-Octadecanoic acid","6-Hydroxynicotinic acid","PC(18_2_20_4)","Isomorellic acid","(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol","3h-Sialic acid","Anandamide","Carnitine","Vulgarin","Lycodine","Machete","Octadecadienoylcarnitine","Tetradec-2-enal","1-Phenyl-2-pentanol","Ecgonine methyl ester","Carthamidin 6,7-diglucoside","Oxyallobetulin","Leucodopachrome","12-Oxo-2,3-dinor-10,15-phytodienoic acid","1,2,3,4-Tetrahydro-beta-carboline","1-Ethoxy-2-methoxy-4-(1-propenyl)benzene","androst-5-ene-3,17-dione","Chavicol O-beta-glucopyranoside","Diethyl phthalic acid","LysoPC(18_0_0_0)","Prolyl-Glutamine","Threonyltryptophan","Annoglabasin F","Riboflavin (Vitamin B2)","O-Desmethylangolensin","1-(2-Furanyl)-1-propanone","N,N-Dimethyloctadecylamine","Methyl linoleate","Carbimazole","Propylbenzene","Lysylleucine","L-beta-aspartyl-L-leucine","Acetyl tributyl citrate","N-Acetylasparagine","Biocytin","1-Methyluric acid","beta-Carotinal","2,7,4'-trihydroxyisoflavanone","Boceprevir","Glycohyocholic acid","Leucyl-Asparagine","D-Ribose","Avenoleic acid","Threonylhydroxyproline","Dihydroorotic acid","L,L-Cyclo(leucylprolyl)","2-Furancarboxaldehyde","(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediol","Heptanoylcarnitine","11-Oxooctadecanoic acid","Dihydromorphine","Methylisocitric acid","5b-Cyprinol sulfate","7-Chloro-3,3',4',5,6,8-hexamethoxyflavone","6-Cinnamoyl-1-galloylglucose","Monomethyl glutaric acid","Janthitrem C","Zalcitabine","Isoleucylproline","Retinol(Vitamin A)","24-Hydroxycalcitriol","2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizine","Coenzyme Q9","Creatine riboside","1,3,7,12-Tetrahydroxycholan-24-oic acid","alpha-Tocopherolquinone","Geranylacetone","Cep-1347","Tridecanoylglycine","Thioguanosine 5'-triphosphate","(E)-4,8-Dimethyl-1,3,7-nonatriene","Trimethobenzamide","5-Isothiocyanato-1-pentene","D8'-Merulinic acid C","3,5-Dichloro-2-hydroxybenzenesulfonic acid","Arlacel","D-Alanyl-D-alanine","Geranyl acetoacetate","Glandulone A","8-Amino-7-oxononanoic acid","2-Hexaprenyl-6-methoxyphenol","(3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one","4-Aminophenol","L-Leucine","Pyridoxal","Dimethyl ent-16alpha-kaurane-17,19-dioate","Arginylleucine","Menthyl ethylene glycol carbonate","2-DECENOL","Pyrraline","Leu-Leu-Leu","N-Acetyl-D-glucosamine","(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrol","Leukotriene E4","11(R)-HPETE","Calonectrin","Leucyl-Valine","Pent-2-enyl hexanoate","Ethyl butylacetylaminopropionate","xi-1-Ethoxy-1-hexyloxyethane","12alpha-hydroxy-3-oxo-5beta-cholan-24-oic Acid","(4Z,7Z,10Z,13Z)-15-{3-[(2Z)-Pent-2-en-1-yl]oxiran-2-yl}pentadeca-4,7,10,13-tetraenoylcarnitine","13-L-Hydroperoxylinoleic acid","1-Chloro-2-nitrobenzene","Ethyl pentyl ketone","11-Methylgerberinol","Loperamide","16-Hydroxy-10-oxohexadecanoic acid","N-Methylphenylethanolamine","PYRROLIDINE-2-CARBALDEHYDE","Ethyl icosapentate","ST 27_2;O2","Leukotriene D4","Calendic acid","N-Acetylglutamine","Pyroglutamylglycine","Homofureanol","Quinaldic acid","3-Ethyl-1,2-cyclopentanedione","Se-Methylselenocysteine","3-Phenylpropionic acid sulfate","2-Keto-glutaramic acid","10-nonadecenoate (19_1n9)","Monoethylhexyl phthalic acid","Methyl 2-aminobenzoate","Secoisolariciresinol","(4r,5s,6s,7r)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one","5-Heptyl-2-furanheptanoic acid","Dopamine","Aspartyl-Leucine","Oxoamide","8-HDoHE","(E)-2-Nonen-4-one","Presqualene diphosphate","13'-Carboxy-gamma-tocotrienol","4-Guanidinobutanoic acid","PS(15_0_15_0)","Prolylhydroxyproline","Cholesterol","Isopyridoxal","4-aminobenzoate","Testosterone","Pro-leu","VAPIPROST","Soyasapogenol B","Oleanolic aldehyde","delta-Tetradecalactone","Palmitoyl Serinol","4,8 Dimethylnonanoyl carnitine","E-10-Hydroxydesmethylnortriptyline","5alpha-cholesta-8,24-dien-3-one","Glycyrrhetol","L-Valine","3-Hydroxy-2H-pyran-2-one","Uracil","Iminoaspartic acid","Tryptamine","Cholest-5-ene","Allylisopropylacetamide","ST 27_0;O4","ST 27_0;O3","LysoPC(22_6_0_0)","Sinapic acid","L-Kynurenine","mono-Benzyl malonate","9-cis-Retinal","L-N-(3-Carboxypropyl)glutamine","Hydroxyprolyl-Serine","5-Aminolevulinic acid","Oxandrolone","Tricin","1-Phenyl-1,2-propanedione","4-Methyl-1-phenyl-2-pentanone","Lysylvaline","1,8-Epoxy-p-menthan-4-ol glucoside","LysoPE O-16_1","(2xi,4xi)-2,4-Nonadien-1-ol","Dihydrojasmonic acid","Laurocapram","Retapamulin","Bis(4-chlorophenyl)acetic acid","trans-2-Dodecenoylcarnitine","Glycyl-Isoleucine","methyl (9E,12Z)-octadeca-9,12-dienoate","Ananasic acid","3-Succinoylpyridine","Isothipendyl","Heptabarbital","R-1-Propenyl 1-propanesulfinothioate","N2,N2-Dimethylguanosine","2,3-Dehydrokievitol","12-Hydroxy-12-octadecanoylcarnitine","(R)-Myclobutanil","Turicine","1,2,5-Trimethyl-1H-pyrrole","4-Pyridoxolactone","Doramapimod","2-Hydroxyenterodiol","Glutaminylleucine","Carglumic acid","Margaroylglycine","Carvedilol","2-(Methylthio)propane","(E)-1-O-Cinnamoyl-beta-D-glucose","Galactopinitol A","Plastoquinone 3","Arginylaspartic acid","Hexyl phenylacetate","3-O-p-trans-Coumaroylalphitolic acid","Adrenic acid","Phenylalanylisoleucine","2-Methyl-2-phenyl-undecane","Kobusone","2-Oxovaleric acid","Digoxigenin","2-Ethyl-4,5-dimethylthiazole","Isopropyl nonanoate","3-Fumarylpyruvate","1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone","3-Phenylpropyl propanoate","Trimethylglycine","Foretinib","ST 24_4;O4","Quinolinic acid","2-Methyl-3-hydroxybutyric acid","Hyoscyamine","Deoxycarnitine","Zerumbone","Pyrrolidine-2-carboxamide","5-Hexyl-2-furanhexanoic acid","15(S)-HPETE","2-Methylhippuric acid","4,4-Dimethylcholesta-8,14,24-trienol","FA 7_3;O4","Azaspiracid 3","Geranyl hexanoate","Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate","ST 29_3;O","Eremopetasin sulfoxide","Germanicol cinnamate","O-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitine","xi-5-Hydroxydodecanoic acid","1-Hydroxy-2,12,15-heneicosatrien-4-one","Gentamicin C2","Beta-Leucine","Corchorifatty acid F","cis-3-Hexenyl acetate","10-Oxooctadecanoic acid","2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acid","Butyl butyrate","Myristoylglycine","Hydroxyprolyl-Arginine","[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate","Forchlorfenuron","delta-Tocotrienol","3,5-Dimethoxytoluene","4-Ethoxy-4-oxobut-2-enoic acid","16-Hydroxyhexadecanoic acid","N-Acetylgalactosamine 4-sulphate","Tetrahydrobiopterin","cis-5-Tetradecenoylcarnitine","20-Hydroxyeicosatetraenoic acid","Dimethyl fumarate","2,4-Diaminobutyric acid","Saccharopine","4-Hydroxycinnamic acid","4-Hydroxy-6-methyl-3-(1H-pyrazol-3-yl)-2H-pyran-2-one","PC-M5","3-Hydroxyquinine","beta-propiolactone","Isobutyl angelate","LysoPA(i-13_0_0_0)","Valyllysine","N-Demethyl Mifepristone","5,6-DHET","3-Methoxyphenylacetic acid","Ambonic acid","Glycerophospho-N-Arachidonoyl Ethanolamine","Valylhydroxyproline","(E)-2-(2-Octenyl)cyclopentanone","Humic acid","2-Octen-4-one","4-(Nitrosomethylidene)-1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridine","Glutarylcarnitine (C5-DC)","Platelet-activating factor","Cholesta-4,6-dien-3-one","(2,5-Dihydroxy-1H-pyrrol-3-yl) prop-2-enoate","LysoPC(16_0_0_0)","(9E)-10-nitrooctadecenoic Acid","octanoate","Phytonadiol","Micromeric acid","5-Geranyloxy-7-methoxycoumarin","keratan sulfate II (core 2-linked), degradation product 1","Bullatanocin","Stigmastanol","Paramethasone","Indoleacetic acid","Heme","Dihydro-3-(1-octenyl)-2,5-furandione","2-Heptyl-4,5-dimethylthiazole","3-Pyridylacetic acid","Ginsenoyne D","Frangulanine","N-Acetylhistidine","2-Keto-6-aminocaproate","1-Isothiocyanato-4-phenylbutane","Orciprenaline","Gamma-glutamyl-leucine","N-Acetylputrescine","2-Methoxy-5-methylpyrazine","Meprobamate","β-Muricholic acid","Piperundecalidine","Chlorazine","Pristanoylglycine","Asparagine","Coprocholic acid","3,4-Methyleneazelaic acid","Asparaginylhistidine","2,3-Dihydrobenzofuran","MG(18_1(9Z)_0_0_0_0)","Panaquinquecol 2","Capsidiol","5alpha-Androstane-3beta,17beta-diol","CXCR3 Antagonist 6c","Nicotinic acid","N-Acetylmuramate","4-Pentenoic acid","p-Xylene","4,6-Tricosanedione","7alpha,25-Dihydroxy-4-cholesten-3-one","epsilon-Tocopherol","Palmitoyl Ara-C","L-beta-aspartyl-L-glycine","trans, trans-3,5-Octadien-2-one","4-Amino-3-hydroxybutyrate","1-Hexen-3-ol","17beta-Estradiol 3-sulfate","Glutamylleucine","ST 29_3;O3","Phenylpropionylglycine","12,13-EpOME","Imetit","1-Hydroxyvitamin D5","4alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-ol","o-Tyrosine","20, 22-Dihydrodigoxigenin","LysoPC(18_3(6Z,9Z,12Z)_0_0)","2-Furoic acid","1-Pyrroline-2-carboxylic acid","Eremopetasinorone A","Palmitoylcarnitine","13'-Hydroxy-alpha-tocotrienol","Geranyl Phosphate","Licoriphenone","(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acid","Tetracosatetraenoic acid (24_4n-6)","Irbesartan","Tetracosapentaenoic acid (24_5n-3)","Glutaminylalanine","Protoporphyrin IX","Pyruvaldehyde","(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acid","Sarsasapogenin","L-Targinine","(R)-Equol","1-Phenylethyl acetate","2-Deoxybrassinolide","Ascladiol","Propiverine","Sibutramine","Dimyristoyl phosphatidylglycerol","Denaverine","Ganoderenic acid A","(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid","Camalexin","MG(18_3(9Z,12Z,15Z)_0_0_0_0)","Epsilon-caprolactam","1-Octadecanethiol","Triacontanal","Serylphenylalanine","31-nor-Lanost-8-en-3beta-ol","D-Ornithine","Ethoxyquin","Homomethionine","Metaxalone","4-Ethylresorcinol","2-Hydroxypropyl glucosinolate","11-HpODE","N-Acetyl-b-glucosaminylamine","Diisopropanolamine","(Z)-22-Hentriacontene-2,4-dione","N-Nitrosodibutylamine","Methyl 2-amino-3-(4-chlorophenyl)propanoate","Oleanderolide 3-acetate","5-Methyltricosanoylcarnitine","Pregnanetriol","2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid","5-Hydroxy-L-tryptophan","Estrone","3a,20b-Pregnanediol","Spinacoside D","(x)-1-Nonen-3-yl acetate","Oxyphencyclimine","alpha-Irone","Retrofractamide C","Sibopirdine","Glycerylphosphorylethanolamine","Stercobilinogen","Indican","2-Methyl-4-phenylbutyraldehyde","Alnespirone","Bufadienolide","Theasapogenol A","1,3,5-Trimethoxybenzene","2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol","3,6-Dimethyl-2(3H)-benzofuranone","Methyl 2-furoate","Aspartame","2-Phenylpropyl butyrate","5-Aminopentanamide","Rubinic acid","Feniculin","Methyl (2E,4Z)-decadienoate","Hexanoylglycine","Androstenol","(7E,10E,13E,16E)-3-Hydroxydocosa-7,10,13,16-tetraenoylcarnitine","Scoparone","24-Acetyl- 25-cinnamoylvulgaroside","Fucoxanthin","Hydroxyethyl myristyl oxyhydroxypropyl decanamide","Paxilline","indole-3-glycol","(R)-mandelic Acid","2-Methylbutyroylcarnitine","Cyclo-prolylglycine","3-Octen-2-one","Prostaglandin-c2","Ursolic acid","3-Hydroxyanthranilic acid","3-ureido-isobutyrate","2-Propenyl phenylacetate","Ethyl trans-p-methoxycinnamate","2-Butyl-4-methylphenol","Ethyl levulinate","2,5-Dimethylfuran","Valylserine","Panasenoside","Carbamic acid","Cinnamic acid","Succinobucol","4-Hydroxynornantenine","2-Methoxyestrone","2,2',3,4,4',5',6-Heptabromodiphenyl ether","Glutaric acid","(±)-2-Methylthiazolidine","L-beta-aspartyl-L-alanine","2,3-Epoxyphylloquinone","5-Heptyl-3,4-dimethyl-2-furanheptanoic acid","Ursodeoxycholate","Ascorbic acid 2-sulfate","Moupinamide","Asticolorin C","Coniferan","Lucidadiol","N-Acetylcadaverine","Argininosuccinic acid disodium","Isoferulic acid","Dodecanedioylcarnitine","(Z)-5-Hexadecenoic acid","Isoetharine","Linatine","Aspartyl-Tyrosine","Ethyl Arachidonate","5-Ethyl-3,4-dimethyl-2-furanundecanoic acid","Benzo[a]pyrene-9,10-oxide","Portulacaxanthin II","Butorphanol","Vitamin D3","Aminocarb","3,5,5-Trimethyl-1,2-cyclohexanedione","Diethylphosphate","xi-Dihydro-5-octyl-2(3H)-furanone","2-Ethyl-5-methyl-3,3-diphenyl-1-pyrroline","Guanosine","PC(14_1(9Z)_22_1(13Z))","Pumiliotoxin A","Cassiastearoptene","2,4-Hexadienyl acetate","gamma-Glutamylisoleucine","1-Palmitoylphosphatidylcholine","3,4-Dimethoxybenzaldehyde","Benzyl hexanoate","Urobilinogen","Peonidin 3-rhamnoside 5-glucoside","1,2-Ethanediol monoricinoleate","7-Ethyl-10-hydroxycamptothecin","13-Heptadecyn-1-ol","Tetradecanol","Avenestergenin B2","Tetradecanoylcarnitine","Prostaglandin F2alpha","Polyporusterone E","4-Hydroxy-3-polyprenylbenzoate","3-Carbamoyl-2-phenylpropionaldehyde","Curzerenone","Pristanal","Biliverdin","4-Hydroxy-1-(3-pyridinyl)-1-butanone","Alanylphenylalanine","cis-Quinceoxepane","N,N-Dimethylsphingosine","2-Aminoisobutyric acid","2-Indolecarboxylic acid","Amifostine","Homocitric acid","15,16-Epoxy-9,12-octadecadienoic acid","trans-trans-Muconic acid","Stearoylglycine","beta-Micropteroxanthin","10-Apo-beta-carotenal","L-argininium(1+)","2-Ethoxy-1-methoxy-4-(1-propenyl)benzene","Dicyclohexyl phthalate","1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-","4-Hydroxyphenylacetaldehyde","Mesna","2,3-Epoxymenaquinone","delta-Amorphene","D-Threitol","N-Acetylthreonine","Indole-3-carbinol","(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid","2,4-Diamino-6-nitrotoluene","N-acetyl-aspartyl-glutamate (NAAG)","Ethyl (2E,4E,7Z)-Decatrienoate","gamma-Glutamylproline","Sakacin P","4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone","Ethyl apovincaminate","Nummularine A","(2-trans-6-trans)-farnesoate","L-Menthyl acetoacetate","Methyl-delta-ionone","Diethanolamine","Cerulenin","Caffeylaldehyde","4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol","Histidylhydroxyproline","Exaltolide","Z-Leu-Leu-Norvalinal","Propoxur","L-Glutamic gamma-semialdehyde","Suberylglycine","Apigenin 7-sulfate","Tetracosahexaenoic acid, n-3","12,13-DiHOME","Levomethadyl Acetate","2-Hexadecanone","Carboxy methyl lysine","4-Amino-5-oxopentanamide","Myrsinone","Tyromycic acid","Undecaprenyl diphosphate","1-Methylpyrrolidine-2-carboxylic acid","Bergenin Pentaacetate","Gibberellin A81","2,4-Undecadienal","Phenylalanylphenylalanine","Malonylglycine","triterpenoids","Clitocine","Biotin sulfoxide","Drotaverine","Glycylproline","4-Nitrotoluene","(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediol","Dihydro-4,4-dimethyl-2(3H)-furanone","Avocadene 1-acetate","Phloretin","Spermidine","Artesunate","Enprofylline","Dimethyl trisulfide","3-Dehydrocarnitine","2-Aminonaphthalene","Asparagoside A","Phenylalanylvaline","3'-Geranyl-2',4,4',6'-tetrahydroxychalcone","N-Linoleoyl Proline","D-Erythro-imidazole-glycerol-phosphate","Dropropizine","3-Oxalomalic acid","ST 28_2;O2","xi-gamma-Undecalactone","5-Methyl-3-thiophenethiol","(7Z,10Z)-Hexadecadienoylcarnitine","(+)-Dehydrovomifoliol","5alpha-Pregnan-3beta,20beta-diol 20-sulfate","Aspartylphenylalanine","cis-3-Decene","N-Formyl-L-aspartate","beta-D-Glucopyranosyl-11-hydroxyjasmonic acid","4-Aminobenzoic acid","TRIETHYL PHOSPHATE","furaneol (keto form)","(5Z,8Z)-Pentadeca-5,8-dienoylcarnitine","Metanephrine","Kenposide B","N(6)-Methyllysine","3-Methoxybenzenepropanoic acid","Homolanthionine","(Z)-Tamarindienal","Karion","2-[6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid","3b,7a,12a-Trihydroxy-5b-cholanoic acid","Demethoxyshogaol","N-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycine","Octadecanamide","Piperine","PC(16_0_18_1(9Z))","Benzimidazole","Norpandamarilactonine A","Ambamustine","M2 di-hydroxylated metabolite","ST 21_2;O4","2-hydroxyphytanic acid","Amifloxacin","Astromicin","Creatinine","2,5-Dichloro-4-oxohex-2-enedioate","4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediol","Proxyphylline","Albafuran A","Emodin","Sodium lactate","kaempferol 3-rhamnoside-7-glucoside","Octahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one","2-Phenylacetamide","11,12,15-THETA","Stachydrine","xi-4-Hydroxy-4-methyl-2-cyclohexen-1-one","Rupatadine","Dopamine quinone","LysoPC(18_2_0_0)","corymboside","7a,12a-Dihydroxy-5a-cholestan-3-one","4-phenylbutanic acid-O-sulphate","Hexaethylene glycol","Histidinal","3-hydroxypristanic acid","3-Hydroxyicos-11-enoylcarnitine","6-Isothiocyanato-1-hexene","Ceanothenic acid","Naxagolide","7-ketolithocholic acid","Cortisol","Isobutyl isothiocyanate","Pregabalin","Retinyl acetate","Gamma-Glutamylmethionine","(3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triol","Glycerophosphoric acid","4-Chloro-3,5-dimethoxybenzyl alcohol","2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one","3-Butylidene-1(3H)-isobenzofuranone","Jasmonic acid","isopentenyl adenosine","Lotaustralin","2,4-Nonadienal","Floionolic acid","Isotectorigenin 4'-glucoside 7-rhamnoside","Cytidine","Arginylasparagine","beta-Cryptoxanthin","Isogermafurene","Melleolide F","Tryptophol","Mesobilirubinogen","L-Lysine","Mangiferonic acid","1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine","Androstanedione","alpha-Methylene-gamma-butyrolactone","2,3-Dipalmitoyl-S-glycerylcysteine","5-Butyl-3,4-dimethyl-2-furannonanoic acid","7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoylcarnitine","trans-2-Hexenedioic acid","Dihydro-5-pentyl-2(3H)-furanone","2-Heptadecanone","Dodecanoic acid","Genipin","Ethyl 2-aminobenzoate","Octylamine","Gamma-glutamylglutamate","(+)-Sesamin","Sphinganine","S-(Allylthio)-L-cysteine","gamma-Glutamylaspartic acid","2-linoleoyl-sn-glycero-3-phosphocholine","Trioxsalen","3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol","1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediol","Phenylmethyl butanoate","Artemisyl propionate","Goyaglycoside a","3-Hydroxy-L-proline","PE(P-18_0_22_6(4Z,7Z,10Z,13Z,16Z,19Z))","1-Pyrrolidinecarboxaldehyde","Dimethyl maleate","Delta-Tocopherol","Citropten","Azetidine-1-carboxylic acid","Oleoylethanolamide","3-Pentadecylphenol","Hyodeoxycholic acid","Clupanodonyl carnitine","LysoPC(16_1(9Z)_0_0)","Asi-222","8-iso-13,14-dihydro-15-keto-PGF2a","3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide","5-(3-Pyridyl)-2-hydroxytetrahydrofuran","Digeranyl","FAL 16_1","2-Exo-hydroxy-1,8-cineole","13-Oxo-9,11-tridecadienoic acid","N-Carbamoylputrescine","1-Hydroxyisoquinoline","Oxybutynin","Valylglutamic acid","Isonicotinic acid","Stenocereol","2,3-Dimethylbut-2-enedioic acid","(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acid","Glutamyltyrosine","Rubitic acid","3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol","2-Benzyl-4,5-dimethyl-1,3-dioxolane","13'-Hydroxy-gamma-tocotrienol","L-Lysopine","4-Hydroxy-2-butenoic acid gamma-lactone","Sparfloxacin","Cyperotundone","Ajmaline","N-Acetylprocainamide","2-Methylpropyl 3-oxobutanoate","4-Ethyl-2-methyloxazole","Isofucosterol","1,2-Benzoquinone","2,8-Quinolinediol","Dolichosterone","Palmitoylethanolamide","Esmolol","Phytol","Barbituric acid","Sinapine","Deisopropylatrazine","3,4-Dihydroxyphenylacetone","Tyrosol","Nalbuphine","Prolyl-Cysteine","Linalyl caprylate","Ne,Ne dimethyllysine","Isoleucyl-Isoleucine","Gemfibrozil","Styrene","Isobutyl 10-undecenoate","3,4-Dihydroxytetradecanoylcarnitine","2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline","L-Pyridosine","Pokeberrygenin","LysoPC(0_0_18_0)","L-Histidinol","Lecithin","D-N-(Carboxyacetyl)alanine","Gabapentin","Coproporphyrinogen III","Pinostrobin 5-glucoside","Cuscohygrine","Dopexamine","Glutaral","Carvyl propionate","Leucyl-Glycine","Peonidin 3-rutinoside","Asparaginyl-Gamma-glutamate","Octadeca-6,9,12-trienoic acid","(3beta,5alpha,9alpha,22E,24R)-5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-one","peiminine","Linoleamide","3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid","N-Desmethyltamoxifen","4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol","3-Methylcrotonylglycine","Solacauline","Meta-Tyrosine","3beta-hydroxy-5-cholestenoate","Tetracaine","Isopropylmaleic acid","Salsolinol","Diaminopimelic acid","4-Acetoxy-2-hexyltetrahydrofuran","(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol","4-Hydroxyphenytoin glucuronide","(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]","Hydroxyprolyl-Proline","(E)-3-Heptenyl 2-methylpropanoate","Aloin","N-Ethyl trans-2-cis-6-nonadienamide","5-Hydroxymethyl-2-furancarboxaldehyde","Leucylproline","Valylisoleucine","N-Acetylmannosamine","(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol","Benzyl formate","Farnesylcysteine","Pipericine","1-Piperideine-2-carboxylic acid","N-Acetylserotonin","4-Acetamidobutanoate","4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate","Didodecyl thiobispropanoate","Glycylglycine","Aminocaproic acid","Cortol","8(S)-HPETE","Mimosine","Dhelwangin","(+)-Myrtenyl formate","Pentadecylamine","Gibberellin A39","(S)-9-Hydroxy-10-undecenoic acid","1-Naphthyl isocyanate","28-Hydroxymangiferonic acid","1-linoleoylglycerol (18_2)","1,3,6-Trihydroxy-5-methoxyxanthone","10'-Apo-beta-carotenal","9,10-Dihydroxystearic acid","Hexylbenzene","3-Oxooctadecanoic acid","(all-Z)-8,11,14-Heptadecatrienal","4-(4-hydroxy-3,5-dimethoxyphenyl)-3-buten-2-one","Demethylzeylasteral","Quinine","Gibberellin A51","Ceanothine E","Quercetin 3-xylosyl-(1->6)-glucoside","11-Keto-beta-boswellic acid","N-acetylglucosamine_N-acetylgalactosamine","(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one","7,8-diaminopelargonate","Stanozolol","9-Hexadecenoylcarnitine","ST 29_2;O","Phenyllactic acid","(4Z,7Z,10S,11E)-10-Hydroperoxy-12-[(1R,4S,5S,6R)-6-[(2Z)-pent-2-en-1-yl]-2,3-dioxabicyclo[2.2.1]heptan-5-yl]dodeca-4,7,11-trienoylcarnitine","L-Arginine","Betaxolol","3-Phenylpropyl cinnamate","Phenacemide","Tanakine","13,14-Dihydroprostaglandin F2alpha","N8-Acetylspermidine","Docosahexaenoyl Ethanolamide","Methocarbamol","LysoPC(17_0_0_0)","Liquiritigenin","Lycoperoside D","N-Succinyl-L,L-2,6-diaminopimelate","2',4'-Dihydroxy-6'-methoxyacetophenone","5-Hydroxyindole","Ophthalmic acid","N-(4-(2-(2,3-Dihydrobenzo(b)furan-7-carboxamido)ethyl)benzenesulfonyl)-N'-cyclohexylurea","Valylthreonine","5(S)-Hydroperoxyeicosatetraenoic acid","Linuron","o-Aminoazotoluene","Cyanidin 3-(6'-p-coumarylsambubioside)","Octaethyleneglycol monododecyl ether","Cavipetin C","2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-ene","Bis(2-ethylhexyl) phthalate","Octaprenyl diphosphate","trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene","2-Chloro-1-(chloromethyl)ethyl carbamate","3-(4-hydroxyphenyl)lactate","Alanylasparagine","Cystophorene","(14Z)-Tricos-14-enoylcarnitine","2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine","Pentadecanoylglycine","6-Phenyl-3-hexen-2-one","Isohyodeoxycholic acid","Kanzonol K","Lumichrome","PC(16_0_20_4(5Z,8Z,11Z,14Z))","1-[(5-Methyl-2-furanyl)methyl]pyrrolidine","Finasteride","5-[[2-[(2-Benzyl-3-tert-butylsulfonylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide","1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one","Benzyl trans-2-methyl-2-butenoate","3-Hydroxy-4-aminopyridine","Butanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-","Methadone","m-Toluamide","Cholic acid","trans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-one","Nitroglycerin","N-Oleoyl Glycine","1,2-Cyclohexanedione","3-[(3-Methylbutyl)nitrosoamino]-2-butanone","Vitamin A2 aldehyde","3,N(4)-Ethenodeoxycytidine","2-Aminoacrylic acid","Serylproline","10-Hydroxymelleolide","N-(1-Deoxy-1-fructosyl)leucine","Caffeine","5-(14-Nonadecenyl)-1,3-benzenediol","2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalcone","Alliin","Threonylisoleucine","N-Acetylproline","N-Palmitoyl Serine","Soyasaponin I","Gamma-Linolenic acid","Cucurbitacin D","Arbutin","Valproic acid","gamma-Glutamylcysteine","Tryptophyl-Isoleucine","3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one","1,1-Dimethoxy-2-phenylethane","6,8-Tricosanedione","L-Methionine","alpha-CEHC","4-hydroxymidazolam","Triprolidine","N-Acetylhistamine","Remoxipride","Sphinganine 1-phosphate","delta-24-25-sitosterol","Tetrahydrodeoxycorticosterone","12,20-Dioxo-leukotriene B4","L-4-Hydroxyglutamate semialdehyde","2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol","7-Ketodeoxycholic acid","CAR 2_0","L-Homocysteine sulfonic acid","5-(2-Hydroxyethyl)-4-methylthiazole","Leucyl-leucine","Papa nonoate","5-Amino-2-oxopentanoic acid","6-Hydroxymelatonin","17a-Hydroxypregnenolone","Apigenin","4-Hepteneoylglycine","Isopropyl 2-methylbutanoate","4-[2-[(E)-Octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-4-oxobutanoic acid","(+)-Camphor","N-Acetyl-9-O-acetylneuraminic acid","Unshuoside A","Gacyclidine","Succinylacetone","Ergosterol","N-Acetyl-3-methylhistidine","Scopolamine","FA 16_1","Ascorbyl palmitate","(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile","Androsterone","2-(1-Mercaptoethyl)furan","Lansioside B","12-Oxo-20-carboxy-leukotriene B4","1-Hydroxyphenanthrene","2,4-Diisopropyl-5-methylphenol","Deoxyguanosine","Ovalicin","Quinic acid","(4-Aminobutyl)guanidine","(2E)-Decenoyl-ACP","2-Hydroxy-6-pentadecylbenzoic acid","2-(2-Methylpropyl)pyridine","Ethyl methanesulfonate","cis-2-Methylaconitate","13,14-Dihydro-15-oxo-lipoxin A4","Chondrillasterol 3-[glucosyl-(1->4)-glucoside]","Demethylphylloquinone","Dibutyl phthalate","11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid","Tranexamic Acid","ST 30_3;O2","Amrinone","Orotic acid","Asparaginamide","Ipomeatetrahydrofuran","Marmelolactone A","2-Piperidinone","Methyl(acetoxymethyl)nitrosamine","Foeniculoside VIII","Alanylproline","12-HETE","Enterocin 900","Clarycet","Mandelic acid","Lathosterol","Methyl jasmonate","O-(17-Carboxyheptadecanoyl)carnitine","Miltefosine","1-Pyrroline-5-carboxylic acid","LysoPC(22_5_0_0)","Prolyl-Alanine","Trimethylpyrazine","9,10,13-Trihydroxystearic acid","4,8-Diacetyl-T2-tetrol","24,25-Dihydroxyvitamin D","24,25,26,27-Tetranor-23-oxo-hydroxyvitamin D3","(16R,17R)-3-Cyclopentyloxy-17-ethynyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-16,17-diol","Acidissiminin","6-(2-Hydroxyethoxy)-6-oxohexanoic acid","4-Hydroxysphinganine","Prolyl-Threonine","p-Hydroxyfelbamate","Soyasaponin III","Seryltyrosine","Threonylphenylalanine","12-hydroxyheptadecanoic acid","3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone","(Z)-13-Octadecenoic acid","1-Isothiocyanatobutane","2-Aminobenzoic acid","N1-Methyl-4-pyridone-3-carboxamide","Chrysophanol","P,P-Dioctyldiphenylamine","Spirolide D","4-Chloro-L-phenylalanine","FA 18_2","FA 18_1","Phosphocreatine","2-Hydroxy-2-ethylsuccinic acid","Valylproline","Chrysin","1-Benzazepine","2-Methylpropyl 3-hydroxy-2-methylidenebutanoate","Norvaline","3-Oxohexadecanoic acid","Tamoxifen N-oxide","Biopterin","Bullatin","Pentacosanoylglycine","Histidylleucine"],"additional_accession":[]},"is_claimable":false,"name":"Dietary hispidulin ameliorated chemically-Induced colitis by inhibiting epithelial cell ferroptosis via the ACAT2-GPX4 axis and remodeling the gut microbiota","description":"<p>Hispidulin, a dietary flavonoid occurring naturally in brown algae, has attracted considerable interest owing to its functions in modulating inflammatory responses and neutralizing reactive oxygen species. This study examined the consequences of hispidulin in a model of chemically induced acute colitis. RNA sequencing (RNA_seq), 16s rRNA_seq, and non-targeted metabolome were conducted to determine the mechanisms underlying hispidulin-induced effects on colitis. The findings revealed that hispidulin exhibited significant therapeutic benefits against colitis. In addition, treatment with hispidulin led to a decrease in pro-inflammatory cytokine levels as well as serum FITC-dextran concentrations. RNA_seq analysis demonstrated a notable increase in colonic ACAT2 expression in mice with colitis following hispidulin treatment. Furthermore, hispidulin administration resulted in the upregulation of GPX4, a reduction in ROS levels, and inhibition of epithelial ferroptosis in mice with colitis. Both genetic inhibition of ACAT2 in vitro and AAV-mediated knockdown of ACAT2 in vivo substantially negated the effects of hispidulin on GPX4/GSH levels, ROS levels, and lipid hydroperoxide accumulation in both NCM460 cells and epithelial cells derived from DSS exposed murine models. 16s rRNA_seq results showed that hispidulin increased abundance of Lactobacillus, NK4A136_group, Oscillibacter, Peptococcus, Adlercreutzia and decreased abundance of Turicimonas in colitic mice. Non-targeted metabolome results showed that hispidulin facilitated the metabolism of galactose and promoted unsaturated fatty acid biosynthesis in colitic mice. In summary, hispidulin reduced the advancement of acute colitis in mice by lessening ACAT2-mediated ferroptosis in epithelial cells, as well as altering composition of gut microbiota.</p>","dates":{"publication":"2025-08-05","submission":"2025-08-05"},"accession":"MTBLS12818","cross_references":{"HMDB":["HMDB0001999","HMDB0000273","HMDB0000447","HMDB0006940","HMDB0000174","HMDB0003559","HMDB0002103","HMDB0003254","HMDB0037319","HMDB0248144","HMDB0000247","HMDB0002752","HMDB0034105","HMDB0000944","HMDB0002183","HMDB0001879","HMDB0004667","HMDB0001381","HMDB0304071","HMDB0000220","HMDB0004086","HMDB0134890","HMDB0012958","HMDB0002925","HMDB0060289","HMDB0006893","HMDB0000653","HMDB0000686","HMDB0000626","HMDB0062297","HMDB0015310","HMDB0037798","HMDB0303771","HMDB0000672","HMDB0000400","HMDB0000995","HMDB0040828","HMDB0000271","HMDB0000314","HMDB0037066","HMDB0000673","HMDB0247617","HMDB0134009","HMDB0005808","HMDB0000872","HMDB0003229","HMDB0005800","HMDB0301803","HMDB0001337","HMDB0003320","HMDB0005830","HMDB0031057","HMDB0006760","HMDB0039329","HMDB0242127","HMDB0034219","HMDB0030847","HMDB0001043","HMDB0246025","HMDB0006755","HMDB0000782","HMDB0301805","HMDB0004369","HMDB0001830","HMDB0000512","HMDB0001388","HMDB0000210","HMDB0000623","HMDB0000682","HMDB0000230","HMDB0000806","HMDB0059747","HMDB0003876","HMDB00259","HMDB0132457","HMDB0240261","HMDB0001051","HMDB0001492","HMDB0004704","HMDB0304048","HMDB0013713","HMDB0001016","HMDB0001250","HMDB0035761","HMDB0011756","HMDB0035417","HMDB0000506","HMDB0012915","HMDB0304170","HMDB0000784","HMDB0030326","HMDB0036634","HMDB0060398","HMDB0302963","HMDB0062189","HMDB0007853","HMDB0029415","HMDB0304061","HMDB0001138","HMDB0000159","HMDB0014822","HMDB0258742","HMDB0000881","HMDB0000296","HMDB0001107","HMDB0004586","HMDB0002199","HMDB0000225","HMDB0000827","HMDB0003040","HMDB0000929","HMDB0002641","HMDB0000822","HMDB0011635","HMDB0000671","HMDB0000529","HMDB0004243","HMDB0037326","HMDB0000761","HMDB0011667","HMDB0000943","HMDB0000017","HMDB0000715","HMDB0000742","HMDB0000328","HMDB0000718","HMDB0006954","HMDB0259297","HMDB0000130","HMDB0000107","HMDB0000625","HMDB0000714","HMDB0004291","HMDB0003357","HMDB0061933","HMDB0244120","HMDB0003470","HMDB0006355","HMDB0060015","HMDB0255105","HMDB0000933","HMDB0000954","HMDB0000094","HMDB0304393","HMDB0000072","HMDB0035514","HMDB0000016","HMDB0000118","HMDB0000195","HMDB0000867","HMDB0000978","HMDB0013898","HMDB0000157","HMDB03331","HMDB0002712","HMDB0002656","HMDB0000854","HMDB0015129","HMDB0033988","HMDB0000289","HMDB0029757","HMDB0002127","HMDB0000177","HMDB0011105","HMDB0060104","HMDB0000206","HMDB0304942","HMDB0001220","HMDB0001856","HMDB0000792","HMDB0041950","HMDB0003417","HMDB0000462","HMDB0006293","HMDB0000996","HMDB0302085","HMDB0060328","HMDB0000143","HMDB0000375","HMDB0000896","HMDB0029433","HMDB0003012","HMDB0258590","HMDB0029423","HMDB0304943","HMDB0001385","HMDB0000267","HMDB0000205","HMDB0000208","HMDB0000239","HMDB0000641","HMDB0012175","HMDB0000764","HMDB0000148","HMDB0000510","HMDB0001014","HMDB0034172","HMDB0245260","HMDB0001232","HMDB0004825","HMDB0000892","HMDB0003903","HMDB0034168","HMDB0004029","HMDB0000500","HMDB0000167","HMDB0000725","HMDB0015186","HMDB0029941","HMDB0000301","HMDB0032012","HMDB0060422","HMDB0000038","HMDB0015490","HMDB0001895","HMDB0000292","HMDB0000469","HMDB0060461","HMDB0000064","HMDB0000321","HMDB0000191","HMDB0000156","HMDB0005038","HMDB0002755","HMDB0000251","HMDB0012249","HMDB0029737","HMDB0060476","HMDB0005175","HMDB0041609","HMDB0000730","HMDB0000034","HMDB0001587","HMDB0000037","HMDB0000162","HMDB0034171","HMDB0000134","HMDB0002092","HMDB0036626","HMDB0059655","HMDB0001087","HMDB0240263","HMDB0000112","HMDB0000729","HMDB0062190","HMDB0037316","HMDB0060410","HMDB0000139","HMDB0012233","HMDB0034081","HMDB0000746","HMDB0036458","HMDB0015167","HMDB0000254","HMDB0013679","HMDB0002024","HMDB0000691","HMDB0061112","HMDB0013233","HMDB0041553","HMDB0000624","HMDB0001229","HMDB0000319","HMDB0001886","HMDB0011718","HMDB0003426","HMDB0000926","HMDB0034213","HMDB0254198","HMDB0141782","HMDB0059612","HMDB0012882","HMDB0000695","HMDB0004812","HMDB0032764","HMDB0003355","HMDB0041527","HMDB0000407","HMDB0001310","HMDB0036059","HMDB0006535","HMDB0005783","HMDB0006101","HMDB0032702","HMDB0094710","HMDB0245832","HMDB0028940","HMDB0000801","HMDB0014334","HMDB0005014","HMDB0007004","HMDB0242725","HMDB0062325","HMDB0260139","HMDB0240594","HMDB0140929","HMDB0002259","HMDB0031752","HMDB0039631","HMDB0029913","HMDB0036901","HMDB0002710","HMDB0001403","HMDB0259393","HMDB0040867","HMDB0001160","HMDB0002231","HMDB0243650","HMDB0061088","HMDB0037253","HMDB0034518","HMDB0248777","HMDB0000826","HMDB0246131","HMDB0010386","HMDB0006327","HMDB0255284","HMDB0032498","HMDB0039487","HMDB0000772","HMDB0035782","HMDB0032559","HMDB0033905","HMDB0060622","HMDB0302379","HMDB0036827","HMDB0002326","HMDB0015537","HMDB0004620","HMDB0240518","HMDB0059915","HMDB0037479","HMDB0006472","HMDB0029646","HMDB0041748","HMDB0010730","HMDB0011179","HMDB0000821","HMDB0011130","HMDB0257897","HMDB0002003","HMDB0000423","HMDB0013025","HMDB0245688","HMDB0000030","HMDB0000884","HMDB0242382","HMDB0010213"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