Metabolites 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.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["Chromatographic 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.
"],"publication":["Integrated multi-omics reveals gut microbiota–metabolic mechanisms underlying the neuroprotective effects of Xijiao Dihuang Decoction against cerebral ischemia–reperfusion injury."],"submitter_name":["Yuyan Long"],"submitter_affiliation":["Hunan University of Chinese Medicine"],"organism_part":["feces"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Approximately 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.
"],"organism":["Rattus norvegicus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15783"],"author":["Yuyan Long. Hunan University of Chinese Medicine. 1069815871@qq.com."],"data_transformation_protocol":["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.
"],"study_factor":["Treatment"],"submitter_email":["1069815871@qq.com"],"sample_collection_protocol":["Fecal samples were collected under sterile conditions and immediately stored at −80 °C until untargeted metabolomics analysis.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","Metabolomics","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Rattus norvegicus","quality control sample","feces","ischemic stroke","experimental sample","untargeted metabolite profiling"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","Metabolomics","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","Rattus norvegicus","quality control sample","feces","ischemic stroke","experimental sample","untargeted metabolite profiling"],"mass_spectrometry_protocol":["Mass 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.
"],"metabolite_name":["(2-{[2-[hexadec-9-enoyloxy]-3-(tetradecanoyloxy)propyl phosphonato]oxy}ethyl)trimethylazanium","2-Fluoro-4'-hydroxybenzophenone","Schaftoside","2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID","1H-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-methylaminoethanone","2-Keto-3-deoxygluconic acid","1H-Indole-3-carboxamide, 1-(5-fluoropentyl)-N-1-naphthalenyl-","3-Amino-3-(3-bromo-4-fluorophenyl)propanoic acid","2-Decyl-3-hydroxypentanedioic acid","Lonchocarpin","Myrocin A","4-Chloro-1H-benzotriazol-1-ol","Indole-3-methyl acetate","Ethyl gallate","Ketoleucine","5-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 210972","3-(3,4-Dimethoxyphenyl)-7-hydroxy-4-phenylcoumarin","Citrulline","Glycolate","Gly-Gly-Leu","3.alpha.,6.alpha.-Mannotriose","12-Oxoleukotriene B4","Deacylgymnemic acid","4-Hydroxybenzaldehyde","N2-Acetylornithine","(2S)-2-[[(1S)-1-Carboxy-3-methylbutyl]carbamoylamino]glutaric acid","Cholic acid 3-glucuronide","2-[(3-Nitrobenzoyl)amino]benzoic acid","Cauloside C","Mevalonic acid","Soyasaponin Ba","Ser-Glu","Pracinostat","Tyr-Gly-Tyr","N-[(4-Chlorophenyl)methyl]-3-(furan-2-yl)-1H-1,2,4-triazol-5-amine","Pro-Gln","Hydroferulic acid","1H-2-Benzopyran-7-butanoic acid, 6,8-dihydroxy-.alpha.,.gamma.-dimethoxy-3-methyl-1-oxo-, methyl ester","2-Furanacetic acid, tetrahydro-5-(2-hydroxypropyl)-.alpha.-methyl-, 2-[5-(1-carboxyethyl)tetrahydro-2-furanyl]-1-methylethyl ester","Piperonylic acid","Maltopentaose","Leu-Gly-Leu","7-((6-Deoxy-.alpha.-L-mannopyranosyl)oxy)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 3-O-acetyl-6-deoxy-.alpha.-L-mannopyranoside","O-Desmethylmycophenolic acid","Gln-Leu","Quinolin-7-ol","3-(2-Hydroxyphenyl)propanoic acid","5-(Acetylamino)-2-hydroxybenzoic acid","5-Hydroxyhexanoic acid","Kainic acid","N-Acetylneuraminic acid","Pantothenic acid","Hygric 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-hydroxybenzoate","Allolithocholic acid","4-(1H-Benzimidazol-2-yl)-1,2,5-oxadiazol-3-ylamine","Leu-Val","Soyasaponin II","2-Prenylhydroquinone-1-glucoside","Crocin 3","Acetylglycine","Vanillic acid","Glycine, 1,1'-(1,8-dioxo-1,8-octanediyl)bis[glycyl-","HEPTANOIC ACID","1,5-Isoquinolinediol","Phthalic acid","N-.alpha.-(tert-Butoxycarbonyl)-L-glutamic acid","Homoveratric acid","Tafluprost","3-Dehydroquinic acid","2-Phenyllactic acid","Docosapentaenoic acid (DPA)","Hederoside F","4-Acetamidobutyric acid","Unguinol","3-Hydroxybenzoic acid","Auranticin A","3,5-Dimethyl-1H-pyrazole-4-carboxylic acid","N-(p-Methoxybenzenesulfonyl)glycine","5-Phenylisoxazol-3-ol","cis-11.14-Eicosadienoic acid","4-(Methylamino)butanoic acid","7-Hydroxy-6-methoxy-3-methyl-5-(propan-2-ylidene)furo[2,3,4-de]chromen-2(5H)-one","DL-2-Methylglutamic acid","Monomethyl fumarate","Tiaprost","Cyclopentanehexanoic acid, 2-[(2Z)-4-carboxy-2-buten-1-yl]-3,5-dihydroxy-.gamma.-oxo-, (1R,2R,3S,5S)-","2-Hydroxy-4-methoxybenzoic acid","N-(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 acid","Hexanoic acid, 5-(acetylamino)-4-oxo-","Averantin","5-ketocaproate","9-Nitro-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4,6-dicarboxylic acid","4(3H)-Quinazolinone, 2-[(phenylmethyl)thio]-","2,3,4-Trihydroxybenzaldehyde (4-chlorophenyl)hydrazone","3-[(Acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid","Eupatilin","Cyclopropylacetic acid","3-[(3-Carboxypropanoyl)amino]benzoic acid","Cys-Gly-Cys","N-3,4-Tridhydroxybenzamide","Cortisone_acetate","Lithocholic acid 3-sulfate","Benzoic acid","1-Isopropyl-1H-benzimidazole-5-carboxylic acid","N-Acetylcitrulline","Trp-Glu","Methylsuccinic acid","Tetradecanedioic acid","Traumatic acid","Glycolithocholic acid 3-sulfate","7-Methyl[1,2,4]triazolo[4,3-a]pyrimidin-5-ol","O-Acetylserine","(4-Oxo-1,3-thiazolidin-3-yl)acetic acid","GLUCOSAMINE 6-SULFATE","6-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 acid","2'-Hydroxy-2,4,4',6'-tetramethoxychalcone","5-Hydroxymethylfurfural","(2R)-6-Oxo-2-piperidinecarboxylic acid","(5-Chloro-1H-benzimidazol-2-yl)methanol","Benzoic acid, 4-hydroxy-3-[[2-(4-tricyclo[3.3.1.1(3,7)]dec-1-ylphenoxy)acetyl]amino]-, methyl ester","Trp-Gln","1-Stearoyl-2-docosahexaenoyl-sn-glycero-3-phospho-(1'-sn-glycerol)","Endothal","Benzamide, 2-chloro-5-nitro-N-phenyl-","2-Ketobutyric acid","Panglimycin E","5-Chloro-2,4-dihydroxy-3-[(E)-4-hydroxy-3-(hydroxymethyl)-5-(1,2,6-trimethyl-3-oxocyclohexyl)pent-2-enyl]-6-methylbenzaldehyde","Tricin methyl ether","Isodeoxycholic acid","4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]butanoic acid","N-(1H-Benzimidazol-2-yl)-4-fluorobenzamide","N-(tert-Butoxycarbonyl)tryptophan","3-[[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-dione","Tetrahydroharman-3-carboxylic acid","Lovastatin hydroxy acid","Valeric acid","N-Lauroyl-D-erythro-sphingosylphosphorylcholine","(-)-Aromadendrin","Butyllactate","Abexinostat","[1-(3,4-Dihydroxy-5-methoxyphenyl)-7-(3,4-dihydroxyphenyl)heptan-3-yl] acetate","5-Hydroxy-3,4-dihydro-2(1H)-quinolinone","3-(3-Chlorophenyl)-2,4-imidazolidinedione","5-(9-Anthrylmethylene)-2,4,6(1H,3H,5H)-pyrimidinetrione","2-Methylbutyrylglycine","Debromohymenialdisine","(7E)-4-Hydroxy-7-(1-hydroxypropan-2-ylidene)octahydro-3,9a-methanocyclopenta[c]oxocine-4(1H)-carboxylic acid","Clebopride (malate)","Trihydroxycholestanoic acid","Prostaglandin 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-dione","4',5,7-Trihydroxy 3,3',6,8-tetramethoxyflavone","17-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 acid","N-Acetylphenylalanine","6-Amino-1-benzyl-5-methylamino-1H-pyrimidine-2,4-dione","cis-4,10,13,16-Docosatetraenoic acid","1-(10Z-Heptadecenoyl)-sn-glycero-3-phospho-(1'-rac-glycerol)","2-Amino-5,5,5-trifluoropentanoic acid","Epiafzelechin (2R,3R)(-)","3-Methyl-2-oxovaleric acid","Desaminotyrosine","1-[3-(Acetylsulfanyl)propanoyl]-6-methyl-2-piperidinecarboxylic acid","n-Propyl gallate","Glycylleucine","2-(Ethylsulfanyl)-5-fluoro-4(3H)-pyrimidinone","Lys-Arg","7-Methylguanine","Gly-His-Lys","Daidzein 4'-sulfate","1-Naphthol .beta.-D-glucuronide","Hydroxyisocaproic acid","2-(HYDROXYMETHYL)BUTANOIC ACID","Methanone, [6-hydroxy-1-[2-(4-morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenyl-","Desmethyleneparoxetine","Pseudolaric Acid B","N-[Tris(hydroxymethyl)methyl]-3-amino-2-hydroxypropanesulfonic acid","Spiro[3.3]heptane-2,2-dicarboxylic acid","Trichodermamide C","1-Stearoyl-2-arachidonoyl-sn-glycero-3-phospho-(1'-myo-inositol)","Ethyl 4-hydroxybenzoate","1-Hydroxy-1-(hydroxymethyl)-8,8-dimethyl-2-oxo-4a,6a,7,9-tetrahydro-4H-pentaleno[1,6a-c]pyran-5-carboxylic acid","Methyl β-D-Galactopyranoside","Bisphenol S","6-Hydroxynicotinic acid","2-(Chloromethyl)-6,7-dimethoxyquinazolin-4-ol","Ala-Asp","Succinic_anhydride","N-Caffeoyl-O-methyltyramine","N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinyl)-N-methylbenzamide","Garcinone D","Givinostat","MES","Garcinone C","DL-Isocitric acid lactone","3-Cyclohexyl-2-hydroxypropanoic acid","Helvolic acid","N-Stearoyltaurine","Alanylalanine (Ala-Ala)","2-Hydroxy-6-methylpyridine-4-carboxylic acid","5-[(Chloroacetyl)amino]-2-hydroxybenzoic acid","Thieno[3,2-b][1]benzothiophene-2-carboxylic acid","Cyperanic acid","1,3-Butadiene-1,1,3-tricarbonitrile, 2-amino-4-(3,4,5-trihydroxyphenyl)-, (3Z)-","N-(2-Phenoxyphenyl)methanesulfonamide","Triptophenolide","5-Nitrobarbituric acid","(2R)-2,4-Dihydroxy-3,3-dimethylbutanoic acid","1,2,4-Triazin-5-amine, N-([1,1'-biphenyl]-4-ylmethyl)-6-phenyl-3-(2-pyridinyl)-","2',4',6'-Trihydroxyacetophenone","Austocystin B","Methyl 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]benzoate","Thymine","2-(Hydroxymethyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one","Moclobemide","Stercobilin","Spirodihydrobenzofuranlactam IV","2-Hydroxyglutaric acid","3-Oxo-1,8-octanedicarboxylic acid","Tamsulosin","3-(1H-benzimidazol-2-yl)-2H-indazole","Sarcosine","16-Hydroxypalmitic acid","Taurine","((6-O-Hexopyranosylhexopyranosyl)oxy)(phenyl)acetonitrile","Zalcitabine","4-hydroxy-1H-indole-3-carbaldehyde","LPG(18:1(9Z))","2,3-Dihydroxy-3-methylbutyric acid","2-(2-Butoxyethoxy)acetic acid","2-Aminonicotinic acid","Probucol","Maltobionate","Maclurin","Trifluoroacetic acid","2-Isobutyl-1,3-dioxo-2,3-dihydro-1H-Isoindole-5-carboxylic acid","3-[5-Hydroxy-7-methoxy-2,3-dimethyl-6-(3-methylbut-2-enyl)-4-oxo-2,3-dihydrochromen-8-yl]hexanoic acid","Benzenesulfonamide, 4-[[6-(cyclohexylmethoxy)-9H-purin-2-yl]amino]-","Sakyomicin A","3-(Hepta-1,3-dienyl)hexanedioic acid","N-Acryloyl-DL-aspartic acid","5-Norbornene-2-carboxylic acid","Cholenate",".beta.-Casomorphin (1-3), amide","5-Hydroxyindole-3-acetic acid","Cholic acid 7-sulfate","5-Methoxy-4-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one","2-Hydroxy-6-methoxybenzoic acid","4'-Chloro-2-hydroxy-4-methoxybenzophenone","1H-Pyrazole-3-carboxamide, 5-(5-chloro-2,4-dihydroxyphenyl)-N-ethyl-4-(4-methoxyphenyl)-","Pentoxifylline","Ganoderic acid B","Ganoderic acid A","2-Thiazolamine, N-(3-methylphenyl)-4-(4-pyridinyl)-","4-Hydroxy-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione","trans-Vaccenic acid","Tetrahydro-2,3,4,5-furantetracarboxylic acid","9-Methylxanthine","cis-11-Eicosenoic acid","Piericidin C1","(E)-9-(1,3-Benzodioxol-5-yl)non-8-enoic acid","2,8-Dimethyl-2-(.beta.-carboxyethyl)-6-hydroxychroman","Eglumegad","5'-Methylthioinosine","8-Geranyl-7-hydroxycoumarin","5,2'-Dihydroxyflavone","Dimethylenastron","2-Oxiraneoctanoic acid, .eta.-hydroxy-3-octyl-","(4-((1H-Imidazol-2-yl)methyl)piperidin-1-yl)(4'-fluoro-[1,1'-biphenyl]-4-yl)methanone","Prednisolone 21-sulfate","2-Aminobutyric acid","Val-Ile","Gentisic acid","Dehydrolithocholic acid","9-Hydroxynonanoic acid","3-(1H-Benzimidazol-2-yl)propanohydrazide","2-Hydroxy-6-methyl-4-(trifluoromethyl)nicotinonitrile","1-Amino-1-cyclobutanecarboxylic acid","Xanthoxylin","(2,5-Dioxotetrahydrofuran-3-yl)acetic acid","Uracil","11-Dehydrocorticosterone","4-[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy-2,3-dihydroxy-2-methylbutanoic acid","Phloroglucinol","trans-Dehydrocurvularin","2,4-Bis(4-hydroxyphenyl)cyclobutane-1,3-dicarboxylic acid","Ropinirole","5-Aminolevulinic acid","Antibiotic FR 901512","Hemiphloin","Tunicamycin V","Ferulate","5-Acetyluracil","Ciprostene","2,3-Pentanedione","Auranofin","3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic acid","2',3'-Isopropylideneguanosine","(Desmethyl)hydroxycerivastatin","OPHTHALMIC ACID","trans-4-Hydroxycyclohexanecarboxylic acid","4-Hydroxy-3-(3-methylbut-2-en-1-yl)phenyl 6-O-((2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)-.beta.-D-glucopyranoside","5-Demethylnobiletin","Adipic acid","Tyrosine O-sulfate","2-Oxooctanoic acid","1-Copyrinol","Pelanserin","Lomefloxacin","Statine","3-hydroxybenzaldehyde","O-Desmethylastemizole","3-(Trifluoromethyl)phenylalanine","Val-Val","Halofenozide","LPC(13:0)","Homovanillic acid","UDP-N-acetylglucosamine","Quinolinic acid","Hexacyclinic acid","(1R)-4-(3-Hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl 6-O-.beta.-D-glucopyranosyl-.beta.-D-glucopyranoside","Glycohyodeoxycholic acid","2-Methyl-3-hydroxybutyric acid","4-Ketopimelic acid","N-(2-Phosphate-1R-methylethyl)-5Z,8Z,11Z,14Z-eicosatetraenamide","Thiouric acid","Arachidonic acid (AA)","2'-Hydroxy-5'-methylacetophenone","Pyruvate","Garcinoic acid","Acetoin","Threonic acid","Dikegulac acid","Fludarabine","Niflumic acid","Heptadecanoic acid","Doxycycline","Repaglinide",".beta.-D-Glucopyranoside, 4-[(4-carboxy-3-hydroxy-3-methyl-1-oxobutoxy)methyl]phenyl","3-Hydroxyphenylacetic acid","Glutamine","GKK 1032B","Olprinone (Hydrochloride)","Caproic acid","N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-methylbenzamide","Decuroside IV","Palmitic acid","4-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde","(2S)-(+)-5,5-Dimethyl-2-morpholineacetic acid","Benzamide, 4-[4-(1,3-benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl]-","Ascochitin","Ethanone, 1-[5-ethyl-2-hydroxy-4-[[6-methyl-6-(2H-tetrazol-5-yl)heptyl]oxy]phenyl]-","(4-Aminobutyl)phosphonic acid","Saccharopine","Hydroxysydonic acid","Thr-Tyr","Esculin","Propionic acid","4,6-Dihydroxypyrimidine","Amlexanox","Glyco-beta-muricholic acid","Isoprostaglandin-F2.alpha.-IV","Gly-Val","Benzyl 6-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-.beta.-D-glucopyranoside","2-Pentenedioic acid, 2-octyl-","Ser-Ala","Docosahexaenoic acid (DHA)","Leonubiastrin","Zearalanone","2,3-Quinoxalinedione, 6-chloro-1,4-dihydro-","5,7-Dichloro-2-methyl-1H-indole","3-Methoxyphenylacetic acid","Isobutyric_acid","4-Vinylphenol","N-Methyl-N-(methylsulfonyl)glycine","5-(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 acid","N-Glycolylneuraminic acid","1-Dehydroperuvinine","Asn-Gly-Asn","Flavin mononucleotide (FMN)","3-Methylglutaric acid","Royal jelly acid","2-(Aminomethyl)-4-methylpentanoic acid","Ethyl 5-fluoro-3-methyl-1H-indole-2-carboxylate","Clavulanate","1,6-Bis-O-(4-hydroxycinnamoyl)glucose","Thr-Leu","1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol","Indoleacetic acid","N-Arachidonoyl-3-hydroxy-.gamma.-aminobutyric acid","2,6-Di-tert-butylphenol","Hydroxyphenyllactic acid","5-(Phenoxymethyl)-4-phenyl-4H-1,2,4-triazol-3-yl hydrosulfide","N-Acetylhistidine","2-Indolecarboxylic_acid","4-Oxododecanedioic acid","4′-Hydroxy-2′-methylacetophenone","Xanthine","Rosellichalasin","2-Methoxy-N-(1H-tetraazol-5-yl)benzamide","Asp-His","Methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate","Pro-Tyr","6-Thioinosine","26-Desglucoavenacoside A","Dibenzo[b,f][1,4]thiazepin-11(10H)-one","phellopterin","(Sulfanylsulfonyl)methane","(12Z,15Z)-7,9,10-Trihydroxyoctadeca-12,15-dienoic acid","lactisol","3-Hydroxypyruvic acid","Isorhamnetin-3,7-di-O-glucoside","N-(Aminocarbonyl)-L-phenylalanine","Val-Glu","7-Methylxanthine","Isobutyrylglycine","4-Methoxy-2,4-dioxobutanoic acid","N-(4,5-Dihydro-1H-imidazol-2-yl)quinoxalin-6-amine","N-Phenylacetyl-L-prolylglycine ethyl ester","3-Amino-4-methylpentanoic acid","Indoxyl sulfate","7-O-Methylrutin","Cys-Met","Undecanedioic acid","2-Acetoxy-6-p-hydroxybenzoyljaeschkeanadiol","1-(2-Chloro-6-fluorobenzyl)piperidine-4-carboxylic acid","Pro-Asp","2-Hydroxy-2-methylbutyric acid","4-Hydroxy-2',4',6'-trimethoxychalcone","Homononactinic acid","3-[(4-Amino-2-quinazolinyl)amino]phenol","4H-Thiopyrano[4,3-d]pyrimidin-4-one, 3,5,7,8-tetrahydro-2-[4-(trifluoromethyl)phenyl]-","Pentalenolactone O","Pyruvaldehyde","Thr-Pro","6-Hydroxy-2-methylindole","Polyporenic acid C","5-Benzoyl-4-hydroxy-2-methoxybenzenesulfonic acid","11-trans-LTE4","2-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) ester","3-Fluoro-7-hydroxy-4-methylcoumarin","1,3,4-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 acid","3-Hydroxysebacic_acid","15-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 acid","1H-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-methylchalcone","4-Phenylpyrimido[1,2-a]benzimidazol-2(1H)-one","2-Hydroxyhexanedioic acid","cis-4-Hydroxycyclohexanecarboxylic acid","Tuberonic acid","N-Demethylsambutoxin","3-Hydroxystanozolol glucuronide","2-Linoleoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine","5,10-Dihydro-10-phenophosphazinol 10-oxide","1-Piperidinecarboxamide, N-3-pyridinyl-4-[[3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methyl]-","Trp-Asp","3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid","2-Docosahexaenoyl-1-stearoyl-sn-glycero-3-phosphoserine","N-Benzyl-2-naphthalenesulfonamide","Acamprosate (calcium)","5-Bromo-4-fluoro-2-hydroxybenzoic acid","2,6-Dimethyl-4-hydroxybenzaldehyde","3-Isopropylmalic acid","Latanoprost ethylamide","N-Cyclohexyl-2-naphthalenesulfonamide","Ketoprofen .beta.-D-glucuronide","3,3-Dimethylglutaric acid","2,4(1H,3H)-Quinazolinedithione","Glu-Leu","N-Acetylphenylalanylvaline","2-Ketocaproic acid","Cortisol 21-sulfate","N-Acetylvaline","Cediranib","4-Deoxyphloridzin","5,7-Dihydroxy-3',4',5'-trimethoxyflavanone","5-(3,4-Dihydroxyphenyl)-6,7-dimethyl-5,6,7,8-tetrahydronaphthalene-2,3-diol","Glabridin","Lys-Val","Ketologanic acid","Resveratrol 4'-O-D-glucuronide","2,4-Dimethylphenol","2',6'-Dihydroxy 4,4'-dimethoxydihydrochalcone","(+)-Camphanic acid","1-Methylxanthine","Octadecanedioic acid","Syringic acid","3-[(Ethylanilino)methyl]benzenesulfonic acid","Alnuside A","N-Acetylaspartic acid","Mesaconic acid","L-Fucitol","N-{4-[(Cyclopropylamino)sulfonyl]phenyl}acetamide","6-Methyl-2-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinol","m-Tyramine (hydrobromide)","Phellamurin","7H-Pyrrolo[3,2-f]quinazoline-1,3-diamine","Cycloolivil","Oleic acid","Glutaric acid","4-Amino-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol","3,4-Dihydro-3-oxo-2H-(1,4)-benzoxazin-2-ylacetic acid","N-Acetylglutamic acid","3-HYDROXYGLUTARIC ACID","Quercetin-3,7,3',4'-tetramethyl ether","Altenuene","Astringin","Methyl 9H-purine-6-carboxylate","Pseudouridine","2-Methyl-N-(4-methylphenyl)benzenesulfonamide","Terephthalic-Acid","2-Methylglutaric acid","Ginkgolide A","Quinolactacin B","5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","2-Hydroxypalmitic acid","4-[(3,4,5-Trimethoxybenzoyl)amino]butanoic acid","Diethylphosphate","Isovaleric acid","4-Hydroxymephenytoin","7-Keto-8-aminopelargonic acid","2-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 acid","3-Oxocholic acid","18-Chloro-17-hydroxy-5,15-dimethoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(18),14,16-triene-3,8,13-trione","D-Pinitol","Glu-Ala","3-Methylxanthine","Methyl 3-[4-hydroxy-2-(2-methylpropyl)-1-oxo-3,3a-dihydro-2H-imidazo[1,2-a]indol-4-yl]-2-(4-oxoquinazolin-3-yl)propanoate","2-[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 acid","3-Ethoxy-2-hydroxy-5-nitrobenzaldehyde","3-Thiophenecarboxamide, 2-[(aminocarbonyl)amino]-5-(4-fluorophenyl)-","Imatinib","N-ALPHA-ACETYL-ASPARAGINE","4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoic acid","Benzamide, 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-one","2-Aminoisobutyric acid","2-Hydroxycyclohexyl 2-O-((2E)-3-(4-hydroxyphenyl)prop-2-enoyl)-.beta.-D-glucopyranoside","Homocitric acid","Xylose","1-Benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol","trans-Epoxysuccinyl-L-leucylamido(4-guanidino)butane","N-Acetylgalactosamine_6-sulfate","Sulfamethazine","3-Oxocyclobutanecarboxylic acid","Uridine","9-Methyluric acid","Lanceoloside A","Nilotinib","Bifonazole","2'-Hydroxy-4'-methylacetophenone","5-Aminosalicylic Acid","3.beta.,7.alpha.-Dihydroxy-5-cholestenoic acid","4-Hydroxyphenylacetaldehyde","Malonic acid","cis-Pinonic acid","Met-Lys","1H-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 acid","Fludarabine_phosphate","5-KETO-GLUCONIC ACID","2-(3,4-Dihydroxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-7-hydroxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one","3-Hydroxypropionic acid (beta-lactic acid)","Thr-Ala","4'-Hydroxy-3'-methylacetophenone","Gly-His","TRICARBALLYLIC ACID","1-(2,4-Dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","Glucuronic acid","3-(N-Maleimidopropionyl)biocytin","7-Hydroxy-3-phenoxy-2-(trifluoromethyl)-4H-chromen-4-one","Glycoursodeoxycholic acid","Chenodeoxycholic acid 3-glucuronide","7-Methylrosmanol","Sophoraside A","3.alpha.,4.beta.,3.alpha.-Galactotetraose","Homogentisic acid","Cyclic adenosine diphosphate-ribose (cADPR)","Fumaric acid","2-{Bis[4-(dimethylamino)phenyl]methyl}phenol","3-(4-Hydroxyphenyl)-3-oxopropyl .beta.-D-glucopyranoside","Dihydroconiferyl alcohol","Sulfamonomethoxine","5-Amino-2-(5-amino-1,3-benzoxazol-2-yl)phenol","Multifloroside","Propentofylline","Sucrose","6-Bromo-4(1H)-quinazolinone","Acoric acid","4-Hydroxy-3-oxo-1,3-dihydronaphtho[2,3-c]furan-5-yl .beta.-D-glucopyranoside","4-(4-Cyano-2-fluorophenyl)-2-morpholino-5-(1H-1,2,4-triazol-5-yl)thiophene-3-carbonitrile","Zanamivir","2-[(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 acid","N6-Acetyllysine","Platanic acid","8-Hydroxy-3-(7-hydroxyheptyl)-6-oxo-3,4-dihydroisochromene-7-carboxylic acid","Diffractaic acid","4-Hydroxy-3-[1-(5-hydroxy-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)ethyl]-2(1H)-quinolinone","5,13,15-Trihydroxy-9-methyl-10-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","Propachlor ESA","[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl] 4-methoxybenzoate","Phenol, 3-[4-(4-morpholinyl)pyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl]-","(+)-Fluprostenol","5-Ethyl-7-hydroxy-2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile","2-Isopropylmalic acid","4-(5-Chloro-1,3-benzoxazol-2-yl)benzoic acid","6a-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)-dione","Thr-Thr","5-(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, bovine","1-(2-Furanylmethyl)-5-oxo-3-pyrrolidinecarboxylic acid","RANITIDINE","Egtazic acid","Methyl 2-((3,7-dihydroxy-9-methoxy-2-methyl-3,4,5,6-tetrahydro-2H-2,6-epoxy-1-benzoxocin-8-yl)carbonyl)-3,5-dimethoxybenzoate","1-(4-Chlorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione","(3.beta.)-Allopregnanolone sulfate","N-Acetylglucosamine","2-(Hydroxymethyl)-6-methylpyridin-3-ol","Suberic acid","Altamisic acid","Defluoroatorvastatin","2-(5-Iodo-2-methyl-1H-indol-3-yl)ethanamine","6-Ethylthiopurine","Hydroxyacetone","Pregnanediol 3-O-glucuronide","2,6-Dihydroxybenzoic acid","1,5-Anhydro-2-O-(6-deoxyhexopyranosyl)-1-(5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-4H-chromen-8-yl)hexitol","2-[[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-triol","N-(1H-Benzimidazol-2-yl)-3-nitrobenzamide","6''-O-[(E)-p-Coumaroyl]gentiobiosylgenipin","4-Fluoro-2,6-dinitrophenol","Mepacrine","Creatinine","His-Glu","N-Benzoylbenzenesulfonamide","Acetovanillone primeveroside","Lewis A trisaccharide","2-Propenoic acid, 3-[2-(.beta.-D-glucopyranosyloxy)-4-methoxyphenyl]-, (2Z)-","Gibberellin A79","Pimelic acid","Methyl 6-(acetyloxy)-1,7,11-trihydroxyabieta-8,11,13-trien-18-oate","N6-(2,4-Dinitrophenyl)-L-lysine","Emodin","Methyl 6-(acetyloxy)-1,3,7,11-tetrahydroxyabieta-8,11,13-trien-18-oate","L-Arginine, N2-[2-(2,2-diphenylethoxy)acetyl]-","3-(6-Oxopyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7(6H)-yl)propanoic acid","Thr-Glu","Hydroheptelidic acid","Deoxycholic acid 3-glucuronide","Phe(Benzoyl)-Leu-Arg","cis-9,10-Epoxystearic acid","4-Cyanotetrahydropyran-4-carboxylic acid","Aigialomycin D","9,10-Dihydrojasmonic acid","3,8-Dihydroxy-1-methoxy-4-(1,3,4-trihydroxybutan-2-yl)xanthen-9-one","Itaconic acid","Leu-Leu","20-carboxy-LTB4","2.alpha.-Mannobiose","5-Chloro-4(3H)-quinazolinone","Gibberellin_A3","2-Hydroxy-3-methylbutyric acid","(Methylsulfanyl)heptyl glucosinolate","Diderroside","2-Phenyl-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one","4-(1,3-Oxazol-5-yl)benzoic acid","2-oxindole-3-acetate","3-(1H-Indol-4-yl)-N-(3-methoxypropyl)-1,2,4-oxadiazole-5-carboxamide","2-Aminoadipic acid","4(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)acetamide","3-Hydroxyisovaleric acid","2-Methyltetrahydrofuran-3-one","(12Z)-9,10,11-Trihydroxyoctadec-12-enoic acid","Phenethyl rutinoside","[Glu1] TRH","2-(8-Hydroxy-4a,8-dimethyl-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl)prop-2-enoic acid","Licoricidin","5-[(Benzylsulfanyl)methyl]-2-furoic acid","1-Formylpyrrolidine-2-carboxylic acid","Ouabagenin","Physanguloside A","Glycerophosphoethanolamine","3.alpha.,7.alpha.-Dihydroxy-12-oxocholanoic acid","2-Hydroxyethanesulfonic acid","Marbofloxacin","7-Ketolithocholic acid","Kendomycin","Hyodeoxycholic acid","2-Dec-9-enyl-3-hydroxypentanedioic acid","3,4-Diamino-1-benzenesulfonic acid","2-((4-Methylpiperazin-1-yl)methyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4-ol","3-Amino-4-hydroxybenzoic acid","Butylated hydroxytoluene","Trp-Lys","[(1S)-1-Benzyl-2-[[5-(3-methyl-2H-indazol-5-yl)-3-pyridyl]oxy]ethyl]amine","Echoside B","Phe-His","Cys-Gln","Allantoin","8-Hydroxycarbostyril","1H-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-enoate","2-methylcitrate","3-Hydroxyhippuric acid","4,5-Dimethoxy-2,3-dihydro-1H-isoindole-1,3-dione","6-Hydroxynorleucine","9-(2,3-Dihydroxypropoxy)-9-oxononanoic acid","N2-Acetyllysine","1,11-Undecanedicarboxylic acid","2-[(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-dione","Cys-Tyr","Kynurenic acid","beta-Alanine","(.alpha.S,1S,2R)-.alpha.-Amino-2-carboxycyclopropaneacetic acid","5.alpha.-Androstan-3.alpha.,17.beta.-diol-17.beta.-glucuronide","3-(Methylsulfanyl)-4-oxo-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxylic acid","3-((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)-one","alpha-Ketoisovaleric acid","(2-aminoethoxy)[3-[hexadec-1-en-1-yloxy]-2-[icosa-5.8.11.14-tetraenoyloxy]propoxy]phosphinic acid","Midafotel","N-Fluorenylacetamide","9-Oxooctadecanoic acid","5a-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 acid","Aurantiamine","2-(3-Hydroxy-5-oxotetrahydrofuran-3-yl)propyl 6-O-((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl)-.beta.-D-glucopyranoside","4-Hydroxyproline","Cholesteryl sulfate","2-[(1,3-Thiazol-2-ylamino)carbonyl]cyclohexanecarboxylic acid","1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxylic acid","3-[(Methylsulfonyl)amino]benzoic acid","N-(3,4-Dimethoxybenzoyl)-3-(4-fluorophenyl)-.beta.-alanine","5-Chloro-2-benzimidazolone","Antipain","Lariciresinol","4-Nitrobenzene-1,3-diol","5-(4-Hydroxypentyl)benzene-1,3-diol","Phosphate","3-Amino-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one","Chrysomycin B","3-Methyladipic acid","1H-Indazole-3-carboxamide, N-[1-(aminocarbonyl)-2,2-dimethylpropyl]-1-[(4-fluorophenyl)methyl]-","Pentadecanoic acid","Chrysomycin A","Melittoside","1-nitropyrene","N,N-Diethyl-3-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)benzenesulfonamide","Galactinol","1,4-D-Xylobiose","Daphylloside","3-Phenylpropanoic acid","1,3-Dimethylbarbituric acid","1-Piperazinecarboxamide, N-phenyl-4-(3-phenyl-1,2,4-thiadiazol-5-yl)-","Bisindolylmaleimide I","2,3-Dinorthromboxane B1","Indole-3-propionic acid","2-[(4-Hydroxy-2-methylphenyl)(2-methyl-4-oxocyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid","Glu-Glu","Benzoyl-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-triol","5-(4-Aminophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione","Ala-Ile","Aprobarbital","N-(2,3-Dihydro-1H-inden-5-yl)methanesulfonamide","Olaparib","Atropic acid","(1R,4S,5S,6S)-4-Amino-2-thiabicyclo[3.1.0]hexane-4,6-dicarboxylic acid 2,2-dioxide","Aleuritic acid","4-Allylcatechol","1,1-Dioxo-1,2-thiazolidine-3-carboxylic acid","2-Amino-5-ethyl-6-methyl-4(3H)-pyrimidinone","beta-Muricholic acid","3-Hydroxy-2-octylpentanedioic acid","5-Amino-3-(methylthio)-1H-pyrazole-4-carbonitrile","5-(4-Chlorobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione","3-(3-Hydroxyphenyl)propanoic acid","Ile-Leu","1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-one","3-Hydroxyacetophenone","2-[2-(2-Methoxyethoxy)ethoxy]acetic acid","12-Methyltridecanoic acid","BYSSOCHLAMIC_ACID","1-Palmitoyl-2-hydroxy-sn-glycero-3-phospho-(1'-rac-glycerol)","3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-one","Myristic acid","5-Sulfosalicylic acid","Cladribine","(-)-Catechin","Hypoxanthine","Methyl caffeate","gamma-Linolenic acid","Pyrithiobac","Nevirapine","alpha-Linolenic acid","2-[4-(2-Thienylcarbonyl)phenyl]propanoic acid","Pivagabine","Cyclopropanecarboxamide, 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-oate","Saluamine","Mycophenolic acid (Drug)","2-Phenylethyl 2-O-.beta.-D-xylopyranosyl-.beta.-D-glucopyranoside","beta-Guanidinopropionic acid","Darexaban","4-tert-Butyl-N'-[(E)-(2-hydroxynaphthalen-1-yl)methylidene]benzohydrazide","Gly-Ala","2-Hydroxybutyric acid","Nateglinide","2-Ethyl-2-hydroxybutyric acid","Linuron","Eplerenone hydroxy acid","Adenine","Glu-Val-Phe","Lapachol","Imazosulfuron","Isocalolongic acid","2-Oxo-S-phenyl-2-(piperidin-1-yl)ethane-1-sulfonamido","Ilicicolin H","4-(Cyclohexyloxy)-4-oxobutanoic acid","trans-2,5-Bis-(3,4,5-trimethoxyphenyl)-1,3-dioxolane","Ala-Gly","N-Acetylmethionine","Metolachlor ESA","Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate","Lys-Glu","N-Desethylamodiaquine","Ethylmalonic acid","3-Methylbut-2-enoic acid","Phenol, 5-[(1Z)-2-(3,5-dimethoxyphenyl)ethenyl]-2-methoxy-","Ethyl 3-hydroxybenzoate","Ala-Gln","Acetylleucine","Allocholic acid","N-(3-Acetylphenyl)-4-fluorobenzamide","Ethyl 4-hydroxy-5,8-dimethoxy-3-quinolinecarboxylate","4-Hydroxybenzoic acid","4-Hydroxy-1-methyl-7,8,9,10-tetrahydro-6H-[1,3]thiazocino[2,3-f]purin-2(1H)-one","Soyasaponin I","2-(3-Chlorophenyl)-4-quinolinecarboxylic acid","Sebacic acid","3-Dehydroshikimic acid","Methyl 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 acid","2-Amino-4,5-difluorobenzoic acid","Threitol","Reynoutrin","Zoxazolamine","2-Hydroxy-2-(2-methoxy-2-oxoethyl)butanedioic acid","Turanose","Picolinic acid","Propargylglycine","1H-Benz[g]indole-3-carboxylic acid, 2-[(3-chlorophenyl)methyl]-5-hydroxy-, ethyl ester","myo-Inositol","2,3-Dihydroxybenzoic acid (Pyrocatechuic acid)","Mannitol","Pyroglutamic acid","N-Methyl-L-threonine","2-[4-[(2-Phenyl-1H-imidazol-5-yl)methyl]piperazino]pyrimidine","17.beta.-Estradiol 3-.beta.-D-glucuronide","N-(5-Chloropyridin-2-yl)-5-propylthiophene-3-carboxamide","6-(3,5-Dimethyl-1H-pyrazol-1-yl)-3(2H)-pyridazinone","5-Amino-2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-5-oxopentanoic acid","Dodecanedioic acid","(1Z)-1-(3-Ethyl-5-hydroxy-1,3-benzothiazol-2-ylidene)acetone","DL-.beta.-(2-Thienyl)serine","Clovamide","3- Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-(3-hydroxyphenyl)-7-(2- methoxyphenyl)-2-methyl-5-oxo-, 2-methoxyethyl ester","Oxypaeoniflorin","2-((1S,3aR,4S,6S,7R,8aR)-1-Hydroxy-4,8a-dimethyloctahydro-1H-3a,6-epoxyazulen-7-yl)prop-2-enoic acid","5-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]benzaldehyde","Quinic acid","(±)-Equol","Acetamide, 2-(4-benzoylphenoxy)-N-[1-(phenylmethyl)-4-piperidinyl]-","Phloroglucinaldehyde","2,4-Dihydroxybenzoic acid","3-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 acid","Lactate",".beta.-Hydroxyphenylalanine","2-Hydroxyhexanoic acid","10-Hydroxy-7,9-dimethyl-1,3,4,4a,7,7a-hexahydrobenzo[e]naphthalene-2,8,11-trione","2-Amino-3-[5-tert-butyl-3-(phosphonomethoxy)isoxazol-4-yl]propionic acid","Ursodeoxycholic acid","Isocaproic acid","Orotic acid","2,4-dinitrotoluene","N-Tigloylglycine","Malic acid","Docebenone","3-(2,4-Dimethoxyanilino)-3-oxopropanoic acid","Resveratroloside","[6]-Gingerdiol_3,5-diacetate","Erythronolactone","Theanine","Digalacturonic acid","Chrodrimanin B","Oxypurinol","16,16-Dimethyl-6-ketoprostaglandin E1","Methionine sulfoxide","p-Toluquinone","Butanoic acid","Butaprost (free acid)","Raffinose","5-{[2-(4-Chlorophenyl)ethyl]amino}-5-oxopentanoic acid","Azelaic acid","1,3-Cyclohexanedicarboxylic acid","PHENACEMIDE","Phenol, 4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-","4-Oxohexanoic acid","Aspterric acid","3-Chloro-6-nitro-9H-carbazole","4-(Benzoylamino)benzoic acid","2-Hydroxy-5-methylbenzoic acid","Mefloquine","Nefiracetam","5-(4-Fluoro-3-nitrophenyl)-1H-tetraazole","3-Hydroxy-5-methoxy-3-(methoxycarbonyl)-5-oxopentanoic acid","4-Ethoxybenzoic acid","Methyl (3R,4R,5R)-3,4-dihydroxy-5-((6-O-((2E)-3-phenylprop-2-enoyl)-.beta.-D-glucopyranosyl)oxy)cyclohex-1-ene-1-carboxylate","5-[2-(4-Chlorophenyl)hydrazin-1-ylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione","Deoxycholic acid","Hydroxytyrosol","Psoralen","Jineol","epiyangambin","Glycodeoxycholic acid","Lubiprostone","(2,5-Dioxo-1-pyrrolidinyl)acetic acid","Dinoseb"],"additional_accession":[]},"is_claimable":false,"name":"Integrated multi-omics reveals gut microbiota–metabolic mechanisms underlying the neuroprotective effects of Xijiao Dihuang Decoction against cerebral ischemia–reperfusion injury","description":"This 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.","dates":{"publication":"2026-09-23","submission":"2026-09-23"},"accession":"MTBLS15783","cross_references":{"HMDB":["HMDB0000163","HMDB0004988","HMDB0000883","HMDB0000301","HMDB0028922","HMDB0000323","HMDB0028932","HMDB0029134","HMDB0247297","HMDB0004949","HMDB0000570","HMDB0000148","HMDB0000161","HMDB0000898","HMDB0002284","HMDB0000875","HMDB0062203","HMDB0000244","HMDB0028988","HMDB0000195","HMDB0008821","HMDB0004193","HMDB0004194","HMDB0245980","HMDB0003152","HMDB0059711","HMDB0006101","HMDB0000112","HMDB0000162","HMDB0000643","HMDB0004620","HMDB0029010","HMDB0000699","HMDB0033951","HMDB0000043","HMDB0028691","HMDB0000917","HMDB0011500","HMDB0001488","HMDB0010390","HMDB0010407","HMDB0006455","HMDB0004816","HMDB0013253","HMDB0256585","HMDB0014344","HMDB0000473","HMDB0000975","HMDB0000172","HMDB0060665","HMDB0000902","HMDB0028686","HMDB0013130","HMDB0001248","HMDB0000086","HMDB0242109","HMDB0002024","HMDB0013127","HMDB0000158","HMDB0012136","HMDB0000159","HMDB0004826","HMDB0000132","HMDB0010382","HMDB0012108","HMDB0000630","HMDB0000071","HMDB0000050","HMDB0032538","HMDB0001983","HMDB0001406","HMDB0012897","HMDB0004669","HMDB0000921","HMDB0251526","HMDB0000182","HMDB0006695","HMDB0028702","HMDB0003464","HMDB0002820","HMDB0061715","HMDB0001431","HMDB0000824","HMDB0000097","HMDB0004827","HMDB0002013","HMDB0013128","HMDB0061822","HMDB0256256","HMDB0094708","HMDB0062769","HMDB0002117","HMDB0012252","HMDB0002088","HMDB0000501","HMDB0002141","HMDB0000736","HMDB0253992","HMDB0015504","HMDB0000214","HMDB0011737","HMDB0000191","HMDB0000854","HMDB0003355","HMDB0000719","HMDB0000235","HMDB0041947","HMDB0002064","HMDB0030396","HMDB0000756","HMDB0245025","HMDB0011749","HMDB0013751","HMDB0029217","HMDB0000036","HMDB0005066","HMDB0000688","HMDB0000167","HMDB0000855","HMDB0240585","HMDB0010386","HMDB0029133","HMDB0002250","HMDB0061712","HMDB0013337","HMDB0000269","HMDB0061384","HMDB0256387","HMDB0000101","HMDB0246162","HMDB0033453","HMDB0094649","HMDB0011506","HMDB0002894","HMDB0003282","HMDB0035698","HMDB0001538","HMDB0002182","HMDB0013287","HMDB0255618","HMDB0060493","HMDB0000201","HMDB0033971","HMDB0000259","HMDB0015101","HMDB0000937","HMDB0001262","HMDB0001129","HMDB0006480","HMDB0000303","HMDB0000848","HMDB0244507","HMDB0003550","HMDB0001325","HMDB0001539","HMDB0000870","HMDB0000306","HMDB0249726","HMDB0000048","HMDB0006050","HMDB0000133","HMDB0004610","HMDB0001392","HMDB0242579","HMDB0002719","HMDB0250838","HMDB0253025","HMDB0003828","HMDB0004437","HMDB0010379","HMDB0014581","HMDB0002144","HMDB0243890","HMDB0000865","HMDB0000819","HMDB0254682","HMDB0259297","HMDB0000216","HMDB0000222","HMDB0011600","HMDB0000459","HMDB0258689","HMDB0008097","HMDB0034244","HMDB0015086","HMDB0000089","HMDB0012273","HMDB0062656","HMDB0001563","HMDB0007972","HMDB0000593","HMDB0060741","HMDB0244809","HMDB0246171","HMDB0001847","HMDB0007866","HMDB0000403","HMDB0000194","HMDB0244070","HMDB0000177","HMDB0001252","HMDB0001859","HMDB0008994","HMDB0002923","HMDB0010384","HMDB0000992","HMDB0015004","HMDB0000234","HMDB0251409","HMDB0059883","HMDB0028716","HMDB0000079","HMDB0060768","HMDB0014984","HMDB0247034","HMDB0001852","HMDB0000063","HMDB0000055","HMDB0004058","HMDB0249428","HMDB0014634","HMDB0014937","HMDB0005030","HMDB0252136","HMDB0041989","HMDB0253195","HMDB0014610","HMDB0302356","HMDB0014333","HMDB0001008","HMDB0012309","HMDB0031810","HMDB0009093","HMDB0007973","HMDB0007991","HMDB0011253","HMDB0008727","HMDB0031073","HMDB0004350","HMDB0011754","HMDB0034649","HMDB0015114","HMDB0032983","HMDB0253709","HMDB0002725","HMDB0013654","HMDB0031462","HMDB0254733","HMDB0253663","HMDB0002095","HMDB0029127","HMDB0014597","HMDB0062330","HMDB0250490","HMDB0001411","HMDB0253141","HMDB0341277","HMDB0041339","HMDB0002099","HMDB0040015","HMDB0015319","HMDB0248353","HMDB0243942","HMDB0041802","HMDB0000542","HMDB0000579","HMDB0245002","HMDB0341317","HMDB0030372","HMDB0030374","HMDB0245482","HMDB0001480","HMDB0029786","HMDB0341362","HMDB0013409","HMDB0011262","HMDB0006070","HMDB0029795","HMDB0034702","HMDB0005015","HMDB0251509","HMDB0014685","HMDB0015313","HMDB0060655","HMDB0014341","HMDB0014888","HMDB0015334","HMDB0041253","HMDB0004817","HMDB0060568","HMDB0094680","HMDB0002096","HMDB0035196","HMDB0240606","HMDB0002815","HMDB0241313","HMDB0242112","HMDB0007890","HMDB0011352","HMDB0241367","HMDB0033910","HMDB0062225","HMDB0247199","HMDB0032985","HMDB0254828","HMDB0251622","HMDB0029426","HMDB0242151","HMDB0028889","HMDB0038288","HMDB0246408","HMDB0004063","HMDB0031667","HMDB0248436","HMDB0303321","HMDB0037148","HMDB0040044","HMDB0040012","HMDB0254922","HMDB0015491","HMDB0030549","HMDB0245026","HMDB0015567","HMDB0008002","HMDB0008443","HMDB0036648","HMDB0059683","HMDB0032468","HMDB0029302","HMDB0015148","HMDB0011730","HMDB0014462","HMDB0015168","HMDB0042006","HMDB0061861","HMDB0029598","HMDB0003654","HMDB0033560","HMDB0002214","HMDB0013238","HMDB0241227","HMDB0240766","HMDB0011502","HMDB0241157","HMDB0011152","HMDB0240291","HMDB0241308","HMDB024154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