MetaboLights

application/xml

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were annotated against BiotreeDB v3.0 using retention time, precursor-ion MS1 information, and MS/MS fragmentation spectra. Identification confidence was classified according to the Metabolomics Standards Initiative: Level 1, matching of MS1, MS2, and retention time to authentic standards; Level 2, matching of MS1 and MS2 to public databases; Level 3, matching of MS1, MS2, and predicted retention time to theoretical databases; and Level 4, unknown features.MetaboLightsPublicLiquid Chromatography MS - positive - hilicLiquid Chromatography MS - negative - hilicChromatographic separation was performed using a Thermo Scientific Vanquish UHPLC system equipped with a Waters ACQUITY UPLC BEH Amide column (2.1 × 50 mm, 1.7 μm). Mobile phase A consisted of water containing 25 mmol/L ammonium acetate and 25 mmol/L ammonium hydroxide, and mobile phase B was acetonitrile. The autosampler temperature was maintained at 4 °C and the injection volume was 2 μL. Integrated multi-omics reveals gut microbiota–metabolic mechanisms underlying the neuroprotective effects of Xijiao Dihuang Decoction against cerebral ischemia–reperfusion injury.Yuyan LongHunan University of Chinese Medicinefecesmass spectrometry assayApproximately 25 ± 1 mg of each fecal sample was mixed with 500 μL of extraction solvent containing isotope-labeled internal standards (methanol/acetonitrile/water, 2:2:1, v/v/v). Samples were vortexed for 30 s, homogenized at 35 Hz for 4 min, and sonicated in an ice-water bath for 5 min. The homogenization–sonication procedure was repeated three times. Samples were then incubated at −40 °C for 1 h. Subsequently, 200 μL of the extract was filtered through a 0.22-μm filter plate under positive pressure (6 psi for 180 s). Pooled quality-control samples were prepared by mixing equal aliquots from all experimental samples.Rattus norvegicushttps://www.ebi.ac.uk/metabolights/MTBLS15783Yuyan Long. Hunan University of Chinese Medicine. 1069815871@qq.com.Raw LC–MS data were converted to mzXML format using ProteoWizard v3.0.24054 and processed using an in-house R-based pipeline. Features with an RSD >30% or a missing rate >50% were excluded. Missing values were imputed using one-half of the minimum observed value, followed by total ion current normalization. Treatment1069815871@qq.comFecal samples were collected under sterile conditions and immediately stored at −80 °C until untargeted metabolomics analysis.MetabolomicsThermo Scientific Vanquish UHPLC SystemMetabolomicsuntargeted analysisThermo Scientific Orbitrap Exploris 120Rattus norvegicusquality control samplefecesischemic strokeexperimental sampleuntargeted metabolite profilingThermo Scientific Vanquish UHPLC SystemMetabolomicsuntargeted analysisThermo Scientific Orbitrap Exploris 120Rattus norvegicusquality control samplefecesischemic strokeexperimental sampleuntargeted metabolite profilingMass spectrometric data were acquired using a Thermo Scientific Orbitrap Exploris 120 mass spectrometer in both positive- and negative-ion modes. The sheath gas and auxiliary gas flow rates were set to 50 and 15 Arb, respectively, and the capillary temperature was 320 °C. Full-MS and MS/MS resolutions were 60,000 and 15,000, respectively. Stepped normalized collision energies were set at 20, 30, and 40. The spray voltage was 3.8 kV in positive-ion mode and −3.4 kV in negative-ion mode. The scan range was m/z 70–1200.(2-{[2-[hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium2-Fluoro-4'-hydroxybenzophenoneSchaftoside2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID1H-Indole-5-sulfonamide, N-(3-chlorophenyl)-3-[[3,5-dimethyl-4-[(4-methyl-1-piperazinyl)carbonyl]-1H-pyrrol-2-yl]methylene]-2,3-dihydro-N-methyl-2-oxo-, (3Z)-1-(4-Hydroxyphenyl)-2-methylaminoethanone2-Keto-3-deoxygluconic acid1H-Indole-3-carboxamide, 1-(5-fluoropentyl)-N-1-naphthalenyl-3-Amino-3-(3-bromo-4-fluorophenyl)propanoic acid2-Decyl-3-hydroxypentanedioic acidLonchocarpinMyrocin A4-Chloro-1H-benzotriazol-1-olIndole-3-methyl acetateEthyl gallateKetoleucine5-Heptenoic acid, 7-[(1R,2R,3S,5S)-2-[(1E,3R)-3-(2,3-dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl]-3-fluoro-5-hydroxycyclopentyl]-, (5Z)-Sch 2109723-(3,4-Dimethoxyphenyl)-7-hydroxy-4-phenylcoumarinCitrullineGlycolateGly-Gly-Leu3.alpha.,6.alpha.-Mannotriose12-Oxoleukotriene B4Deacylgymnemic acid4-HydroxybenzaldehydeN2-Acetylornithine(2S)-2-[[(1S)-1-Carboxy-3-methylbutyl]carbamoylamino]glutaric acidCholic acid 3-glucuronide2-[(3-Nitrobenzoyl)amino]benzoic acidCauloside CMevalonic acidSoyasaponin BaSer-GluPracinostatTyr-Gly-TyrN-[(4-Chlorophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-aminePro-GlnHydroferulic acid1H-2-Benzopyran-7-butanoic acid, 6,8-dihydroxy-.alpha.,.gamma.-dimethoxy-3-methyl-1-oxo-, methyl ester2-Furanacetic acid, tetrahydro-5-(2-hydroxypropyl)-.alpha.-methyl-, 2-[5-(1-carboxyethyl)tetrahydro-2-furanyl]-1-methylethyl esterPiperonylic acidMaltopentaoseLeu-Gly-Leu7-((6-Deoxy-.alpha.-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-acetyl-6-deoxy-.alpha.-L-mannopyranosideO-Desmethylmycophenolic acidGln-LeuQuinolin-7-ol3-(2-Hydroxyphenyl)propanoic acid5-(Acetylamino)-2-hydroxybenzoic acid5-Hydroxyhexanoic acidKainic acidN-Acetylneuraminic acidPantothenic acidHygric acid(E)-5-[4-(Carboxymethyl)-4-methoxycarbonyl-3-methyl-6-methylidene-2-oxo-3a,5,7,7a-tetrahydro-3H-1-benzofuran-5-yl]-3-methylpent-2-enoic acid(1-Acetyloxy-3-hydroxy-6,8a-dimethyl-7-oxo-3-propan-2-yl-2,3a,4,8-tetrahydro-1H-azulen-4-yl) 4-hydroxybenzoateAllolithocholic acid4-(1H-Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamineLeu-ValSoyasaponin II2-Prenylhydroquinone-1-glucosideCrocin 3AcetylglycineVanillic acidGlycine, 1,1'-(1,8-dioxo-1,8-octanediyl)bis[glycyl-HEPTANOIC ACID1,5-IsoquinolinediolPhthalic acidN-.alpha.-(tert-Butoxycarbonyl)-L-glutamic acidHomoveratric acidTafluprost3-Dehydroquinic acid2-Phenyllactic acidDocosapentaenoic acid (DPA)Hederoside F4-Acetamidobutyric acidUnguinol3-Hydroxybenzoic acidAuranticin A3,5-Dimethyl-1H-pyrazole-4-carboxylic acidN-(p-Methoxybenzenesulfonyl)glycine5-Phenylisoxazol-3-olcis-11.14-Eicosadienoic acid4-(Methylamino)butanoic acid7-Hydroxy-6-methoxy-3-methyl-5-(propan-2-ylidene)furo[2,3,4-de]chromen-2(5H)-oneDL-2-Methylglutamic acidMonomethyl fumarateTiaprostCyclopentanehexanoic acid, 2-[(2Z)-4-carboxy-2-buten-1-yl]-3,5-dihydroxy-.gamma.-oxo-, (1R,2R,3S,5S)-2-Hydroxy-4-methoxybenzoic acidN-(2-Methylphenyl)benzenesulfonamide(2E,4E)-5-(6-((.beta.-D-Glucopyranosyloxy)methyl)-1-hydroxy-2,6-dimethyl-4-oxocyclohex-2-en-1-yl)-3-methylpenta-2,4-dienoic acidHexanoic acid, 5-(acetylamino)-4-oxo-Averantin5-ketocaproate9-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid4(3H)-Quinazolinone, 2-[(phenylmethyl)thio]-2,3,4-Trihydroxybenzaldehyde (4-chlorophenyl)hydrazone3-[(Acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acidEupatilinCyclopropylacetic acid3-[(3-Carboxypropanoyl)amino]benzoic acidCys-Gly-CysN-3,4-TridhydroxybenzamideCortisone_acetateLithocholic acid 3-sulfateBenzoic acid1-Isopropyl-1H-benzimidazole-5-carboxylic acidN-AcetylcitrullineTrp-GluMethylsuccinic acidTetradecanedioic acidTraumatic acidGlycolithocholic acid 3-sulfate7-Methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-olO-Acetylserine(4-Oxo-1,3-thiazolidin-3-yl)acetic acidGLUCOSAMINE 6-SULFATE6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone(E)-5-Hydroxyundec-2-enoic acid2'-Hydroxy-2,4,4',6'-tetramethoxychalcone5-Hydroxymethylfurfural(2R)-6-Oxo-2-piperidinecarboxylic acid(5-Chloro-1H-benzimidazol-2-yl)methanolBenzoic acid, 4-hydroxy-3-[[2-(4-tricyclo[3.3.1.1(3,7)]dec-1-ylphenoxy)acetyl]amino]-, methyl esterTrp-Gln1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phospho-(1'-sn-glycerol)EndothalBenzamide, 2-chloro-5-nitro-N-phenyl-2-Ketobutyric acidPanglimycin E5-Chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-(hydroxymethyl)-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehydeTricin methyl etherIsodeoxycholic acid4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acidN-(1H-Benzimidazol-2-yl)-4-fluorobenzamideN-(tert-Butoxycarbonyl)tryptophan3-[[2,2-Dimethyl-7-(2-methylbut-3-en-2-yl)-8H-pyrano[3,2-f]indol-6-yl]methyl]-2,3,6,7-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dioneTetrahydroharman-3-carboxylic acidLovastatin hydroxy acidValeric acidN-Lauroyl-D-erythro-sphingosylphosphorylcholine(-)-AromadendrinButyllactateAbexinostat[1-(3,4-Dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate5-Hydroxy-3,4-dihydro-2(1H)-quinolinone3-(3-Chlorophenyl)-2,4-imidazolidinedione5-(9-Anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione2-MethylbutyrylglycineDebromohymenialdisine(7E)-4-Hydroxy-7-(1-hydroxypropan-2-ylidene)octahydro-3,9a-methanocyclopenta[c]oxocine-4(1H)-carboxylic acidClebopride (malate)Trihydroxycholestanoic acidProstaglandin I2 (PGI2)5a,6-Dihydroxy-13-methoxy-5,5,7a,9,14b-pentamethyl-1,2,5a,6,7,7a,10,14,14a,14b-decahydro-5H-furo[3,4-i]oxepino[4,3-a]xanthene-3,12-dione4',5,7-Trihydroxy 3,3',6,8-tetramethoxyflavone17-Trifluoromethylphenyl-13,14-dihydrotrinorprostaglandin F2.alpha.2-[5-(2-Hydroxypropyl)oxolan-2-yl]propanoic acid(4-(.beta.-D-Glucopyranosyloxy)-2,6-bis(3-methylbut-2-en-1-yl)phenyl)(hydroxy)acetic acidN-Acetylphenylalanine6-Amino-1-benzyl-5-methylamino-1H-pyrimidine-2,4-dionecis-4,10,13,16-Docosatetraenoic acid1-(10Z-Heptadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol)2-Amino-5,5,5-trifluoropentanoic acidEpiafzelechin (2R,3R)(-)3-Methyl-2-oxovaleric acidDesaminotyrosine1-[3-(Acetylsulfanyl)propanoyl]-6-methyl-2-piperidinecarboxylic acidn-Propyl gallateGlycylleucine2-(Ethylsulfanyl)-5-fluoro-4(3H)-pyrimidinoneLys-Arg7-MethylguanineGly-His-LysDaidzein 4'-sulfate1-Naphthol .beta.-D-glucuronideHydroxyisocaproic acid2-(HYDROXYMETHYL)BUTANOIC ACIDMethanone, [6-hydroxy-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenyl-DesmethyleneparoxetinePseudolaric Acid BN-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acidSpiro[3.3]heptane-2,2-dicarboxylic acidTrichodermamide C1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)Ethyl 4-hydroxybenzoate1-Hydroxy-1-(hydroxymethyl)-8,8-dimethyl-2-oxo-4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-5-carboxylic acidMethyl β-D-GalactopyranosideBisphenol S6-Hydroxynicotinic acid2-(Chloromethyl)-6,7-dimethoxyquinazolin-4-olAla-AspSuccinic_anhydrideN-Caffeoyl-O-methyltyramineN-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-methylbenzamideGarcinone DGivinostatMESGarcinone CDL-Isocitric acid lactone3-Cyclohexyl-2-hydroxypropanoic acidHelvolic acidN-StearoyltaurineAlanylalanine (Ala-Ala)2-Hydroxy-6-methylpyridine-4-carboxylic acid5-[(Chloroacetyl)amino]-2-hydroxybenzoic acidThieno[3,2-b][1]benzothiophene-2-carboxylic acidCyperanic acid1,3-Butadiene-1,1,3-tricarbonitrile, 2-amino-4-(3,4,5-trihydroxyphenyl)-, (3Z)-N-(2-Phenoxyphenyl)methanesulfonamideTriptophenolide5-Nitrobarbituric acid(2R)-2,4-Dihydroxy-3,3-dimethylbutanoic acid1,2,4-Triazin-5-amine, N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-2',4',6'-TrihydroxyacetophenoneAustocystin BMethyl 2,4-dihydroxy-6-[(3Z,5Z)-nona-3,5-dienyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzoateThymine2-(Hydroxymethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-oneMoclobemideStercobilinSpirodihydrobenzofuranlactam IV2-Hydroxyglutaric acid3-Oxo-1,8-octanedicarboxylic acidTamsulosin3-(1H-benzimidazol-2-yl)-2H-indazoleSarcosine16-Hydroxypalmitic acidTaurine((6-O-Hexopyranosylhexopyranosyl)oxy)(phenyl)acetonitrileZalcitabine4-hydroxy-1H-indole-3-carbaldehydeLPG(18:1(9Z))2,3-Dihydroxy-3-methylbutyric acid2-(2-Butoxyethoxy)acetic acid2-Aminonicotinic acidProbucolMaltobionateMaclurinTrifluoroacetic acid2-Isobutyl-1,3-dioxo-2,3-dihydro-1H-Isoindole-5-carboxylic acid3-[5-Hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acidBenzenesulfonamide, 4-[[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino]-Sakyomicin A3-(Hepta-1,3-dienyl)hexanedioic acidN-Acryloyl-DL-aspartic acid5-Norbornene-2-carboxylic acidCholenate.beta.-Casomorphin (1-3), amide5-Hydroxyindole-3-acetic acidCholic acid 7-sulfate5-Methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one2-Hydroxy-6-methoxybenzoic acid4'-Chloro-2-hydroxy-4-methoxybenzophenone1H-Pyrazole-3-carboxamide, 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-PentoxifyllineGanoderic acid BGanoderic acid A2-Thiazolamine, N-(3-methylphenyl)-4-(4-pyridinyl)-4-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dionetrans-Vaccenic acidTetrahydro-2,3,4,5-furantetracarboxylic acid9-Methylxanthinecis-11-Eicosenoic acidPiericidin C1(E)-9-(1,3-Benzodioxol-5-yl)non-8-enoic acid2,8-Dimethyl-2-(.beta.-carboxyethyl)-6-hydroxychromanEglumegad5'-Methylthioinosine8-Geranyl-7-hydroxycoumarin5,2'-DihydroxyflavoneDimethylenastron2-Oxiraneoctanoic acid, .eta.-hydroxy-3-octyl-(4-((1H-Imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanonePrednisolone 21-sulfate2-Aminobutyric acidVal-IleGentisic acidDehydrolithocholic acid9-Hydroxynonanoic acid3-(1H-Benzimidazol-2-yl)propanohydrazide2-Hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile1-Amino-1-cyclobutanecarboxylic acidXanthoxylin(2,5-Dioxotetrahydrofuran-3-yl)acetic acidUracil11-Dehydrocorticosterone4-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acidPhloroglucinoltrans-Dehydrocurvularin2,4-Bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylic acidRopinirole5-Aminolevulinic acidAntibiotic FR 901512HemiphloinTunicamycin VFerulate5-AcetyluracilCiprostene2,3-PentanedioneAuranofin3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic acid2',3'-Isopropylideneguanosine(Desmethyl)hydroxycerivastatinOPHTHALMIC ACIDtrans-4-Hydroxycyclohexanecarboxylic acid4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl 6-O-((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)-.beta.-D-glucopyranoside5-DemethylnobiletinAdipic acidTyrosine O-sulfate2-Oxooctanoic acid1-CopyrinolPelanserinLomefloxacinStatine3-hydroxybenzaldehydeO-Desmethylastemizole3-(Trifluoromethyl)phenylalanineVal-ValHalofenozideLPC(13:0)Homovanillic acidUDP-N-acetylglucosamineQuinolinic acidHexacyclinic acid(1R)-4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl 6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranosideGlycohyodeoxycholic acid2-Methyl-3-hydroxybutyric acid4-Ketopimelic acidN-(2-Phosphate-1R-methylethyl)-5Z,8Z,11Z,14Z-eicosatetraenamideThiouric acidArachidonic acid (AA)2'-Hydroxy-5'-methylacetophenonePyruvateGarcinoic acidAcetoinThreonic acidDikegulac acidFludarabineNiflumic acidHeptadecanoic acidDoxycyclineRepaglinide.beta.-D-Glucopyranoside, 4-[(4-carboxy-3-hydroxy-3-methyl-1-oxobutoxy)methyl]phenyl3-Hydroxyphenylacetic acidGlutamineGKK 1032BOlprinone (Hydrochloride)Caproic acidN-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamideDecuroside IVPalmitic acid4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde(2S)-(+)-5,5-Dimethyl-2-morpholineacetic acidBenzamide, 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-AscochitinEthanone, 1-[5-ethyl-2-hydroxy-4-[[6-methyl-6-(2H-tetrazol-5-yl)heptyl]oxy]phenyl]-(4-Aminobutyl)phosphonic acidSaccharopineHydroxysydonic acidThr-TyrEsculinPropionic acid4,6-DihydroxypyrimidineAmlexanoxGlyco-beta-muricholic acidIsoprostaglandin-F2.alpha.-IVGly-ValBenzyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-.beta.-D-glucopyranoside2-Pentenedioic acid, 2-octyl-Ser-AlaDocosahexaenoic acid (DHA)LeonubiastrinZearalanone2,3-Quinoxalinedione, 6-chloro-1,4-dihydro-5,7-Dichloro-2-methyl-1H-indole3-Methoxyphenylacetic acidIsobutyric_acid4-VinylphenolN-Methyl-N-(methylsulfonyl)glycine5-(3,4'-Dihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl)pentanoic acidN-Glycolylneuraminic acid1-DehydroperuvinineAsn-Gly-AsnFlavin mononucleotide (FMN)3-Methylglutaric acidRoyal jelly acid2-(Aminomethyl)-4-methylpentanoic acidEthyl 5-fluoro-3-methyl-1H-indole-2-carboxylateClavulanate1,6-Bis-O-(4-hydroxycinnamoyl)glucoseThr-Leu1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-olIndoleacetic acidN-Arachidonoyl-3-hydroxy-.gamma.-aminobutyric acid2,6-Di-tert-butylphenolHydroxyphenyllactic acid5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfideN-Acetylhistidine2-Indolecarboxylic_acid4-Oxododecanedioic acid4′-Hydroxy-2′-methylacetophenoneXanthineRosellichalasin2-Methoxy-N-(1H-tetraazol-5-yl)benzamideAsp-HisMethyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylatePro-Tyr6-Thioinosine26-Desglucoavenacoside ADibenzo[b,f][1,4]thiazepin-11(10H)-onephellopterin(Sulfanylsulfonyl)methane(12Z,15Z)-7,9,10-Trihydroxyoctadeca-12,15-dienoic acidlactisol3-Hydroxypyruvic acidIsorhamnetin-3,7-di-O-glucosideN-(Aminocarbonyl)-L-phenylalanineVal-Glu7-MethylxanthineIsobutyrylglycine4-Methoxy-2,4-dioxobutanoic acidN-(4,5-Dihydro-1H-imidazol-2-yl)quinoxalin-6-amineN-Phenylacetyl-L-prolylglycine ethyl ester3-Amino-4-methylpentanoic acidIndoxyl sulfate7-O-MethylrutinCys-MetUndecanedioic acid2-Acetoxy-6-p-hydroxybenzoyljaeschkeanadiol1-(2-Chloro-6-fluorobenzyl)piperidine-4-carboxylic acidPro-Asp2-Hydroxy-2-methylbutyric acid4-Hydroxy-2',4',6'-trimethoxychalconeHomononactinic acid3-[(4-Amino-2-quinazolinyl)amino]phenol4H-Thiopyrano[4,3-d]pyrimidin-4-one, 3,5,7,8-tetrahydro-2-[4-(trifluoromethyl)phenyl]-Pentalenolactone OPyruvaldehydeThr-Pro6-Hydroxy-2-methylindolePolyporenic acid C5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid11-trans-LTE42-Butenedioic acid, 1-(1,3,5,5a,6,7,8,9,9a,9b-decahydro-9b-hydroxy-6,6,9a-trimethyl-1-oxonaphtho[1,2-c]furan-5-yl) ester3-Fluoro-7-hydroxy-4-methylcoumarin1,3,4-Trihydroxy-5-[(E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoyl]oxycyclohexane-1-carboxylic acid3-Hydroxysebacic_acid15-Cyclohexylpentanorprostaglandin F2.alpha.2,2-Dimethyl-4,7,10-trioxo-3-oxa-5,8,11-triazatridecan-13-oic acid[3-(hexadecanoyloxy)-2-[icosa-5.8.11-trienoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid1H-Benz[e]indene-6-propanoic acid, dodecahydro-2-hydroxy-7-(1-hydroxy-1-methylethyl)-9b-(methoxycarbonyl)-2,3a,6,9a-tetramethyl-4-methylene-1,3-dioxo-6,15-Diketo-13,14-dihydroprostaglandin F1.alpha.4',6'-Dimethoxy-2'-hydroxy-4-methylchalcone4-Phenylpyrimido[1,2-a]benzimidazol-2(1H)-one2-Hydroxyhexanedioic acidcis-4-Hydroxycyclohexanecarboxylic acidTuberonic acidN-Demethylsambutoxin3-Hydroxystanozolol glucuronide2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine5,10-Dihydro-10-phenophosphazinol 10-oxide1-Piperidinecarboxamide, N-3-pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-Trp-Asp3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserineN-Benzyl-2-naphthalenesulfonamideAcamprosate (calcium)5-Bromo-4-fluoro-2-hydroxybenzoic acid2,6-Dimethyl-4-hydroxybenzaldehyde3-Isopropylmalic acidLatanoprost ethylamideN-Cyclohexyl-2-naphthalenesulfonamideKetoprofen .beta.-D-glucuronide3,3-Dimethylglutaric acid2,4(1H,3H)-QuinazolinedithioneGlu-LeuN-Acetylphenylalanylvaline2-Ketocaproic acidCortisol 21-sulfateN-AcetylvalineCediranib4-Deoxyphloridzin5,7-Dihydroxy-3',4',5'-trimethoxyflavanone5-(3,4-Dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diolGlabridinLys-ValKetologanic acidResveratrol 4'-O-D-glucuronide2,4-Dimethylphenol2',6'-Dihydroxy 4,4'-dimethoxydihydrochalcone(+)-Camphanic acid1-MethylxanthineOctadecanedioic acidSyringic acid3-[(Ethylanilino)methyl]benzenesulfonic acidAlnuside AN-Acetylaspartic acidMesaconic acidL-FucitolN-{4-[(Cyclopropylamino)sulfonyl]phenyl}acetamide6-Methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinolm-Tyramine (hydrobromide)Phellamurin7H-Pyrrolo[3,2-f]quinazoline-1,3-diamineCycloolivilOleic acidGlutaric acid4-Amino-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol3,4-Dihydro-3-oxo-2H-(1,4)-benzoxazin-2-ylacetic acidN-Acetylglutamic acid3-HYDROXYGLUTARIC ACIDQuercetin-3,7,3',4'-tetramethyl etherAltenueneAstringinMethyl 9H-purine-6-carboxylatePseudouridine2-Methyl-N-(4-methylphenyl)benzenesulfonamideTerephthalic-Acid2-Methylglutaric acidGinkgolide AQuinolactacin B5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid2-Hydroxypalmitic acid4-[(3,4,5-Trimethoxybenzoyl)amino]butanoic acidDiethylphosphateIsovaleric acid4-Hydroxymephenytoin7-Keto-8-aminopelargonic acid2-Carbamoylpyridine-3-carboxylic acid(2S)-2-[(2R,3S,7R,8R,8aS)-2,3,4'-Trihydroxy-4,4,7,8a-tetramethyl-6'-oxospiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3,8-dihydrofuro[2,3-e]isoindole]-7'-yl]-3-methylbutanoic acid3-Oxocholic acid18-Chloro-17-hydroxy-5,15-dimethoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-3,8,13-trioneD-PinitolGlu-Ala3-MethylxanthineMethyl 3-[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoate2-[3-[(E)-6-Acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid3-Ethoxy-2-hydroxy-5-nitrobenzaldehyde3-Thiophenecarboxamide, 2-[(aminocarbonyl)amino]-5-(4-fluorophenyl)-ImatinibN-ALPHA-ACETYL-ASPARAGINE4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoic acidBenzamide, N-[(1S)-1-(aminocarbonyl)-4-[(2-fluoro-1-iminoethyl)amino]butyl]-4,8-Dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one2-Aminoisobutyric acid2-Hydroxycyclohexyl 2-O-((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)-.beta.-D-glucopyranosideHomocitric acidXylose1-Benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-oltrans-Epoxysuccinyl-L-leucylamido(4-guanidino)butaneN-Acetylgalactosamine_6-sulfateSulfamethazine3-Oxocyclobutanecarboxylic acidUridine9-Methyluric acidLanceoloside ANilotinibBifonazole2'-Hydroxy-4'-methylacetophenone5-Aminosalicylic Acid3.beta.,7.alpha.-Dihydroxy-5-cholestenoic acid4-HydroxyphenylacetaldehydeMalonic acidcis-Pinonic acidMet-Lys1H-Pyrrole-3-propanoic acid, 5-[(1,2-dihydro-2-oxo-3H-indol-3-ylidene)methyl]-2,4-dimethyl-Equol(2E)-4-Ethoxy-4-oxo-2-butenoic acidFludarabine_phosphate5-KETO-GLUCONIC ACID2-(3,4-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one3-Hydroxypropionic acid (beta-lactic acid)Thr-Ala4'-Hydroxy-3'-methylacetophenoneGly-HisTRICARBALLYLIC ACID1-(2,4-Dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-oneGlucuronic acid3-(N-Maleimidopropionyl)biocytin7-Hydroxy-3-phenoxy-2-(trifluoromethyl)-4H-chromen-4-oneGlycoursodeoxycholic acidChenodeoxycholic acid 3-glucuronide7-MethylrosmanolSophoraside A3.alpha.,4.beta.,3.alpha.-GalactotetraoseHomogentisic acidCyclic adenosine diphosphate-ribose (cADPR)Fumaric acid2-{Bis[4-(dimethylamino)phenyl]methyl}phenol3-(4-Hydroxyphenyl)-3-oxopropyl .beta.-D-glucopyranosideDihydroconiferyl alcoholSulfamonomethoxine5-Amino-2-(5-amino-1,3-benzoxazol-2-yl)phenolMultiflorosidePropentofyllineSucrose6-Bromo-4(1H)-quinazolinoneAcoric acid4-Hydroxy-3-oxo-1,3-dihydronaphtho[2,3-c]furan-5-yl .beta.-D-glucopyranoside4-(4-Cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrileZanamivir2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-Carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acidN6-AcetyllysinePlatanic acid8-Hydroxy-3-(7-hydroxyheptyl)-6-oxo-3,4-dihydroisochromene-7-carboxylic acidDiffractaic acid4-Hydroxy-3-[1-(5-hydroxy-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)ethyl]-2(1H)-quinolinone5,13,15-Trihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dionePropachlor ESA[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoatePhenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-(+)-Fluprostenol5-Ethyl-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile2-Isopropylmalic acid4-(5-Chloro-1,3-benzoxazol-2-yl)benzoic acid6a-Hydroxy-9,10a-dimethoxy-2-(prop-1-en-2-yl)-1,2,12,12a-tetrahydrochromeno[3,4-b]furo[2,3-h]chromene-6,8(6aH,10aH)-dioneThr-Thr5-(4-Acetyloxy-3-hydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydronaphthalen-1-yl)-3-methylpentanoic acid[DAla2] .beta.-Casomorphin (1-3), amide, bovine1-(2-Furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acidRANITIDINEEgtazic acidMethyl 2-((3,7-dihydroxy-9-methoxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxy-1-benzoxocin-8-yl)carbonyl)-3,5-dimethoxybenzoate1-(4-Chlorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione(3.beta.)-Allopregnanolone sulfateN-Acetylglucosamine2-(Hydroxymethyl)-6-methylpyridin-3-olSuberic acidAltamisic acidDefluoroatorvastatin2-(5-Iodo-2-methyl-1H-indol-3-yl)ethanamine6-EthylthiopurineHydroxyacetonePregnanediol 3-O-glucuronide2,6-Dihydroxybenzoic acid1,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-(5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)hexitol2-[[7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triolN-(1H-Benzimidazol-2-yl)-3-nitrobenzamide6''-O-[(E)-p-Coumaroyl]gentiobiosylgenipin4-Fluoro-2,6-dinitrophenolMepacrineCreatinineHis-GluN-BenzoylbenzenesulfonamideAcetovanillone primeverosideLewis A trisaccharide2-Propenoic acid, 3-[2-(.beta.-D-glucopyranosyloxy)-4-methoxyphenyl]-, (2Z)-Gibberellin A79Pimelic acidMethyl 6-(acetyloxy)-1,7,11-trihydroxyabieta-8,11,13-trien-18-oateN6-(2,4-Dinitrophenyl)-L-lysineEmodinMethyl 6-(acetyloxy)-1,3,7,11-tetrahydroxyabieta-8,11,13-trien-18-oateL-Arginine, N2-[2-(2,2-diphenylethoxy)acetyl]-3-(6-Oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)propanoic acidThr-GluHydroheptelidic acidDeoxycholic acid 3-glucuronidePhe(Benzoyl)-Leu-Argcis-9,10-Epoxystearic acid4-Cyanotetrahydropyran-4-carboxylic acidAigialomycin D9,10-Dihydrojasmonic acid3,8-Dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-oneItaconic acidLeu-Leu20-carboxy-LTB42.alpha.-Mannobiose5-Chloro-4(3H)-quinazolinoneGibberellin_A32-Hydroxy-3-methylbutyric acid(Methylsulfanyl)heptyl glucosinolateDiderroside2-Phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one4-(1,3-Oxazol-5-yl)benzoic acid2-oxindole-3-acetate3-(1H-Indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide2-Aminoadipic acid4(3H)-Quinazolinone, 2-[(6-amino-9H-purin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)-2-Amino-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide3-Hydroxyisovaleric acid2-Methyltetrahydrofuran-3-one(12Z)-9,10,11-Trihydroxyoctadec-12-enoic acidPhenethyl rutinoside[Glu1] TRH2-(8-Hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acidLicoricidin5-[(Benzylsulfanyl)methyl]-2-furoic acid1-Formylpyrrolidine-2-carboxylic acidOuabageninPhysanguloside AGlycerophosphoethanolamine3.alpha.,7.alpha.-Dihydroxy-12-oxocholanoic acid2-Hydroxyethanesulfonic acidMarbofloxacin7-Ketolithocholic acidKendomycinHyodeoxycholic acid2-Dec-9-enyl-3-hydroxypentanedioic acid3,4-Diamino-1-benzenesulfonic acid2-((4-Methylpiperazin-1-yl)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ol3-Amino-4-hydroxybenzoic acidButylated hydroxytolueneTrp-Lys[(1S)-1-Benzyl-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridyl]oxy]ethyl]amineEchoside BPhe-HisCys-GlnAllantoin8-Hydroxycarbostyril1H-3-Benzazepine-7,8-diol, 6-chloro-2,3,4,5-tetrahydro-1-phenyl-4-(.beta.-D-Glucopyranosyloxy)pentan-2-yl (2E)-3-(4-hydroxyphenyl)prop-2-enoate2-methylcitrate3-Hydroxyhippuric acid4,5-Dimethoxy-2,3-dihydro-1H-isoindole-1,3-dione6-Hydroxynorleucine9-(2,3-Dihydroxypropoxy)-9-oxononanoic acidN2-Acetyllysine1,11-Undecanedicarboxylic acid2-[(2E,6E,10E)-14,15-Dihydroxy-3,7,11,15-tetramethylhexadeca-2,6,10-trienyl]-2,4,6,9-tetrahydroxy-5,7-dimethylphenalene-1,3-dioneCys-TyrKynurenic acidbeta-Alanine(.alpha.S,1S,2R)-.alpha.-Amino-2-carboxycyclopropaneacetic acid5.alpha.-Androstan-3.alpha.,17.beta.-diol-17.beta.-glucuronide3-(Methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid3-((4,7-Dimethyl-1-((1E)-prop-1-en-1-yl)-1,5,6,7,8,8a-hexahydronaphthalen-2-yl)carbonyl)-4-hydroxy-5-(4-hydroxyphenyl)pyridin-2(1H)-onealpha-Ketoisovaleric acid(2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]phosphinic acidMidafotelN-Fluorenylacetamide9-Oxooctadecanoic acid5a-Hydroxy-4-(4-oxoquinazolin-3(4H)-yl)-2-(propan-2-yl)-4,5,5a,9c-tetrahydro-3H-2a,9b-diazacyclopenta[jk]fluorene-1,3(2H)-dione(2Z,6E,10Z)-12-Acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acidAurantiamine2-(3-Hydroxy-5-oxotetrahydrofuran-3-yl)propyl 6-O-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)-.beta.-D-glucopyranoside4-HydroxyprolineCholesteryl sulfate2-[(1,3-Thiazol-2-ylamino)carbonyl]cyclohexanecarboxylic acid1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid3-[(Methylsulfonyl)amino]benzoic acidN-(3,4-Dimethoxybenzoyl)-3-(4-fluorophenyl)-.beta.-alanine5-Chloro-2-benzimidazoloneAntipainLariciresinol4-Nitrobenzene-1,3-diol5-(4-Hydroxypentyl)benzene-1,3-diolPhosphate3-Amino-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-oneChrysomycin B3-Methyladipic acid1H-Indazole-3-carboxamide, N-[1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-Pentadecanoic acidChrysomycin AMelittoside1-nitropyreneN,N-Diethyl-3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)benzenesulfonamideGalactinol1,4-D-XylobioseDaphylloside3-Phenylpropanoic acid1,3-Dimethylbarbituric acid1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-Bisindolylmaleimide I2,3-Dinorthromboxane B1Indole-3-propionic acid2-[(4-Hydroxy-2-methylphenyl)(2-methyl-4-oxocyclohexa-2,5-dienylidene)methyl]benzenesulfonic acidGlu-GluBenzoyl-Phe-Ala-Arg(2R,3R,4S,5S,6R)-2-Octoxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol5-(4-Aminophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thioneAla-IleAprobarbitalN-(2,3-Dihydro-1H-inden-5-yl)methanesulfonamideOlaparibAtropic acid(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxideAleuritic acid4-Allylcatechol1,1-Dioxo-1,2-thiazolidine-3-carboxylic acid2-Amino-5-ethyl-6-methyl-4(3H)-pyrimidinonebeta-Muricholic acid3-Hydroxy-2-octylpentanedioic acid5-Amino-3-(methylthio)-1H-pyrazole-4-carbonitrile5-(4-Chlorobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione3-(3-Hydroxyphenyl)propanoic acidIle-Leu1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-one3-Hydroxyacetophenone2-[2-(2-Methoxyethoxy)ethoxy]acetic acid12-Methyltridecanoic acidBYSSOCHLAMIC_ACID1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol)3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-oneMyristic acid5-Sulfosalicylic acidCladribine(-)-CatechinHypoxanthineMethyl caffeategamma-Linolenic acidPyrithiobacNevirapinealpha-Linolenic acid2-[4-(2-Thienylcarbonyl)phenyl]propanoic acidPivagabineCyclopropanecarboxamide, N-[(1S)-2-[4-(5-bromo-2,3-dihydro-2-oxo-1H-benzimidazol-1-yl)-1-piperidinyl]-1-methylethyl]-2-phenyl-, (1R,2R)-Methyl 6-(acetyloxy)-7,11-dihydroxy-1-oxoabieta-8,11,13-trien-18-oateSaluamineMycophenolic acid (Drug)2-Phenylethyl 2-O-.beta.-D-xylopyranosyl-.beta.-D-glucopyranosidebeta-Guanidinopropionic acidDarexaban4-tert-Butyl-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazideGly-Ala2-Hydroxybutyric acidNateglinide2-Ethyl-2-hydroxybutyric acidLinuronEplerenone hydroxy acidAdenineGlu-Val-PheLapacholImazosulfuronIsocalolongic acid2-Oxo-S-phenyl-2-(piperidin-1-yl)ethane-1-sulfonamidoIlicicolin H4-(Cyclohexyloxy)-4-oxobutanoic acidtrans-2,5-Bis-(3,4,5-trimethoxyphenyl)-1,3-dioxolaneAla-GlyN-AcetylmethionineMetolachlor ESAEthyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylateLys-GluN-DesethylamodiaquineEthylmalonic acid3-Methylbut-2-enoic acidPhenol, 5-[(1Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-Ethyl 3-hydroxybenzoateAla-GlnAcetylleucineAllocholic acidN-(3-Acetylphenyl)-4-fluorobenzamideEthyl 4-hydroxy-5,8-dimethoxy-3-quinolinecarboxylate4-Hydroxybenzoic acid4-Hydroxy-1-methyl-7,8,9,10-tetrahydro-6H-[1,3]thiazocino[2,3-f]purin-2(1H)-oneSoyasaponin I2-(3-Chlorophenyl)-4-quinolinecarboxylic acidSebacic acid3-Dehydroshikimic acidMethyl β-D-glucopyranoside(2E,4E)-5-(3-(Hexopyranosyloxy)-8-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl)-3-methylpenta-2,4-dienoic acid2-Amino-4,5-difluorobenzoic acidThreitolReynoutrinZoxazolamine2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acidTuranosePicolinic acidPropargylglycine1H-Benz[g]indole-3-carboxylic acid, 2-[(3-chlorophenyl)methyl]-5-hydroxy-, ethyl estermyo-Inositol2,3-Dihydroxybenzoic acid (Pyrocatechuic acid)MannitolPyroglutamic acidN-Methyl-L-threonine2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidine17.beta.-Estradiol 3-.beta.-D-glucuronideN-(5-Chloropyridin-2-yl)-5-propylthiophene-3-carboxamide6-(3,5-Dimethyl-1H-pyrazol-1-yl)-3(2H)-pyridazinone5-Amino-2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-5-oxopentanoic acidDodecanedioic acid(1Z)-1-(3-Ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)acetoneDL-.beta.-(2-Thienyl)serineClovamide3- Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(2- methoxyphenyl)-2-methyl-5-oxo-, 2-methoxyethyl esterOxypaeoniflorin2-((1S,3aR,4S,6S,7R,8aR)-1-Hydroxy-4,8a-dimethyloctahydro-1H-3a,6-epoxyazulen-7-yl)prop-2-enoic acid5-Chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-(1,2,6-trimethyl-5-oxocyclohex-3-en-1-yl)penta-2,4-dienyl]benzaldehydeQuinic acid(±)-EquolAcetamide, 2-(4-benzoylphenoxy)-N-[1-(phenylmethyl)-4-piperidinyl]-Phloroglucinaldehyde2,4-Dihydroxybenzoic acid3-Carboxy-4-methyl-5-propyl-2-furanpropanoic_acid[1,1'-Biphenyl]-2-carboxylic acid, 4'-[[2,3-dimethyl-5-[[[(1S)-1-(4-nitrophenyl)ethyl]amino]carbonyl]-1H-indol-1-yl]methyl]-Tauro-beta-muricholic acidLactate.beta.-Hydroxyphenylalanine2-Hydroxyhexanoic acid10-Hydroxy-7,9-dimethyl-1,3,4,4a,7,7a-hexahydrobenzo[e]naphthalene-2,8,11-trione2-Amino-3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]propionic acidUrsodeoxycholic acidIsocaproic acidOrotic acid2,4-dinitrotolueneN-TigloylglycineMalic acidDocebenone3-(2,4-Dimethoxyanilino)-3-oxopropanoic acidResveratroloside[6]-Gingerdiol_3,5-diacetateErythronolactoneTheanineDigalacturonic acidChrodrimanin BOxypurinol16,16-Dimethyl-6-ketoprostaglandin E1Methionine sulfoxidep-ToluquinoneButanoic acidButaprost (free acid)Raffinose5-{[2-(4-Chlorophenyl)ethyl]amino}-5-oxopentanoic acidAzelaic acid1,3-Cyclohexanedicarboxylic acidPHENACEMIDEPhenol, 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-4-Oxohexanoic acidAspterric acid3-Chloro-6-nitro-9H-carbazole4-(Benzoylamino)benzoic acid2-Hydroxy-5-methylbenzoic acidMefloquineNefiracetam5-(4-Fluoro-3-nitrophenyl)-1H-tetraazole3-Hydroxy-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid4-Ethoxybenzoic acidMethyl (3R,4R,5R)-3,4-dihydroxy-5-((6-O-((2E)-3-phenylprop-2-enoyl)-.beta.-D-glucopyranosyl)oxy)cyclohex-1-ene-1-carboxylate5-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneDeoxycholic acidHydroxytyrosolPsoralenJineolepiyangambinGlycodeoxycholic acidLubiprostone(2,5-Dioxo-1-pyrrolidinyl)acetic acidDinosebfalseIntegrated multi-omics reveals gut microbiota–metabolic mechanisms underlying the neuroprotective effects of Xijiao Dihuang Decoction against cerebral ischemia–reperfusion injuryThis study investigated the effects of Xijiao Dihuang Decoction (XDD) on cerebral ischemia–reperfusion injury using a middle cerebral artery occlusion/reperfusion rat model. Untargeted LC–MS metabolomics was performed on fecal samples to characterize metabolic alterations associated with MCAO/R and XDD treatment. Metabolomic profiles were acquired in both positive- and negative-ion modes and integrated with gut microbiome data to explore microbiota–metabolite associations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