MetaboLights

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ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/m_MTBLS12818_LC-MS_positive_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/m_MTBLS12818_LC-MS_negative_reverse-phase_metabolite_profiling_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/a_MTBLS12818_LC-MS_positive_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/a_MTBLS12818_LC-MS_negative_reverse-phase_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/s_MTBLS12818.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC7.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS6.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS8.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_FUC5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS4.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/pos_DSS3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_FUC5.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818/FILES/neg_DSS4.rawprimaryOK200ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS12818Metabolite 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.MetaboLightsPublicLiquid Chromatography MS - negative - reverse phaseLiquid Chromatography MS - positive - reverse phase1)Instrument: Thermo Vanquish, Thermo Fisher Scientific, USA, ultra-high performance liquid chromatography system.2)Column: ACQUITY UPLC® HSS T3, 1.8 µm, 2.1 × 100 mm (Waters, Milford, MA, USA).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.4)Gradient elution program: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 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% B3Dietary hispidulin ameliorated chemically-Induced colitis by inhibiting epithelial cell ferroptosis via the ACAT2-GPX4 axis and remodeling the gut microbiota.nondan yangintestinemass spectrometry1)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.2)Add steel beads and place the tube into a tissue grinder. Grind at 50 Hz for 120 seconds.3)Ultrasonicate at room temperature for 10 minutes.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.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;  if 20 or fewer samples are tested, QC injections will not be arranged.6)Use the remaining samples for LC-MS detection.Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS12818Yongjian Xiong. The First Affiliated Hospital of Dalian Medical University. 222 Zhongshan Road, Xigang District, Dalian, Liaoning, China. private007@126.com.1)Converting the raw mass spectrometry data files to mzXML format using the MSConvert tool from the ProteoWizard software package.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'.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.4)To enable comparison across different data scales, total peak area normalization (Sum peak normalization) is applied for quantitative value correction.Treatment3105436963@qq.comThe samples were mouse (C57) fecal samples. The DSS model group (DSS group) and the DSS administration group (FUC 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.MetabolomicsMus musculusuntargeted metabolitesFecesMus musculusuntargeted metabolitesFeces1)Instrument: Thermo Q Exactive Focus mass spectrometer, Thermo Fisher Scientific, USA.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.Isoleucyl-TyrosineGentamicinalpha-hydroxysalmeterolDimethyl 2-oxoglutarateScutigeralN1,N10-DicoumaroylspermidineEctoineEthyl gallate1,4'-Bipiperidine-1'-carboxylic acid2-Keto-6-acetamidocaproate6,8-Dihydroxy-1,7-diprenylxanthone-2-carboxylic acidMethyl geranate(25S)-26-Hydroxy-24-methylenecycloartan-3-oneEdelfosine7-Chlorokynurenic acidMethyl cis-p-coumarate 3-(3,7-dimethyl-2,6-octadienyl)CitrullineErucoylacetone(2S,3R)-2-Amino-4-octadecene-3-olPhenylalanylproline2-IminiopropanoateItopride13'-Carboxy-alpha-tocotrienolN-VINYL-2-PYRROLIDONECervonyl carnitineMethylimidazole acetaldehydePE(14_0_15_0)MegastigmatrienoneN-Acetyl-D-tryptophan3-Methoxybenzoic acidBrassicasterolGalanal ALysoPC(15_0_0_0)Prostaglandin E1Methyl methanesulfonateDocosatrienoate (22_3n3)N2-Succinyl-L-ornithinePyrroline hydroxycarboxylic acidIsoelemicin4α-formyl-4β-methyl-5α-cholesta-8,24-dien-3β-olAlanylleucineSoyasaponin BaTrioxilin A3Taurohyocholate3-Hydroxy-11Z-octadecenoylcarnitineMG(16_0_0_0_0_0)BoldioneSarmentosinGlutathionePhenylalanylserineGlutamylisoleucineGlutaminylproline3,4-DihydroxymandelaldehydeCapsanthin1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthaleneGlutamylcysteineFexofenadineN2-Succinyl-L-glutamic acid 5-semialdehyde4-Ethyl-7,11-dimethyldodeca-trans-2-trans-6-1-o-trien-1-alAvocadyne 2-acetateHexadecylamine(-)-ThebainePC(18_1(11Z)_14_0)1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate(S)-2-MethylbutanalPerillyl alcoholCarbaryl3-Hydroxy-4-phenylbutan-2-oneOleamide3-phosphoglycerate4-Amino-5-hydroxymethyl-2-methylpyrimidine5alpha-CholestanolLidocaine3-Hydroxydodecanedioic acidN6-beta-AspartyllysineMethionyl-Proline6-BenzylaminopurineHydroxyprolyl-LysineCascarilladiene7-KetocholesterolIsooctanedioldibutyrate5-Hydroxyferulic acid(2S,2'S)-PyrosaccharopineBenzocaine3-Hydroxy-1-phenyl-1-heptadecanoneD-Urobilin13-DocosenamideD-Arabinose 5-phosphateHydroxylated lecithin3,6-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-olideStigmasteryl glucoside4-Methyl-1H-pyrrole-3-carboxamide7-alpha-hydroxy-3-oxo-4-cholestenoate (7-HOCA)MupirocinHydroxyprolyl-LeucineNiceritrol3-Dehydroquinic acid2,4-QuinolinediolHydroxy Desmethyl BosentanAnisoleIsoformononetin17-phenyl-18,19,20-trinor-prostaglandin D21,3-Benzenediol(E)-1-Propenyl 2-propenyl disulfideDihydroferuloylglycineGlutamylprolineMG(0_0_16_0_0_0)D-GlucoseIkshusterol17-Hydroxy-E4-neuroprostane1,2-Dihydroxy-3-keto-5-methylthiopenteneLuteolin 7-gentiobioside11-peroxy-5Z,8Z,12E,14Z-eicosatetraenoateCepanoneCoumaroylquinic acidContignasterolParamethadioneDextromethorphan1-Nitrosopiperazine4-MethylbenzaldehydeN-LAUROYLSARCOSINEbeta-IonolPerilla ketone(3beta,5alpha,6beta,22E,24R)-23-Methylergosta-7,22-diene-3,5,6-triolAvocadyneGlucosyl (E)-2,6-Dimethyl-2,5-heptadienoateMuzanzageninPlumbaginAscorbyl stearateFuranone ATaurolithocholateIsozeaxanthin(+)-trans-Carveol glucosideIndolin-2-oneIcaridin9'-Carboxy-alpha-chromanolLoliolideL-beta-aspartyl-L-glutamic acid2,6,6-Trimethyl-2-cyclohexene-1,4-dioneFA 20_3;O4alpha-Tocopherol acetate6-beta-hydrocortisol1,4-Dihydronicotinamide adenine dinucleotideIndolepyruvate[6]-DehydrogingerdionePhytal2-Methyl-3-(2-pentenyl)-2-cyclopenten-1-oneDrospirenone2-Methyl-6-phytylhydroquinoneIsoleucyl-LeucineL-Lysine hydrochlorideGaboxadol3-Hydroxytetradecanedioic acidTacrolimus2-Hydroxydecanedioic acidalpha-Hydroxy-N-desmethyltamoxifen5-Phenylvaleric acidChlorphenesinL-PhosphoarginineL-Prolyl-4-hydroxy-L-prolinBetonicineDodecanamideDaidzinDocosa-4,7,10,13,16-pentaenoyl carnitineValylvalinemilbemycin alpha9AfzelinHydantoin-5-propionic acidFA 20_1Clomipramine3alpha,7beta-dihydroxy-5beta-cholest-24-en-26-oic AcidAuristatin E4-(Glutamylamino) butanoateN6-CarboxymethyllysineSphingosineAlpha-ketobutyrate2-(Dimethylamino)ethyl methacrylate5-(10,13-Nonadecadienyl)-1,3-benzenediol(E)-2-Tetracosenoic acidST 28_2;O10-Hydroxymyoporone12-Methyltridecanal1-(13Z,16Z-docosadienoyl)-glycero-3-phosphate1,2,3,5-Benzenetetrol9,12,13-TriHOMEsimvastatin hydroxy acidN-Undecanoylglycine(3b,16a,20R)-3,16,20,22,25-Pentahydroxy-5-cucurbiten-11-one 3-[glucosyl-(1->6)-glucoside]DiferuloylputrescineN-MalonyltryptophanBuprenorphine(Z)-4-(1-Propenyl)phenolFAL 15_0Crithmumdiol4-Ethyl-1,2-dimethoxybenzeneRetinyl beta-glucuronideN-Dodecyl-N,N-dimethyl-3-ammonio-1-propanesulfonateN-Chloroacetyl-2,6-diethylanilinePhenylacetaldehyde1,28-DicaffeoyloctacosanediolD-ArabinoseMethsuximideMycorradicinHexadecanedioic acid mono-L-carnitine esterN-Acetyl-4-O-acetylneuraminic acidUmbelliferonePrenyl glucosideMalvidin 3-glucoside-4-vinylphenol2,5-Heptadien-1-ol2'-AminoacetophenoneHovenine AValylalanineGuanineGlycyrrhetinic acidOctadecylamineHydroxyprolylhydroxyprolineButylparaben1-MethylnicotinamideLysoPC(20_1(11Z)_0_0)m-TyramineButyl propionate(R)-4A-(Ethoxymethyl)-1-(4-fluorophenyl)-6-((4-(trifluoromethyl)phenyl)sulfonyl)-4,4a,5,6,7,8-hexahydro-1H-pyrazolo[3,4-g]isoquinolineHydratopyrrhoxanthinolMoreollinChloroacetic acidGancaonin I2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien-8-oneProtoporphyrinogen IX5-Phenyl-1,3-pentadiyne4,5-Dimethyl-2-heptyloxazole3-alpha,20-alpha-Dihydroxy-5-beta-pregnane 3-glucuronideSafynol9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl esterEpilubimin3,5-Dimethoxyphenol8(R)-Hydroperoxylinoleic acidEtidronic acidIsoavocadienofuran6-Hydroxydaidzein3-Formyl-6-hydroxyindole3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphateMethyl 1-propene-1-sulfenoselenoateS-2-Propenyl propanethioateDocosanamidePargylineDaidzein 4'-sulfateGyromitrinAspartylhydroxyproline(S)-11,12,13-Trinor-7-calamenoneLevonorgestrel(E)-3-Heptenyl acetate5-methylthioadenosine (MTA)Fukiic acidGlycocholic acidPipecolic acidDe-O-methyldihydrosterigmatocystinProtopanaxadiolVerimol D2,3-Bis(3-hydroxybenzyl)butane-1,4-diolLapatinib2-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-olide1-deoxy-L-glycero-tetrulose 4-phosphate4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid(R)-3-Hydroxy-Octadecanoic acid6-Hydroxynicotinic acidPC(18_2_20_4)Isomorellic acid(3beta,5alpha,6alpha,22E,24R)-Ergosta-7,9(11),22-triene-3,5,6-triol3h-Sialic acidAnandamideCarnitineVulgarinLycodineMacheteOctadecadienoylcarnitineTetradec-2-enal1-Phenyl-2-pentanolEcgonine methyl esterCarthamidin 6,7-diglucosideOxyallobetulinLeucodopachrome12-Oxo-2,3-dinor-10,15-phytodienoic acid1,2,3,4-Tetrahydro-beta-carboline1-Ethoxy-2-methoxy-4-(1-propenyl)benzeneandrost-5-ene-3,17-dioneChavicol O-beta-glucopyranosideDiethyl phthalic acidLysoPC(18_0_0_0)Prolyl-GlutamineThreonyltryptophanAnnoglabasin FRiboflavin (Vitamin B2)O-Desmethylangolensin1-(2-Furanyl)-1-propanoneN,N-DimethyloctadecylamineMethyl linoleateCarbimazolePropylbenzeneLysylleucineL-beta-aspartyl-L-leucineAcetyl tributyl citrateN-AcetylasparagineBiocytin1-Methyluric acidbeta-Carotinal2,7,4'-trihydroxyisoflavanoneBoceprevirGlycohyocholic acidLeucyl-AsparagineD-RiboseAvenoleic acidThreonylhydroxyprolineDihydroorotic acidL,L-Cyclo(leucylprolyl)2-Furancarboxaldehyde(R)-2-Feruloyl-1-(4-Hydroxyphenyl)-1,2-ethanediolHeptanoylcarnitine11-Oxooctadecanoic acidDihydromorphineMethylisocitric acid5b-Cyprinol sulfate7-Chloro-3,3',4',5,6,8-hexamethoxyflavone6-Cinnamoyl-1-galloylglucoseMonomethyl glutaric acidJanthitrem CZalcitabineIsoleucylprolineRetinol(Vitamin A)24-Hydroxycalcitriol2,3-Dihydro-6-methyl-5-(5-methyl-2-furanyl)-1H-pyrrolizineCoenzyme Q9Creatine riboside1,3,7,12-Tetrahydroxycholan-24-oic acidalpha-TocopherolquinoneGeranylacetoneCep-1347TridecanoylglycineThioguanosine 5'-triphosphate(E)-4,8-Dimethyl-1,3,7-nonatrieneTrimethobenzamide5-Isothiocyanato-1-penteneD8'-Merulinic acid C3,5-Dichloro-2-hydroxybenzenesulfonic acidArlacelD-Alanyl-D-alanineGeranyl acetoacetateGlandulone A8-Amino-7-oxononanoic acid2-Hexaprenyl-6-methoxyphenol(3beta,5alpha,9alpha,22E,24R)-3,5,9-Trihydroxy-23-methylergosta-7,22-dien-6-one4-AminophenolL-LeucinePyridoxalDimethyl ent-16alpha-kaurane-17,19-dioateArginylleucineMenthyl ethylene glycol carbonate2-DECENOLPyrralineLeu-Leu-LeuN-Acetyl-D-glucosamine(3beta,5alpha,6beta,9alpha,22E,24R)-23-Methylergosta-7,22-diene-3,5,6,9-tetrolLeukotriene E411(R)-HPETECalonectrinLeucyl-ValinePent-2-enyl hexanoateEthyl butylacetylaminopropionatexi-1-Ethoxy-1-hexyloxyethane12alpha-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-tetraenoylcarnitine13-L-Hydroperoxylinoleic acid1-Chloro-2-nitrobenzeneEthyl pentyl ketone11-MethylgerberinolLoperamide16-Hydroxy-10-oxohexadecanoic acidN-MethylphenylethanolaminePYRROLIDINE-2-CARBALDEHYDEEthyl icosapentateST 27_2;O2Leukotriene D4Calendic acidN-AcetylglutaminePyroglutamylglycineHomofureanolQuinaldic acid3-Ethyl-1,2-cyclopentanedioneSe-Methylselenocysteine3-Phenylpropionic acid sulfate2-Keto-glutaramic acid10-nonadecenoate (19_1n9)Monoethylhexyl phthalic acidMethyl 2-aminobenzoateSecoisolariciresinol(4r,5s,6s,7r)-4,7-Dibenzyl-5,6-dihydroxy-1,3-bis[4-(hydroxymethyl)benzyl]-1,3-diazepan-2-one5-Heptyl-2-furanheptanoic acidDopamineAspartyl-LeucineOxoamide8-HDoHE(E)-2-Nonen-4-onePresqualene diphosphate13'-Carboxy-gamma-tocotrienol4-Guanidinobutanoic acidPS(15_0_15_0)ProlylhydroxyprolineCholesterolIsopyridoxal4-aminobenzoateTestosteronePro-leuVAPIPROSTSoyasapogenol BOleanolic aldehydedelta-TetradecalactonePalmitoyl Serinol4,8 Dimethylnonanoyl carnitineE-10-Hydroxydesmethylnortriptyline5alpha-cholesta-8,24-dien-3-oneGlycyrrhetolL-Valine3-Hydroxy-2H-pyran-2-oneUracilIminoaspartic acidTryptamineCholest-5-eneAllylisopropylacetamideST 27_0;O4ST 27_0;O3LysoPC(22_6_0_0)Sinapic acidL-Kynureninemono-Benzyl malonate9-cis-RetinalL-N-(3-Carboxypropyl)glutamineHydroxyprolyl-Serine5-Aminolevulinic acidOxandroloneTricin1-Phenyl-1,2-propanedione4-Methyl-1-phenyl-2-pentanoneLysylvaline1,8-Epoxy-p-menthan-4-ol glucosideLysoPE O-16_1(2xi,4xi)-2,4-Nonadien-1-olDihydrojasmonic acidLaurocapramRetapamulinBis(4-chlorophenyl)acetic acidtrans-2-DodecenoylcarnitineGlycyl-Isoleucinemethyl (9E,12Z)-octadeca-9,12-dienoateAnanasic acid3-SuccinoylpyridineIsothipendylHeptabarbitalR-1-Propenyl 1-propanesulfinothioateN2,N2-Dimethylguanosine2,3-Dehydrokievitol12-Hydroxy-12-octadecanoylcarnitine(R)-MyclobutanilTuricine1,2,5-Trimethyl-1H-pyrrole4-PyridoxolactoneDoramapimod2-HydroxyenterodiolGlutaminylleucineCarglumic acidMargaroylglycineCarvedilol2-(Methylthio)propane(E)-1-O-Cinnamoyl-beta-D-glucoseGalactopinitol APlastoquinone 3Arginylaspartic acidHexyl phenylacetate3-O-p-trans-Coumaroylalphitolic acidAdrenic acidPhenylalanylisoleucine2-Methyl-2-phenyl-undecaneKobusone2-Oxovaleric acidDigoxigenin2-Ethyl-4,5-dimethylthiazoleIsopropyl nonanoate3-Fumarylpyruvate1-(2,3-Dihydro-1H-pyrrolizin-5-yl)-1-butanone3-Phenylpropyl propanoateTrimethylglycineForetinibST 24_4;O4Quinolinic acid2-Methyl-3-hydroxybutyric acidHyoscyamineDeoxycarnitineZerumbonePyrrolidine-2-carboxamide5-Hexyl-2-furanhexanoic acid15(S)-HPETE2-Methylhippuric acid4,4-Dimethylcholesta-8,14,24-trienolFA 7_3;O4Azaspiracid 3Geranyl hexanoateMethyl 2-(10-heptadecenyl)-6-hydroxybenzoateST 29_3;OEremopetasin sulfoxideGermanicol cinnamateO-[(9Z)-17-Carboxyheptadec-9-enoyl]carnitinexi-5-Hydroxydodecanoic acid1-Hydroxy-2,12,15-heneicosatrien-4-oneGentamicin C2Beta-LeucineCorchorifatty acid Fcis-3-Hexenyl acetate10-Oxooctadecanoic acid2-[[4-[(2-Amino-4-oxo-5,6,7,8-tetrahydro-3H-pteridin-6-yl)methylamino]benzoyl]amino]-4-methylidenepentanedioic acidButyl butyrateMyristoylglycineHydroxyprolyl-Arginine[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoateForchlorfenurondelta-Tocotrienol3,5-Dimethoxytoluene4-Ethoxy-4-oxobut-2-enoic acid16-Hydroxyhexadecanoic acidN-Acetylgalactosamine 4-sulphateTetrahydrobiopterincis-5-Tetradecenoylcarnitine20-Hydroxyeicosatetraenoic acidDimethyl fumarate2,4-Diaminobutyric acidSaccharopine4-Hydroxycinnamic acid4-Hydroxy-6-methyl-3-(1H-pyrazol-3-yl)-2H-pyran-2-onePC-M53-Hydroxyquininebeta-propiolactoneIsobutyl angelateLysoPA(i-13_0_0_0)ValyllysineN-Demethyl Mifepristone5,6-DHET3-Methoxyphenylacetic acidAmbonic acidGlycerophospho-N-Arachidonoyl EthanolamineValylhydroxyproline(E)-2-(2-Octenyl)cyclopentanoneHumic acid2-Octen-4-one4-(Nitrosomethylidene)-1-[[4-(nitrosomethylidene)pyridin-1-yl]methoxymethyl]pyridineGlutarylcarnitine (C5-DC)Platelet-activating factorCholesta-4,6-dien-3-one(2,5-Dihydroxy-1H-pyrrol-3-yl) prop-2-enoateLysoPC(16_0_0_0)(9E)-10-nitrooctadecenoic AcidoctanoatePhytonadiolMicromeric acid5-Geranyloxy-7-methoxycoumarinkeratan sulfate II (core 2-linked), degradation product 1BullatanocinStigmastanolParamethasoneIndoleacetic acidHemeDihydro-3-(1-octenyl)-2,5-furandione2-Heptyl-4,5-dimethylthiazole3-Pyridylacetic acidGinsenoyne DFrangulanineN-Acetylhistidine2-Keto-6-aminocaproate1-Isothiocyanato-4-phenylbutaneOrciprenalineGamma-glutamyl-leucineN-Acetylputrescine2-Methoxy-5-methylpyrazineMeprobamateβ-Muricholic acidPiperundecalidineChlorazinePristanoylglycineAsparagineCoprocholic acid3,4-Methyleneazelaic acidAsparaginylhistidine2,3-DihydrobenzofuranMG(18_1(9Z)_0_0_0_0)Panaquinquecol 2Capsidiol5alpha-Androstane-3beta,17beta-diolCXCR3 Antagonist 6cNicotinic acidN-Acetylmuramate4-Pentenoic acidp-Xylene4,6-Tricosanedione7alpha,25-Dihydroxy-4-cholesten-3-oneepsilon-TocopherolPalmitoyl Ara-CL-beta-aspartyl-L-glycinetrans, trans-3,5-Octadien-2-one4-Amino-3-hydroxybutyrate1-Hexen-3-ol17beta-Estradiol 3-sulfateGlutamylleucineST 29_3;O3Phenylpropionylglycine12,13-EpOMEImetit1-Hydroxyvitamin D54alpha-Formyl-4beta-methyl-5alpha-cholesta-8-en-3beta-olo-Tyrosine20, 22-DihydrodigoxigeninLysoPC(18_3(6Z,9Z,12Z)_0_0)2-Furoic acid1-Pyrroline-2-carboxylic acidEremopetasinorone APalmitoylcarnitine13'-Hydroxy-alpha-tocotrienolGeranyl PhosphateLicoriphenone(2R,3R,4R)-2-Amino-4-hydroxy-3-methylpentanoic acidTetracosatetraenoic acid (24_4n-6)IrbesartanTetracosapentaenoic acid (24_5n-3)GlutaminylalanineProtoporphyrin IXPyruvaldehyde(2S,3'S)-alpha-Amino-2-carboxy-5-oxo-1-pyrrolidinebutanoic acidSarsasapogeninL-Targinine(R)-Equol1-Phenylethyl acetate2-DeoxybrassinolideAscladiolPropiverineSibutramineDimyristoyl phosphatidylglycerolDenaverineGanoderenic acid A(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acidCamalexinMG(18_3(9Z,12Z,15Z)_0_0_0_0)Epsilon-caprolactam1-OctadecanethiolTriacontanalSerylphenylalanine31-nor-Lanost-8-en-3beta-olD-OrnithineEthoxyquinHomomethionineMetaxalone4-Ethylresorcinol2-Hydroxypropyl glucosinolate11-HpODEN-Acetyl-b-glucosaminylamineDiisopropanolamine(Z)-22-Hentriacontene-2,4-dioneN-NitrosodibutylamineMethyl 2-amino-3-(4-chlorophenyl)propanoateOleanderolide 3-acetate5-MethyltricosanoylcarnitinePregnanetriol2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid5-Hydroxy-L-tryptophanEstrone3a,20b-PregnanediolSpinacoside D(x)-1-Nonen-3-yl acetateOxyphencycliminealpha-IroneRetrofractamide CSibopirdineGlycerylphosphorylethanolamineStercobilinogenIndican2-Methyl-4-phenylbutyraldehydeAlnespironeBufadienolideTheasapogenol A1,3,5-Trimethoxybenzene2-Methyl-5-(8,11-pentadecadienyl)-1,3-benzenediol3,6-Dimethyl-2(3H)-benzofuranoneMethyl 2-furoateAspartame2-Phenylpropyl butyrate5-AminopentanamideRubinic acidFeniculinMethyl (2E,4Z)-decadienoateHexanoylglycineAndrostenol(7E,10E,13E,16E)-3-Hydroxydocosa-7,10,13,16-tetraenoylcarnitineScoparone24-Acetyl- 25-cinnamoylvulgarosideFucoxanthinHydroxyethyl myristyl oxyhydroxypropyl decanamidePaxillineindole-3-glycol(R)-mandelic Acid2-MethylbutyroylcarnitineCyclo-prolylglycine3-Octen-2-oneProstaglandin-c2Ursolic acid3-Hydroxyanthranilic acid3-ureido-isobutyrate2-Propenyl phenylacetateEthyl trans-p-methoxycinnamate2-Butyl-4-methylphenolEthyl levulinate2,5-DimethylfuranValylserinePanasenosideCarbamic acidCinnamic acidSuccinobucol4-Hydroxynornantenine2-Methoxyestrone2,2',3,4,4',5',6-Heptabromodiphenyl etherGlutaric acid(±)-2-MethylthiazolidineL-beta-aspartyl-L-alanine2,3-Epoxyphylloquinone5-Heptyl-3,4-dimethyl-2-furanheptanoic acidUrsodeoxycholateAscorbic acid 2-sulfateMoupinamideAsticolorin CConiferanLucidadiolN-AcetylcadaverineArgininosuccinic acid disodiumIsoferulic acidDodecanedioylcarnitine(Z)-5-Hexadecenoic acidIsoetharineLinatineAspartyl-TyrosineEthyl Arachidonate5-Ethyl-3,4-dimethyl-2-furanundecanoic acidBenzo[a]pyrene-9,10-oxidePortulacaxanthin IIButorphanolVitamin D3Aminocarb3,5,5-Trimethyl-1,2-cyclohexanedioneDiethylphosphatexi-Dihydro-5-octyl-2(3H)-furanone2-Ethyl-5-methyl-3,3-diphenyl-1-pyrrolineGuanosinePC(14_1(9Z)_22_1(13Z))Pumiliotoxin ACassiastearoptene2,4-Hexadienyl acetategamma-Glutamylisoleucine1-Palmitoylphosphatidylcholine3,4-DimethoxybenzaldehydeBenzyl hexanoateUrobilinogenPeonidin 3-rhamnoside 5-glucoside1,2-Ethanediol monoricinoleate7-Ethyl-10-hydroxycamptothecin13-Heptadecyn-1-olTetradecanolAvenestergenin B2TetradecanoylcarnitineProstaglandin F2alphaPolyporusterone E4-Hydroxy-3-polyprenylbenzoate3-Carbamoyl-2-phenylpropionaldehydeCurzerenonePristanalBiliverdin4-Hydroxy-1-(3-pyridinyl)-1-butanoneAlanylphenylalaninecis-QuinceoxepaneN,N-Dimethylsphingosine2-Aminoisobutyric acid2-Indolecarboxylic acidAmifostineHomocitric acid15,16-Epoxy-9,12-octadecadienoic acidtrans-trans-Muconic acidStearoylglycinebeta-Micropteroxanthin10-Apo-beta-carotenalL-argininium(1+)2-Ethoxy-1-methoxy-4-(1-propenyl)benzeneDicyclohexyl phthalate1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-4-HydroxyphenylacetaldehydeMesna2,3-Epoxymenaquinonedelta-AmorpheneD-ThreitolN-AcetylthreonineIndole-3-carbinol(2s,3r,4s,5r)-3,4,5-Trihydroxy-6-oxopiperidine-2-carboxylic acid2,4-Diamino-6-nitrotolueneN-acetyl-aspartyl-glutamate (NAAG)Ethyl (2E,4E,7Z)-Decatrienoategamma-GlutamylprolineSakacin P4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanoneEthyl apovincaminateNummularine A(2-trans-6-trans)-farnesoateL-Menthyl acetoacetateMethyl-delta-iononeDiethanolamineCeruleninCaffeylaldehyde4alpha-Formyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-olHistidylhydroxyprolineExaltolideZ-Leu-Leu-NorvalinalPropoxurL-Glutamic gamma-semialdehydeSuberylglycineApigenin 7-sulfateTetracosahexaenoic acid, n-312,13-DiHOMELevomethadyl Acetate2-HexadecanoneCarboxy methyl lysine4-Amino-5-oxopentanamideMyrsinoneTyromycic acidUndecaprenyl diphosphate1-Methylpyrrolidine-2-carboxylic acidBergenin PentaacetateGibberellin A812,4-UndecadienalPhenylalanylphenylalanineMalonylglycinetriterpenoidsClitocineBiotin sulfoxideDrotaverineGlycylproline4-Nitrotoluene(R)-1-O-[b-D-Apiofuranosyl-(1->2)-b-D-glucopyranoside]-1,3-octanediolDihydro-4,4-dimethyl-2(3H)-furanoneAvocadene 1-acetatePhloretinSpermidineArtesunateEnprofyllineDimethyl trisulfide3-Dehydrocarnitine2-AminonaphthaleneAsparagoside APhenylalanylvaline3'-Geranyl-2',4,4',6'-tetrahydroxychalconeN-Linoleoyl ProlineD-Erythro-imidazole-glycerol-phosphateDropropizine3-Oxalomalic acidST 28_2;O2xi-gamma-Undecalactone5-Methyl-3-thiophenethiol(7Z,10Z)-Hexadecadienoylcarnitine(+)-Dehydrovomifoliol5alpha-Pregnan-3beta,20beta-diol 20-sulfateAspartylphenylalaninecis-3-DeceneN-Formyl-L-aspartatebeta-D-Glucopyranosyl-11-hydroxyjasmonic acid4-Aminobenzoic acidTRIETHYL PHOSPHATEfuraneol (keto form)(5Z,8Z)-Pentadeca-5,8-dienoylcarnitineMetanephrineKenposide BN(6)-Methyllysine3-Methoxybenzenepropanoic acidHomolanthionine(Z)-TamarindienalKarion2-[6-Fluoro-2-methyl-3-[(4-methylsulfinylphenyl)methylidene]-1-indenyl]acetic acid3b,7a,12a-Trihydroxy-5b-cholanoic acidDemethoxyshogaolN-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycineOctadecanamidePiperinePC(16_0_18_1(9Z))BenzimidazoleNorpandamarilactonine AAmbamustineM2 di-hydroxylated metaboliteST 21_2;O42-hydroxyphytanic acidAmifloxacinAstromicinCreatinine2,5-Dichloro-4-oxohex-2-enedioate4-Methoxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)-1,3-benzenediolProxyphyllineAlbafuran AEmodinSodium lactatekaempferol 3-rhamnoside-7-glucosideOctahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one2-Phenylacetamide11,12,15-THETAStachydrinexi-4-Hydroxy-4-methyl-2-cyclohexen-1-oneRupatadineDopamine quinoneLysoPC(18_2_0_0)corymboside7a,12a-Dihydroxy-5a-cholestan-3-one4-phenylbutanic acid-O-sulphateHexaethylene glycolHistidinal3-hydroxypristanic acid3-Hydroxyicos-11-enoylcarnitine6-Isothiocyanato-1-hexeneCeanothenic acidNaxagolide7-ketolithocholic acidCortisolIsobutyl isothiocyanatePregabalinRetinyl acetateGamma-Glutamylmethionine(3beta,5beta,8beta,22E,24xi)-Ergosta-6,22-diene-3,5,8-triolGlycerophosphoric acid4-Chloro-3,5-dimethoxybenzyl alcohol2-hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one3-Butylidene-1(3H)-isobenzofuranoneJasmonic acidisopentenyl adenosineLotaustralin2,4-NonadienalFloionolic acidIsotectorigenin 4'-glucoside 7-rhamnosideCytidineArginylasparaginebeta-CryptoxanthinIsogermafureneMelleolide FTryptopholMesobilirubinogenL-LysineMangiferonic acid1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amineAndrostanedionealpha-Methylene-gamma-butyrolactone2,3-Dipalmitoyl-S-glycerylcysteine5-Butyl-3,4-dimethyl-2-furannonanoic acid7-[(1R,2R,3R,5S)-3,5-Dihydroxy-2-[(3S)-3-hydroxyoctyl]cyclopentyl]heptanoylcarnitinetrans-2-Hexenedioic acidDihydro-5-pentyl-2(3H)-furanone2-HeptadecanoneDodecanoic acidGenipinEthyl 2-aminobenzoateOctylamineGamma-glutamylglutamate(+)-SesaminSphinganineS-(Allylthio)-L-cysteinegamma-Glutamylaspartic acid2-linoleoyl-sn-glycero-3-phosphocholineTrioxsalen3-[(2-Mercapto-1-methylpropyl)thio]-2-butanol1-(4-Hydroxy-3,5-dimethoxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)-3,5-heptanediolPhenylmethyl butanoateArtemisyl propionateGoyaglycoside a3-Hydroxy-L-prolinePE(P-18_0_22_6(4Z,7Z,10Z,13Z,16Z,19Z))1-PyrrolidinecarboxaldehydeDimethyl maleateDelta-TocopherolCitroptenAzetidine-1-carboxylic acidOleoylethanolamide3-PentadecylphenolHyodeoxycholic acidClupanodonyl carnitineLysoPC(16_1(9Z)_0_0)Asi-2228-iso-13,14-dihydro-15-keto-PGF2a3-alpha-hydroxy-5-alpha-androstane-17-one 3-D-glucuronide5-(3-Pyridyl)-2-hydroxytetrahydrofuranDigeranylFAL 16_12-Exo-hydroxy-1,8-cineole13-Oxo-9,11-tridecadienoic acidN-Carbamoylputrescine1-HydroxyisoquinolineOxybutyninValylglutamic acidIsonicotinic acidStenocereol2,3-Dimethylbut-2-enedioic acid(6E,8E,10R,12Z)-10-Hydroxy-3-oxooctadecatrienoic acidGlutamyltyrosineRubitic acid3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol2-Benzyl-4,5-dimethyl-1,3-dioxolane13'-Hydroxy-gamma-tocotrienolL-Lysopine4-Hydroxy-2-butenoic acid gamma-lactoneSparfloxacinCyperotundoneAjmalineN-Acetylprocainamide2-Methylpropyl 3-oxobutanoate4-Ethyl-2-methyloxazoleIsofucosterol1,2-Benzoquinone2,8-QuinolinediolDolichosteronePalmitoylethanolamideEsmololPhytolBarbituric acidSinapineDeisopropylatrazine3,4-DihydroxyphenylacetoneTyrosolNalbuphineProlyl-CysteineLinalyl caprylateNe,Ne dimethyllysineIsoleucyl-IsoleucineGemfibrozilStyreneIsobutyl 10-undecenoate3,4-Dihydroxytetradecanoylcarnitine2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxalineL-PyridosinePokeberrygeninLysoPC(0_0_18_0)L-HistidinolLecithinD-N-(Carboxyacetyl)alanineGabapentinCoproporphyrinogen IIIPinostrobin 5-glucosideCuscohygrineDopexamineGlutaralCarvyl propionateLeucyl-GlycinePeonidin 3-rutinosideAsparaginyl-Gamma-glutamateOctadeca-6,9,12-trienoic acid(3beta,5alpha,9alpha,22E,24R)-5,9-Epidioxy-3-hydroxyergosta-7,22-dien-6-onepeiminineLinoleamide3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acidN-Desmethyltamoxifen4alpha-Hydroxymethyl-4beta-methyl-5alpha-cholesta-8,24-dien-3beta-ol3-MethylcrotonylglycineSolacaulineMeta-Tyrosine3beta-hydroxy-5-cholestenoateTetracaineIsopropylmaleic acidSalsolinolDiaminopimelic acid4-Acetoxy-2-hexyltetrahydrofuran(ent-2alpha,3beta,15beta)-16-Kaurene-2,3,15-triol4-Hydroxyphenytoin glucuronide(Z)-[(4-hydroxyphenyl)acetaldehyde oxime]Hydroxyprolyl-Proline(E)-3-Heptenyl 2-methylpropanoateAloinN-Ethyl trans-2-cis-6-nonadienamide5-Hydroxymethyl-2-furancarboxaldehydeLeucylprolineValylisoleucineN-Acetylmannosamine(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-olBenzyl formateFarnesylcysteinePipericine1-Piperideine-2-carboxylic acidN-Acetylserotonin4-Acetamidobutanoate4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphateDidodecyl thiobispropanoateGlycylglycineAminocaproic acidCortol8(S)-HPETEMimosineDhelwangin(+)-Myrtenyl formatePentadecylamineGibberellin A39(S)-9-Hydroxy-10-undecenoic acid1-Naphthyl isocyanate28-Hydroxymangiferonic acid1-linoleoylglycerol (18_2)1,3,6-Trihydroxy-5-methoxyxanthone10'-Apo-beta-carotenal9,10-Dihydroxystearic acidHexylbenzene3-Oxooctadecanoic acid(all-Z)-8,11,14-Heptadecatrienal4-(4-hydroxy-3,5-dimethoxyphenyl)-3-buten-2-oneDemethylzeylasteralQuinineGibberellin A51Ceanothine EQuercetin 3-xylosyl-(1->6)-glucoside11-Keto-beta-boswellic acidN-acetylglucosamine_N-acetylgalactosamine(3beta,22R,23R,24S)-3,22,23-Trihydroxystigmastan-6-one7,8-diaminopelargonateStanozolol9-HexadecenoylcarnitineST 29_2;OPhenyllactic 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-trienoylcarnitineL-ArginineBetaxolol3-Phenylpropyl cinnamatePhenacemideTanakine13,14-Dihydroprostaglandin F2alphaN8-AcetylspermidineDocosahexaenoyl EthanolamideMethocarbamolLysoPC(17_0_0_0)LiquiritigeninLycoperoside DN-Succinyl-L,L-2,6-diaminopimelate2',4'-Dihydroxy-6'-methoxyacetophenone5-HydroxyindoleOphthalmic acidN-(4-(2-(2,3-Dihydrobenzo(b)furan-7-carboxamido)ethyl)benzenesulfonyl)-N'-cyclohexylureaValylthreonine5(S)-Hydroperoxyeicosatetraenoic acidLinurono-AminoazotolueneCyanidin 3-(6'-p-coumarylsambubioside)Octaethyleneglycol monododecyl etherCavipetin C2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]non-3-eneBis(2-ethylhexyl) phthalateOctaprenyl diphosphatetrans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene2-Chloro-1-(chloromethyl)ethyl carbamate3-(4-hydroxyphenyl)lactateAlanylasparagineCystophorene(14Z)-Tricos-14-enoylcarnitine2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidinePentadecanoylglycine6-Phenyl-3-hexen-2-oneIsohyodeoxycholic acidKanzonol KLumichromePC(16_0_20_4(5Z,8Z,11Z,14Z))1-[(5-Methyl-2-furanyl)methyl]pyrrolidineFinasteride5-[[2-[(2-Benzyl-3-tert-butylsulfonylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-N-butyl-6-cyclohexyl-4-hydroxy-2-propan-2-ylhexanamide1,2,3,10-Tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-oneBenzyl trans-2-methyl-2-butenoate3-Hydroxy-4-aminopyridineButanamide, N-phenyl-N-[1-(2-phenylethyl)-4-piperidinyl]-Methadonem-ToluamideCholic acidtrans-4,5-Dimethyl-2-(1-pyrrolidinyl)-2-cyclopenten-1-oneNitroglycerinN-Oleoyl Glycine1,2-Cyclohexanedione3-[(3-Methylbutyl)nitrosoamino]-2-butanoneVitamin A2 aldehyde3,N(4)-Ethenodeoxycytidine2-Aminoacrylic acidSerylproline10-HydroxymelleolideN-(1-Deoxy-1-fructosyl)leucineCaffeine5-(14-Nonadecenyl)-1,3-benzenediol2-Geranyl-2',3,4,4'-tetrahydroxydihydrochalconeAlliinThreonylisoleucineN-AcetylprolineN-Palmitoyl SerineSoyasaponin IGamma-Linolenic acidCucurbitacin DArbutinValproic acidgamma-GlutamylcysteineTryptophyl-Isoleucine3-Ethyl-2-hydroxy-4-methyl-2-cyclopenten-1-one1,1-Dimethoxy-2-phenylethane6,8-TricosanedioneL-Methioninealpha-CEHC4-hydroxymidazolamTriprolidineN-AcetylhistamineRemoxiprideSphinganine 1-phosphatedelta-24-25-sitosterolTetrahydrodeoxycorticosterone12,20-Dioxo-leukotriene B4L-4-Hydroxyglutamate semialdehyde2-Methyl-5-(8-pentadecenyl)-1,3-benzenediol7-Ketodeoxycholic acidCAR 2_0L-Homocysteine sulfonic acid5-(2-Hydroxyethyl)-4-methylthiazoleLeucyl-leucinePapa nonoate5-Amino-2-oxopentanoic acid6-Hydroxymelatonin17a-HydroxypregnenoloneApigenin4-HepteneoylglycineIsopropyl 2-methylbutanoate4-[2-[(E)-Octadec-9-enoyl]oxy-3-[(Z)-octadec-9-enoyl]oxypropoxy]-4-oxobutanoic acid(+)-CamphorN-Acetyl-9-O-acetylneuraminic acidUnshuoside AGacyclidineSuccinylacetoneErgosterolN-Acetyl-3-methylhistidineScopolamineFA 16_1Ascorbyl palmitate(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrileAndrosterone2-(1-Mercaptoethyl)furanLansioside B12-Oxo-20-carboxy-leukotriene B41-Hydroxyphenanthrene2,4-Diisopropyl-5-methylphenolDeoxyguanosineOvalicinQuinic acid(4-Aminobutyl)guanidine(2E)-Decenoyl-ACP2-Hydroxy-6-pentadecylbenzoic acid2-(2-Methylpropyl)pyridineEthyl methanesulfonatecis-2-Methylaconitate13,14-Dihydro-15-oxo-lipoxin A4Chondrillasterol 3-[glucosyl-(1->4)-glucoside]DemethylphylloquinoneDibutyl phthalate11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acidTranexamic AcidST 30_3;O2AmrinoneOrotic acidAsparaginamideIpomeatetrahydrofuranMarmelolactone A2-PiperidinoneMethyl(acetoxymethyl)nitrosamineFoeniculoside VIIIAlanylproline12-HETEEnterocin 900ClarycetMandelic acidLathosterolMethyl jasmonateO-(17-Carboxyheptadecanoyl)carnitineMiltefosine1-Pyrroline-5-carboxylic acidLysoPC(22_5_0_0)Prolyl-AlanineTrimethylpyrazine9,10,13-Trihydroxystearic acid4,8-Diacetyl-T2-tetrol24,25-Dihydroxyvitamin D24,25,26,27-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-diolAcidissiminin6-(2-Hydroxyethoxy)-6-oxohexanoic acid4-HydroxysphinganineProlyl-Threoninep-HydroxyfelbamateSoyasaponin IIISeryltyrosineThreonylphenylalanine12-hydroxyheptadecanoic acid3'-N-Acetyl-4'-O-(9-octadecenoyl)fusarochromanone(Z)-13-Octadecenoic acid1-Isothiocyanatobutane2-Aminobenzoic acidN1-Methyl-4-pyridone-3-carboxamideChrysophanolP,P-DioctyldiphenylamineSpirolide D4-Chloro-L-phenylalanineFA 18_2FA 18_1Phosphocreatine2-Hydroxy-2-ethylsuccinic acidValylprolineChrysin1-Benzazepine2-Methylpropyl 3-hydroxy-2-methylidenebutanoateNorvaline3-Oxohexadecanoic acidTamoxifen N-oxideBiopterinBullatinPentacosanoylglycineHistidylleucinefalseDietary hispidulin ameliorated chemically-Induced colitis by inhibiting epithelial cell ferroptosis via the ACAT2-GPX4 axis and remodeling the gut microbiotaHispidulin, 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 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