Metabolite features detected by untargeted LC-MS analysis were subjected to subsequent metabolite annotation and identification.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["Liquid chromatography was performed using a Thermo Vanquish UHPLC system equipped with an ACQUITY UPLC HSS T3 column (2.1 × 100 mm, 1.8 µm; Waters). The column temperature was maintained at 40°C, with a flow rate of 0.3 mL/min and an injection volume of 2 µL. For positive ion mode, mobile phases were 0.1% formic acid in water (A) and 0.1% formic acid in acetonitrile (B). The gradient was: 0–1 min, 10% B; 1–5 min, 10–98% B; 5–6.5 min, 98% B; 6.5–6.6 min, 98–10% B; and 6.6–8 min, 10% B. For negative ion mode, mobile phases were 5 mM ammonium formate in water (A) and acetonitrile (B), using the same gradient program.
"],"publication":["Metabolomic profiling of mouse colorectal tumor tissues and fecal samples following bacterial intervention."],"submitter_name":["Jingwen Ma"],"submitter_affiliation":["Fudan University Shanghai Cancer Center"],"organism_part":["colon","feces"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["An appropriate amount of colorectal tumor tissue was transferred into a 2 mL centrifuge tube and extracted with 1000 µL tissue extraction solution consisting of 75% (9:1 methanol:chloroform) and 25% water. Samples were homogenized with steel balls at 50 Hz for 60 s twice, sonicated at room temperature for 30 min, and incubated on ice for 30 min. Samples were centrifuged at 12,000 rpm and 4°C for 10 min. The supernatant was collected, concentrated to dryness, and reconstituted in 200 µL of 50% acetonitrile containing 4 ppm 2-chloro-L-phenylalanine. The reconstituted samples were filtered through a 0.22 µm membrane before LC-MS analysis.
"],"organism":["Mus musculus"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15620"],"author":["Yongzhi Yang. Fudan University Shanghai Cancer Center. 270 Dongan Road, Xuhui District, Shanghai 200032, China. yongzhiyang@fudan.edu.cn.","Jingwen Ma. Fudan University Shanghai Cancer Center. 270 Dongan Road, Xuhui District, Shanghai 200032, China. mjw13905271256@163.com.","Qinyuan Zhang. Fudan University Shanghai Cancer Center. 270 Dongan Road, Xuhui District, Shanghai 200032, China. 260979227@qq.com."],"data_transformation_protocol":["Raw LC-MS data were acquired in positive and negative ion modes for subsequent untargeted metabolomic data processing and analysis.
"],"study_factor":["Treatment"],"submitter_email":["mjw13905271256@163.com"],"sample_collection_protocol":["Colorectal tumor tissues and fecal samples were collected from female C57BL/6J mice subjected to AOM/DSS-induced colorectal tumorigenesis. Mice were assigned to control, Faecalibacterium prausnitzii, Peptostreptococcus stomatis, and combined Faecalibacterium prausnitzii plus Peptostreptococcus stomatis intervention groups. Samples were collected for targeted bile acid profiling and untargeted metabolomic analysis.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","Metabolomics","Mus musculus","colorectal cancer","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","colon","targeted metabolite profiling","feces","untargeted metabolite profiling"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","Metabolomics","Mus musculus","colorectal cancer","untargeted analysis","Thermo Scientific Orbitrap Exploris 120","colon","targeted metabolite profiling","feces","untargeted metabolite profiling"],"mass_spectrometry_protocol":["Mass spectrometric detection was performed using a Thermo Orbitrap Exploris 120 mass spectrometer equipped with an electrospray ionization (ESI) source. Data were acquired separately in positive and negative ion modes using Full MS-ddMS2 acquisition. Spray voltages were 3.50 kV for ESI positive mode and −2.50 kV for ESI negative mode. The sheath gas and auxiliary gas were set to 40 arb and 10 arb, respectively, and the capillary temperature was 325°C. Full MS scans were acquired over m/z 100–1000 at a resolution of 60,000 FWHM. Data-dependent MS/MS was performed at a resolution of 15,000 FWHM with a normalized collision energy of 30%, selecting the top four ions per cycle with dynamic exclusion.
"],"metabolite_name":["Carboprost Tromethamine","12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide d","Corticosterone","L-Capreomycidine","Saikosaponin D","pentalenolactone D","Benzyl 2-methyl-3-oxobutanoate","Butlerin C","Macowine","1-Hydroxypyrene-7,8-oxide","alpha-Artemisic acid","trans-Methylbixin","PS(18_0_8,9-EpETE)","2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)amino]-N'-[(E)-phenylmethylidene]propanehydrazide (non-preferred name)","Tetaine","Ketoleucine","Reserpine","N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide","2-linoleoylglycerol (18_2)","2',6'-Dihydroxy-4'-methoxydihydrochalcone","Stachybotrysin C","Methyl indole-3-acetate","1-Hydroxy-2-naphthoic acid","tauroallocholic acid","2-Trimethylaminoethylphosphonic acid","Bafilomycin J","N-oleoyltaurine","6,8-Dihydroxy-2-methylmercaptopurine","dapdiamide C","Puromycin aminonucleoside","Ser Glu Gly","Ubiquinol-6","NCGC00380993-01_C23H28O12_Cyclopenta[c]pyran-4-carboxylic acid, 6-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-","(13E)-9-hydroxy-8alpha-labda-13-en-15-yl diphosphate","Doryanin","Prostaglandin E2","5-Fluoromuconolactone","Prostaglandin E1","4,4-Diaponeurosporen-4-al","(1R,3S,5Z)-5-[(2Z)-2-[(1R,3Ar,7aS)-1-[(2S)-1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol","Phosphatidylinositol lyso 20_4","9-Hpode","NCGC00381046-01_C41H66O14_9,19-Cyclolanost-24-en-26-oic acid, 3-[(2-O-hexopyranosylpentopyranosyl)oxy]-12,15-dihydroxy-, (3beta,8xi,9beta,24E)-","3-Hydroxy-3',4',5'-trimethoxyflavone","Cauloside C","[1-Hexadecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octadecanoate","Hemibrevetoxin B","Quillaic Acid","4-Feruloyl-1,5-quinolactone","5b-Cholestane-3a,7a,12a,23S,25-pentol","Erionic acid E","Madecassic Acid","Tetrahydrocorticosterone","Novamethymycin","verticilactam","(S)-cis-N-Methylstylopine","Pinostrobin","3-(Galactosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B","Chenodeoxycholylmethionine","4-Hydroxy-5-methyl-3-[2-methyl-1-(4-methyl-5-oxooxolan-2-yl)but-3-en-2-yl]chromen-2-one","Cinnamic Acid","2-(6-Hydroxyhexyl)-3-methylidenebutanedioic acid","tetranor-PGFM","streptidine","(6Z,10E,14E)-3,7,11,15,19-Pentamethylicosane-6,10,14,18-tetraene-1-ol","Salicylaldehyde","Tormentic acid","(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","Prostaglandin C1","1-Hydroxyanthraquinone","Sandaracopimaradien-3.beta.-ol","D-Aspartic Acid","batatasin III","NCGC00385359-01_C30H46O7_(3beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide","all-trans-Hexaprenyl diphosphate","(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one","(S)-3-Amino-3-phenylpropanoic acid","Casearlucin K","Neosaxitoxin","Tyr-Tyr-Tyr","1-Stearoyl-2-oleoylphosphatidylethanolamine","trigochinin G","Hexestrol","C19075","Crustecdysone","5,9_6,9-Diepoxy-4-megastigmene","Medicagenic acid 3-O-b-D-glucuronide","SCHEMBL17867390","PE(17_1e_18-HETE)","Eupatolide","L-3-Cyanoalanine","Gentamicin A","Gibberellin A44 diacid","Labriformin","Gamma-Glutamylglycine","NCGC00380734-01_C39H65NO10_2-{6-[5-Hydroxy-3-(2-hydroxy-2-propanyl)-6a,9b-dimethyldodecahydrocyclopenta[f]chromen-7-yl]-4a-methyl-3,4,4a,7,8,8a-hexahydro-2H-chromen-2-yl}-2-propanyl 2-acetamido-2-deoxy-6-O-methylhexopyranoside","Sapacitabine","Leu-Ser-Pro","3,4,5-Trimethoxyphenyl acetate","(3R,5R)-1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diyldiacetate","4-Acetamidobutyric acid","Torvoside G","Lepranthin","Danshensu","N-Arachidonoylglycine","Prostaglandin A1","Glucobrassicin","1-Benzyl-3-ethyl-4-hydroxyquinolin-2-one","Polysorbate 60","Plumbagin","Bisanhydrobacterioruberin","Taurolithocholate","Pannaric acid","Histidyltryptophyldiketopiperazine","Leupeptin","6-Glucosyl-3,4',5,7-tetrahydroxyflavanone","5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylate","Isopropyl catechol","Monoethyl phthalate","FA 20_3;O4","Phosphatidylethanolamine lyso alkenyl 18_1","9-OxoODE","3-isochromanone","6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1b aglycone","L-Alloisoleucine","Asparaginylhydroxyproline","17,20,21-Trihydroxypregn-4-en-3-one","Chlorophyll b","8-apo-beta-Carotenol","Macrocarpal B","Linoleic acid","6-hydroxy-3-isopropenylheptanoic acid","Eupatilin","5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxy-phenol","3-Hexen-1-ol","Dipiperamide A","Ganoderenic Acid D","Cis-4-Hydroxy-D-Proline","(9E)-12-hydroxyoctadec-9-enoic acid","Taurocholic Acid","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","4-(Glutamylamino) butanoate","Cardiospermin","Vaccenic acid","Chlophedianol","Jaligonic acid","Pyridoxic Acid","Secoisolariciresinol diglucoside","N-Acetyl-L-tyrosine","(S)-10,16-Dihydroxyhexadecanoic acid","Muscapurpurin","gamma-Glutamylmethionine","Gibberellin A8","Pevonedistat","Threonine","Gibberellin A4","Flavanone base + 4O, O-Hex, C-Pen","G-418","Gibberellin A3","3-Gal(1-2)GluA Soyasapogenol B","3-(3-hydroxybutanoyloxy)butanoic acid","Mycobactins","Telmisartan","iodophenol","Nitrofurazone","3-[3-Methoxy-4-(sulfooxy)phenyl]propanoic acid","Isomurolic acid","Urocanic Acid","Avermectin A1a aglycone","O-Tigloylgymnemagenin","Alfatradiol","N(4)-Acetylsulfamethazine","PC(20_5(5Z,8Z,11Z,14Z,17Z)_P-16_0)","Clindamycin","pyrethrin I","ST 28_1;O3","Bufotalin","(4aS,6aS,6bR,9R,10R,11R,12aR)-10,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","L-Tartaric acid","2-[(2,4,6-Trimethylphenyl)formamido]acetic acid","2-Acetamido-3-methyl-pentanoic acid","24-Epibrassinolide","Ixabepilone","C21306","Prednisolone","cis-Caffeic acid","Tricoumaroyl spermidine","Lamiidoside","(R)-2-hydroxystearic acid","7-Methylguanine","8(R)-Hydroperoxylinoleic acid","NCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-one","PLATYPHYLLENONE","9,12,13-Trihydroxy-10-octadecenoic acid","Lupulon","Pregnanetriol 3a-O-b-D-glucuronide","5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine","Supiculisporic Acid","2,6-Dihydroxybenzoic Acid","Benzeneacetonitrile","Medicagenic acid","Resorcinol Monoacetate","Pipercide","Quinolones","His Trp Tyr","sodium glycocholate","S-adenosylhomocysteine (SAH)","Lepidissipyrone","(Z)-5-[(1S,2R,4aR,8aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-(hydroxymethyl)pent-2-enoic acid","Iridotrial","N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine","N-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzamide","2-Acetamido-3-(4-hydroxyphenyl)propanamide","Sulfuric acid 4-methoxyphenyl ester","PC(P-16_0_18_4(6Z,9Z,12Z,15Z))","Neurosporaxanthin","6-Hydroxynicotinic acid","Isovaline","NCGC00380683-01_C21H32O7_2,4-Dihydroxy-5-methoxy-2a'',5a'',7''-trimethyldodecahydrodispiro[furan-3,2'-furan-5',6''-naphtho[1,8-bc]furan]-2''(2a''H)-one","2-Methoxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carbaldehyde","7-Methoxyrosmanol","L-2-Amino-4-methylenepentanedioic acid","Chenodeoxycholic acid 3-sulfate","Cohumulone","NCGC00347372-02_C45H74O17_beta-D-Glucopyranoside, (3beta,5beta,9xi,14xi,25S)-spirostan-3-yl O-6-deoxy-alpha-L-mannopyranosyl-(1->4)-O-[beta-D-glucopyranosyl-(1->2)]-","threo-hydroxyaspartic acid","N-Stearoyltaurine","Tulipinolide","Cholesteryl caprylate","2,4-Dichlorobenzoate","1,3,7-trimethyl-5-hydroxyisourate","2-Methyl-1-butanethiol","NCGC00384635-01_C27H34O8_Methyl [(1S,3S,7R,8R,9R,12S,13S)-13-(3-furyl)-6,6,8,12-tetramethyl-17-methylene-5,15-dioxo-2,14-dioxatetracyclo[7.7.1.0~1,12~.0~3,8~]heptadec-7-yl](hydroxy)acetate","2,7-dihydroxy-4'-methoxyisoflavanone","2-Methyl-5-isopropylhexa-2,5-dienal","2,4-Pentanedione","5-(Carboxymethyl)proline","Nuatigenin","Triptophenolide","Proclavaminate","3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid","L-Oleandrosyl-oleandolide","CP-457677","2,3-dimethyl-6-geranylgeranyl-1,4-benzoquinol","roquefortine D","(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one","Pantoic acid","(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one","Farrerol","Docosanedioic acid","MS000140172","Arbekacin","Pelargonic acid","1-Methyladenosine","1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzene","D-Ribose","Poricoic Acid A","3-(3,5-DIBROMO-4-HYDROXYPHENYL)PROP-2-ENOIC ACID","Dihydrolipoamide","Antioside","1,7-Bis(4-hydroxyphenyl)hept-1-en-3-one","Ganoderic Acid Am1","Creosol","beta-D-glucosyl-N-hexadecanoylsphingosine","3-Epigibberellin A1","9,10-EOT","7alpha,26-dihydroxy-5beta-cholestan-3-one","1-Naphthol","L-Alanyl-gamma-D-glutamyl-L-lysine","p-Cresol sulfate","Zinniol","Probucol","Avermectin A1b aglycone","3-[(3R,5S,10R,13R,14S,17R)-5,14-dihydroxy-10,13-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one","3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-al","7-O-Geranyl-2-O,3-dimethylflaviolin","AVRAINVILLEOL","(2-Neopentylallyl)succinic acid","Thioguanosine 5'-triphosphate","Lophenol","D-Galactopyranuronic acid","2-Aminophenol","Tartronate semialdehyde","Tridecanedioic acid","Eprosartan","PC O-19_0","KAZINOL Q","Andrographolide","Isoliquiritigenin","Ononetin","Luteolin 4'-sulfate","Acetohexamide","2-(4-Methoxy-benzoylamino)-4-methyl-pentanoic acid","2,5-Dimethylresorcinol","3,4-Dihydroxyphenylglycol O-sulfate","Mevinolinic Acid","Edetic Acid","Catechol","6-Amino-1,4-dihydro-4-(4-hydroxyphenyl)-3-methylpyrano[2,3-c]pyrazole-5-carbonitrile","Nigakihemiacetal B","Dihydroshikonofuran","Hepoxilin A3","NCGC00380128-01_C39H62O12_alpha-L-Mannopyranoside, (1beta,3alpha,8xi,9xi,14xi,25S)-3-hydroxyspirost-5-en-1-yl 6-deoxy-2-O-(6-deoxy-alpha-L-mannopyranosyl)-","m-Toluic Acid","Asiatic Acid","9-Methylxanthine","Phosphatidylinositol alkyl 16_1-22_6","5-Methoxy-3,4-methylenedioxyamphetamine","7-Methylguanosine","SDCA-Sulfodeoxycholic acid","5-Hydroxykynurenamine","2-propan-2-yloxyethyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate","alpha-Boswellic acid","Methyl Sulfate","3beta-Hydroxy-4,4-dimethylsteroid","2-Naphthalenesulfonic acid","(plus_minus)-Sphaerosin","ST 27_2;O5","Eletriptan","ST 27_2;O3","PS(18_0_17,18-EpETE)","2',3-Dihydroxy-4,4',6'-trimethoxychalcone","Aspidocarpine","Pyrrole-2-carboxylic acid","Columbamine","20,21-Diprenylterpendole C","1-(methylsulfanyl)-7-aci-nitroheptane","Doconexent","Ac-2,5,5-Tribromo-2,6,6-trimethylspirol[benzofuran-2(3H),1-cyclohexan]-3-ol","Dehydrolithocholic acid","Baconipyrone A","18-Hydroxyoleic acid","2-Keto-glutaramic acid","Diketol","2-Methoxyethyl 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate","17-Hydroxyprogesterone","2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide","8-Acetoxypinoresinol","3-(2,5-Dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diol","Beloranib","Succinic acid, sulfo-, 1,4-dioctyl ester","Urea, (3,4-dichlorophenyl)-","Chaetocyclinone B","7-hydroxyolanzapine","6,18,19-Trihydroxytrachyloban-2-one","2-O-(alpha-D-glucopyranosyl)-D-glyceric acid","5-(2-(Furan-3-YL)ethyl)-8A-(hydroxymethyl)-5,6-dimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid","2-Thiouracil","1-Oleoylglycerophosphoinositol","Chlorprothixene","Cortivazol","3-Glucuronyl-22-DDMP Soyasapogenol B","1-[(Benzyloxy)carbonyl]pyrrolidine-2-carboxylic acid","(3S,4S,5S,10S,13R,14R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,5,6,7,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-4-carboxylic acid","3-dehydroshikimate","nepetin","Bctc","CAY10622","Tricin","(4aS,5R,6S,8aS)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","NCGC00347421-02_C35H54O10_Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, (3beta,5xi,9xi,16alpha)-","2-Amino-4,6-dinitrotoluene","Risperidone","Ciprostene","Tritoqualine","daphlongeranine A","Bexarotene","Bacterioruberin","3-Succinoylpyridine","NCGC00380895-01_C27H36O12_1-Cyclohexene-1-carboxylic acid, 4-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propen-1-yl]-beta-D-glucopyranosyl]oxy]-2,6,6-trimethyl-","Cyanuric acid","4-Methylmorpholine N-oxide","N(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acid","Kurarinone","gamma-Glutamyl-gamma-aminobutyraldehyde","Hederagenin base-2H + 1O, O-AcetylHex","6,8a-Seco-6,8a-deoxy-5-oxoavermectin 2b aglycone","Isorhapontigenin","(E)-4-[(1R,2S,3S,4R,8aS)-2,3,4-trihydroxy-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]but-3-en-2-one","Butyl glucosinolate","Ent-11beta-hydroxycassa-12,15-diene","Solidagolactone III","Kynurenic Acid","2-Heptylhexanedioic acid","Cyclanilide","Taurochenodesoxycholic acid","6-Amino-3-ethyl-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","LPG 17_1","2-Dimethylaminoethylphosphonate","Rotenolone","Ketospirilloxanthin","Isoxanthohumol(Sophora)","Furostane base-2H + O-Hex","1,2,4-Benzenetriol","NSC369403","3-Methyl-2-indolinone","1-(11Z-docosenoyl)-glycero-3-phosphate","8-benzoyl-2-[(Z)-1,2-dihydroxyhex-3-enyl]-9-hydroxy-8-methoxy-3-methyl-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione","Butirosin B","NCGC00381328-01_C15H20O6_4-Hydroxy-4-(hydroxymethyl)-6,6-dimethyl-3-oxo-1,3,4,5,6,7,7a,9a-octahydropentaleno[1,6a-c]pyran-9-carboxylic acid","Lignicol","1-nitronaphthalene","ST 29_3;O","lupinate","Calystegin A3","(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-one","Gamma-glutamyl-L-putrescine","N-Acetyl-L-phenylalanine","5-O-beta-D-Mycaminosyltylactone","2-hexadecanoyl-3-O-beta-D-galactosyl-sn-glycerol","Desthiobiotin","Delphinidin","1-Hexadecanoyl-sn-glycero-3-phosphoethanolamine","Dicaffeoylputrescine","[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate","3-Hydroxyglutaric acid","PG(18_1_11,12-Eet)","Protoemetine","Fenhexamid","2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid","(5R)-Dihydrothymine","3H-Pyrrolo[4,3,2-gh]-1,4-benzodiazonin-3-one,9-(1,1-dimethyl-2-propenyl)-1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-,(2S,5S)- (9CI)","Emodic acid","Andrastin C","L-Isoleucyl-L-isoleucine","2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione","Schisantherin E","Leu-Arg-Asn-Arg","10-Methylthio-2-decanoic acid","7-Allyloxycoumarin","Elaeodendroside E","Dl-Tryptophan","Dehydroxymethylflazine","Acetoxystachybotrydial acetate","(2S,3S,9R,13R,14S,16R)-2,3,16-Trihydroxy-17-[(2R)-2-hydroxy-6-methyl-3-oxohept-6-en-2-yl]-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one","3-Pentadecacatechol diacetate","DMG-MINO","[2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate","Lysine, DL-","4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol","4-[(E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid","1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazide","vulpinic acid","5'-Phosphoribosyl-N-formylglycinamide","4-Ketomyxol","Artoflavanone","(3S)-3-Hydroxy-L-enduracididine","4-Hydroxyacetophenone","4-hydroxyglutamate","4-Chloro-5-sulfamoylanthranilic acid","Atractyloside","FA 6_0;O2","5-[2-(Furan-3-YL)ethyl]-8-hydroxy-5,6,8A-trimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid","Boc-Asp(OBzl)-OH","Gibberellin A14 aldehyde","Met-enkephalinamide","Alanine","5-Aminovaleric acid","Magnolol","Marmesin","6-Ketoprostaglandin E1","Propylparaben","1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine","Ala-Glu-OH","Flavocristamide B","Tragopogonsaponin K","3-Methoxycolensoic acid","(2S)-3-phenyl-2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]propanoic acid","6-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one","Copalyl diphosphate","3-Amino-3-deoxygentamicin A2","Dehydropachymic acid","Olean-12-en-28-oic acid, 2,3,6,23-tetrahydroxy-, (2a,3b,4a,6b)-","Nicotinic acid","(-)-(R)-8-(3S,9S,14aR)-9-benzyl-6,6-dimethyl-1,4,7,10-tetraoxotetradecahydropyrrolo[1,2-a][1,4,7,10]tetraazacyclododecin-3-yl-3-oxooctan-2-yl acetate","(1S,4S,5R,9S,10R,13R,14R)-14-hydroxy-5,9-dimethyl-14-(3-methylbutanoyloxymethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid","UDP-2-acetamido-2,6-dideoxy-beta-L-talose","Desloratadine","(7'R)-(+)-Lyoniresinol 9'-glucoside","1-Dehydroxy-23-deoxojessic acid","5-Bromotryptophan","beta-Citraurin","N-acetylornithine","17beta-Estradiol 3-sulfate","Neobulgarone C_D","2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-6-methylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","(3S,5S)-Carbapenam-3-carboxylate","Sebacic Acid","Menadione","Fuziline","LysoPC(18_3(6Z,9Z,12Z)_0_0)","N'-[2-(Oxidanylcarbamoyl)phenyl]-N-phenyl-octanediamide","2-Furoic acid","Cytidine 2',3'-cyclic phosphate","Histamine dihydrochloride","4-Nitrophenyl chloroformate","(2E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-[5-(morpholin-4-yl)furan-2-yl]prop-2-enamide","3,5-O-Cyclodiospyrin","antimycin A2|antimycin A2a","Tetracosatetraenoic acid (24_4n-6)","taxol side chain","Salvinorin A","Peimisine","magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-11-(2-methylpropyl)-4-oxo-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid","3-(4-Hydroxyphenyl)-1-propanol","2-Oxoadipic acid","nicalbin B","3-Hydroxystigmast-5-en-7-one","Narbomycin","(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acid","Dihydrothymine","Curcumin","Burseran","Homomethionine","Corosolic acid","2-[(3S)-3-hydroxy-4a,8-dimethyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid","(1R,4aS,5R,8aS)-5-(5-hydroxy-3-methylpentyl)-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid","Dehydro-4-methoxycyclobrassinin","3,4,5-Trimethoxycinnamic acid","2,3-Dihydroxybenzoic acid","1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearate","NCGC00380550-01_C24H40O5_4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid","Diniconazole-M","2-Hexadec-7-enylicosa-8,11-dienedioic acid","(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid","[6]-Gingerdiol 3,5-diacetate","Estrone","beta-Ethynylserine","Yardenone A","Taurodeoxycholic Acid","5-Methoxytryptophol","N,N-dihydroxy-L-isoleucine","N-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamide","Stercobilinogen","Prostaglandin h2","Ramipril","Nebramycin factor 5","DTXSID00875093","9-Nitro-20(R)-camptothecin","Aspartame","Planaic acid","Coniferyl alcohol","Helicin","8-Hydroxy-7-methylguanine","benalfocin","5-Amino-4-imidazole carboxylate","LucidenicacidD","Lipoxin A4","Oxopent-4-enoate","Nicotinic acid adenine dinucleotide","Oxoglutaric acid","C12-linear alkyl benzene sulfonate","Biotin","beta-Carboline","Disaccharides ((2Methyl-Hex)-Pen)","lys-ca","Anastatin A","2,2-Bis(4-hydroxyphenyl)-1-propanol","TGSH","LPE 15_0","6-Hydroxy-3-isopropenylheptanoate","Trilobine","Papilioerythrinone","bistratamide F","(S)-N-((R)-1-(Benzo[d][1,3]dioxol-5-yl)butyl)-3,3-diethyl-2-(4-(4-methylpiperazine-1-carbonyl)phenoxy)-4-oxoazetidine-1-carboxamide","bistratamide I","Nakienone B","Pterodontoside D","Stachybonoid D","16-oxo-palmitate","3-Epicorosolic acid","Hyocholic Acid","4,11,13,15-Tetrahydroridentin B","4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-ol","NCGC00385731-01_C46H74O17_(3beta,5xi,9xi,16alpha)-3-{[alpha-L-Arabinopyranosyl-(1->2)-alpha-L-arabinopyranosyl-(1->6)-beta-D-glucopyranosyl]oxy}-16-hydroxyolean-12-en-28-oic acid","Amarouciaxanthin A","(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diol","N-Hydroxy-L-tryptophan","Murideoxycholic acid","4-Chlorobenzoic acid","meso-Tartaric acid","Isoquinoline N-oxide","2,4(1H,3H)-Pyrimidinedione, 5-fluoro-1-(tetrahydro-2-furanyl)-, (R)-","NCGC00179866-03_C35H56O9_9,19-Cyclolanost-24-en-26-oic acid, 12,15-dihydroxy-3-(pentopyranosyloxy)-, (24E)-","Tofisopam","Pseudouridine","Alternaramide","Asparaginyl-Lysine","L-Arabonolactone","Blumealactone B","3-[2-(2,3-dihydroxy-5,6,8a-trimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl)ethyl]-5-hydroxyfuran-2(5H)-one","2-Amino-2-deoxyisochorismate","Farnesol","Liqcoumarin","6-Hydroxymellein","Tiglylcarnitine","Didehydroagroclavine","5a-Androstan-3b-ol","17-Hydroxymethylethisterone","(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid","5-Hydroxyconiferaldehyde","Isovaleric acid","Sinapyl alcohol","Hexanoyllysine","[2-[4-Acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3-hexanoyloxy-6-(hydroxymethyl)-5-pentanoyloxyoxan-4-yl] hexanoate","3-Mercaptopyruvic acid","(7'S,10'R,14'S,18'S,22'R)-10',21',22'-trihydroxy-7',18'-dimethyl-19'-(5-oxo-2H-furan-3-yl)spiro[1,3-thiazolidine-2,9'-4,6,11-trioxahexacyclo[12.11.0.03,12.05,10.015,23.018,22]pentacosane]-14'-carbaldehyde","1,3-Cyclohexanedione","3-Methoxy-4,5-methylenedioxybenzoic acid","3-Oxocholic acid","(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one","LysoPC O-16_1","Ketotifen","3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl (2E,6R)-6-[(1R,3R,6S,8R,12S,15R,16R)-13,17-dihydroxy-7,7,12,16-tetramethyl-6-{[(2R)-3,4,5-trihydroxy-6-{[(3,4,5-trihydroxyoxan-2-yl)oxy]methyl}oxan-2-yl]oxy}pentacyclo[9.7.0.0(1),(3).0(3),.0(1)(2),(1)]octadecan-15-yl]-2-methylhept-2-enoate","3,5-Dichlorocatechol","TAUROLITHOCHOLIC ACID SODIUM SALT","Hexadecanedioic acid","Imatinib","Helenalin","Olean-12-ene-3,11-dione","(1R,7S,8E,9S,14S,15S,17R)-8-ethylidene-15-(1-hydroxypropan-2-yl)-17-methyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,6,12-trioxatricyclo[12.2.1.04,9]heptadec-4-ene-3,11-dione","1,3-Dideacetyl-7-Deacetoxy-7-Oxokhivorin","16-Hydroxy-??-colubrine","Tilivalline","Isomajdine","Anamorelin","Isorhynchophylline","5-Hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one","1-Hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)","6-Hydroxy-6-methyloctanoic acid","Monomethylsulochrin","PG(18_1_17,18-EpETE)","Biotin-X-NHS","Vamonolide","2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde","3-{1-[6,7-Diethoxy-2-(morpholin-4-yl)quinazolin-4-yl]piperidin-4-yl}-1,6-dimethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione","Pentadecanal","methyl 3,17-dihydroxy-10-(hydroxymethyl)-4,4,8,12,13,16-hexamethyl-15-oxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate","9-methylprotocetraric acid","Poacic acid","6-Oxokanamycin C","(1R,2R,4aS,6aS,6bR,9R,10R,11R,12aR)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid","N-Acetylthreonine","Leuconicine G","2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamide","Ile Ile Asp","Indoleacrylate","Indolocarbazole","Reserpic acid","3-hydroxyaminophenol","Palmatine","Caesalpinj","3-Geranylgeranylindole; 3-(Geranylgeranyl)indole","2,3',4,6-Tetrahydroxybenzophenone","N-[(2s)-2-Amino-2-Carboxyethyl]-L-Glutamic Acid","Ganoderic Acid C6","1-(2,4-Dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one","3-hydroxy-geranylhydroquinone","Phthalimide","Ganoderic Acid C2","Labdanolic acid","Apigenin 7-sulfate","Acetamidopropanal","Daphnetol","5-Acetamidovalerate","12,13-DiHOME","gilbertin","Cycloheximide","NCGC00169307-02_C27H31NO5_8H-Pyrano[2,3-f]quinolin-8-one, 2,7,9,10-tetrahydro-10-hydroxy-9-methoxy-10-(4-methoxyphenyl)-2-methyl-2-(4-methyl-3-penten-1-yl)-, (2S,9R,10R)-","lauryl glucoside","Sulfo jasmonate","2-(16-Hydroxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl)-6-methyl-5-methylideneheptanoic acid","Melilotoside","4-Nitroquinoline N-oxide","Cerebrocrast","LysoPC(18_4(6Z,9Z,12Z,15Z)_0_0)","Cortexolone","Forasartan","Taurochenodeoxycholate-3-sulfate","Erigeroside","Benzoic acid, 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-sulfonylamino)-","Sekikaic acid","(1S)-(+)-Ketopinic acid","5-Hydroxyemedastine","17-(3-Pyridyl)-5,16-androstadien-3beta-acetate","Stipitatate","C4-Sulfotetralin alkyl carboxylic acid","ST 28_2;O2","Bis-ferulamidobutane","Elastin","5-Methylthioribose","Linderalactone","9-Demethylmunduserone","ST 28_2;O4","(+)-Dehydrovomifoliol","8-Hydroxyhyperforin 8,1-hemiacetal","17-Hydroxyandrostane-3-glucuronide","Senkyunolide J","7-Oxoheptanoic acid","(S)-Nerolidol 3-O-[a-L-Rhamnopyranosyl-(1->4)-a-L-rhamnopyranosyl-(1->2)-[4-(4-hydroxy-3-methoxycinnamoyl)-(E)-a-L-rhamnopyranosyl-(1->6)]-b-D-glucopyranoside]","Desmeninol","Diadinoxanthin","12,13-Dihydroxy-9-octadecenoic acid","4-Hydroxydebrisoquine","Palythoalone A","Sophoraflavanone G","8-Methylthio-2-octanoic acid","Naphthyl dipeptide","(13S)-13-hydroxyoctadeca-9,11-dienoic acid","P 518","PYRIDAFENTHION","Pedilstatin","Ivacaftor","1-Methyl-2-nitro-1-nitrosoguanidine","3-dehydro-6-hydroxyteasterone","Paspalicine","2,11,20,29,37,38,39,40-Octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontane","Ruboxistaurin","Ginsenoside Rg5","alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID","N-(1H-indol-3-ylacetyl)alanine","N-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycine","Leucyl-leucyl-tyrosine","13-keto-9Z,11E-octadecadienoic acid","2-(9H-Purin-6-ylsulfanyl)-N-(1,1,3,3-tetramethylbutyl)acetamide","8-methylthiooctanaldoxime","vamorolone","1-Ethanone, 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-","8-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]octanoic acid","3,4,5-trimethoxy-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamide","Erucic Acid","naphthalene-1,2,4,8-tetrol","noracymethadol","6,2'-Dihydroxyflavone","Citronellyl cinnamate","4,4-Diapo-psi,psi-carotene-4-oic acid","Abietinal","4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-ol","Aristospan","17-Hydroxypregnenolone sulfate","m-tyrosine","4alpha-methyl-cholesta-8-enol","Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11beta)-","Emodin","2-Acetyl-4,5-dihydrothiazole","7alpha,12alpha,26-trihydroxycholest-4-en-3-one","Valine","Tolcapone","2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-methylpentanoic acid","Rupatadine","Flavanone, 8-beta-D-glucopyranosyl-4',5,7-trihydroxy-, (S)-(8CI); (2S)-8-beta-D-Glucopyranosyl-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one","3-(1,2-Dihydroxypropyl)-1,6,8-trihydroxyanthracene-9,10-dione","Colensoic acid","LPG 22_4","Paromomycin","10,11-epoxy-3,11-dimethyl-7-ethyl-2,6-tridecadienoic acid","Dihydrobiopterin","Cholyl lysine","Dihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazine","Phosphatidylethanolamine lyso alkenyl 16","4-Methyl-5-nitrocatechol","Galantamine","Capsaicin","Heliocide H2","[1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate","7-ketolithocholic acid","Equol 7-O-glucuronide","2-Amino-3-carboxymuconic acid semialdehyde","Phosphatidylethanolamine lyso alkenyl 18","MG(20_3(5Z,8Z,11Z)_0_0_0_0)","Ubenimex","Neobavaisoflavone","7-Sulfocholic acid","Meleagrine","15-keto PGI2","(3R)-3-hydroxy-16-methoxy-1,2-didehydro-2,3-dihydrotabersonine","6-bromo-N-(2-ethyl-6-methylphenyl)quinazolin-4-amine","UDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranose","SCHEMBL16226054","3-Hydroxy-2-naphthoic acid","Pyroglutamylisoleucine","Lotaustralin","6-oxo-6a,12a-dehydrodeguelin|9,10-dimethoxy-3,3-dimethyl-3H-pyrano[2,3-c;6,5-f] dichromium ene-7,13-dione|9,10-Dimethoxy-3,3-dimethyl-3H-pyrano[2,3-c;6,5-f]dichromen-7,13-dion|villosinol","4-(Ethoxymethyl)-2-methoxyphenol","3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)","D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinose","Paspaline","15,16-Dihydrobiliverdin","LysoPE(0_0_20_1(11Z))","3-Dehydro-2-deoxyecdysone","Indole-3-lactic acid","Kanamycin X","[3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-[(10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoyl]oxypropyl] (10Z,13Z,16Z,19Z)-docosa-10,13,16,19-tetraenoate","2-Amino-4-methoxyphenol","rhodexin A","Aflatoxin GM2","Benzyl Alcohol","Aflatoxin GM1","[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate","10-Hydroxydecanoic acid","Everninic Acid","monacolin J acid","7,7'-Dihydroxy-6,8'-bicoumarin","Methyl 2-(methylthio)butyrate","N-acetyl-DL-aspartic acid","3-Rha(1-2)Ara(1-2)GluA-22-DDMP Soyasaponenol B","Bancroftinone","3-Hydroxymandelic acid","3,4-Dihydroxymandelonitrile","Lysylphenylalanine","Tazobactam","Neomethymycin","Grossamide","FAL 16_1","13-Oxo-9,11-tridecadienoic acid","3,15-dibenzyl-1,4,12-trimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone","N-(2-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-3,4-dimethoxybenzamide","Neoxanthin","4-Hydroxy-2-methoxy-6-methylbenzoic acid","Alditol 6-phosphate","1,2-Dimethoxybenzene","PC 18_1","methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate","4'-Hydroxyflurbiprofen","Pegaptanib","NCI60_031845","Trigoforin","heteroclitin I|kadsuphilol E","SCHEMBL14765177","(2E)-N-[4-(acetylamino)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide","2-Hydroxyadipic acid","3-Aminophenol","Droperidol","Netilmicin","Arctigenin","4-[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic acid","dalcochinin","N(1),N(8)-bis(sinapoyl)-spermidine","2-Hydroxy-22-methyltetracosanoic acid","Levonorgestrel acetate","LPC 16_0","Nalbuphine","1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanone","Rosmarinic acid","(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid","4-(2,4-Dihydroxy-3,5-dimethylbenzoyl)oxy-2-hydroxy-3,5-dimethylbenzoic acid","Carbadox","7-Formyldehydrothalicsimidine","2-Methylquinoline-3,4-diol","6-oxocampestanol","Osajin","Validone 7-phosphate","Ethyl glucuronide","5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-8-Enyl)Benzene-1,3-Diol","beta-Boswellic acid acetate","Dibenzylbutyrolactone","Withaperuvin E","Roridin L","Lariciresinol","Asp Ile Ser","Alizarin Red","7-methylthioheptanaldoxime","6,7-Dihydroxybergamottin","3beta-hydroxy-5-cholestenoate","O-Demethylfonsecin","PE(P-18_0_22_5(4Z,7Z,10Z,13Z,16Z))","2-((2E)-3,7-Dimethyl-2,6-octadienyl)-5,6-dimethoxy-3-methyl-1,4-benzenediol","9-hydroxy-10E,12Z-octadecadienoic acid","Lithocholic acid glucuronide","CBMicro_028629","Benzenamine","Roridin C","Sanguinarine","NCGC00381308-01_C47H76O17_(3beta,5xi,9xi,18xi,22beta)-22,25-Dihydroxyolean-12-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-xylopyranosyl-(1->2)-beta-D-glucopyranosiduronic acid","7,3',4',5'-Tetrahydroxyflavone","Phosphatidylinositol lyso 16_0","Ferulic acid","1-hexadecyl-glycero-3-phosphate","1,7-Bis(3,4-dihydroxyphenyl)heptan-3-yl acetate","4-Hydroxy-3,5-dimethoxycinnamic acid","3alpha,7alpha-Dihydroxycoprostanic acid","Naringenin 7-(2-p-Coumaroylglucoside)","4-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy-4-oxobutanoic acid","N-Acetylserotonin","Aloin A","Ala-Ile","2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acid","Cycloartomunin","2-Deoxycrustecdysone","Dipalmitoyl phosphatidylinositol","fumagillin","(S)-N-Methylcanadine","21,22-Diprenylpaxilline","2-Methoxy-1-(2,4,6-trihydroxyphenyl)ethanone","LysoPE(0_0_20_2(11Z,14Z))","(2R,3S,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-6-[4-[(3R,6S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenoxy]-2-(hydroxymethyl)oxane-3,4-diol","3-Hydroxykynurenine","3-hydroxy-L-kynurenine","2-Acrylamido-2-methyl-1-propanesulfonic acid","3-[4-[5-(Acetyloxymethyl)-3,4-dihydroxyoxolan-2-yl]oxy-3-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-6,9a,9b-trimethyl-7-prop-1-en-2-yl-1,2,3,3a,4,5,5a,7,8,9-decahydrocyclopenta[a]naphthalen-6-yl]propanoic acid","(8S,21S)-16,26,27-trimethoxy-7,22-dimethyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol","Specneuzhenide","5Hpp-33","Ohobanin","3-Hydroxytetradecanoic acid","8,13-Abietadien-18-oic acid","3-Mercaptolactic acid","1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-one","N-acetyl-D-tryptophan","Uzarin","Stemar-13-ene","Thienorphine","Mycophenolic Acid","NCGC00384610-01_C48H76O18_Olean-12-en-28-oic acid, 3-[[O-6-deoxy-alpha-L-mannopyranosyl-(1->3)-O-[beta-D-glucopyranosyl-(1->2)]-beta-D-glucopyranuronosyl]oxy]-, (3beta,5xi,9xi,18xi)-","9,10,16-Trihydroxyhexadecanoic acid","6-Oxoneomycin C","Cleromyrine I","5-(3-Methoxyphenyl)-3-(1-phenylethylamino)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one","(2E)-1-cyclopropyl-3-{4-methoxy-3-[(4-nitrophenoxy)methyl]phenyl}prop-2-en-1-one","2-Hydroxycinnamic acid, (2E)-","ST 29_2;O","alisol C 23-acetate","7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-one","Chlorophyllide a","Diketogulonic acid","2,4-Dinitrophenol","Humulone","6,7-Bis(hydroxymethyl)-1-methoxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2,3-diol","Ncgc00385798-01_C31H43N7O6_","1-(2-Hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone","Rishitin","Citalopram N-oxide","2-Hydroxyhexadecanoate","4-[(1R)-2-amino-1-hydroxyethyl]phenol","Liquiritigenin","(2S)-3-(4-hydroxyphenyl)-2-(3-oxobutylamino)propanoic acid","COUMARIN, 7-HYDROXY-3-(p-METHOXYPHENYL)-4-PHENYL-","Vomifoliol","ArgCA","Nateglinide","y-Morphine","ST 27_1;O3","ST 27_1;O2","NCGC00180415-03_C30H46O6_Urs-12-ene-24,28-dioic acid, 3,19-dihydroxy-, (3beta,5xi,9xi,18xi)-","D-Serine","Norrangiformic acid","ST 27_1;O4","3,5_4-Trihydroxycyclohexa-1,2-dione","Isobutyric acid","beta-Apo-4-carotenal","Bacteriochlorophyllide b","2,2,3-trihydroxybiphenyl","Benzyl alcohol + Hex-Pen","(25R)-26-hydroxycholest-4-en-3-one","(1R,3Z,5S,8Z,12Z,15S)-5,17-dihydroxy-18-[(2S)-1-hydroxypropan-2-yl]-4,8,12,15-tetramethylbicyclo[13.3.0]octadeca-3,8,12,17-tetraen-16-one","6,7,8-trihydroxycoumarin","Phytylplastoquinol","3-(3-sulfooxyphenyl)propanoic Acid","O-acetylhomoserine","Isomuronic acid","Allophanic acid","Ouabain","Methyl 2-[(4-acetamidophenyl)formamido]acetate","Nervonic Acid","2,4-Diaminobenzenesulfonic acid","Panthenol","3-Phosphoadenylylselenate","Lucidenic acid N","Lucidenic acid G","N-Cyclopropylammelide","5-Acetyl-9,9-dimethyl-6-(3-propoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one","(S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic acid","Ethylmalonic acid","Pantethine","N1,N10-Bis(p-coumaroyl)spermidine","2,6-Dioxo-6-phenylhexanoate","Dinoflagellate luciferin","Stigmatellin Y","Hexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]","3-Hydroxybenzaldehyde","Allocholic acid","N-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamide","Cucurbitacin I","Erythronolide B","2-Hydroxyacetanilide","4-oxo-3,4-dihydroquinazoline-2-carbohydrazide","N-(5-oxo-2-phenyl-5H-chromeno[4,3-d]pyrimidin-4-yl)acetamide","Epoprostenol","(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid","(3S)-3-Methyl-2-oxopentanoic acid","Cypridina luciferin","Arginine, N2-benzoyl","Okaramine A","5,7-Dihydroxy-3,6,8,3,4-pentamethoxyflavone","Aflatoxin b1 epoxide","NCGC00380709-01_C32H36N2O5_(3S,3aR,4S,6S,6aR,7E,10S,11Z,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,10,12-trimethyl-5-methylene-2,3,3a,4,5,6,6a,9,10,13-decahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione","2-Dodecoxyethyl hydrogen sulfate","Maslinic acid","PC 36_5","ST51033637","7-[(2-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-one","ilexgeninA","Bovinic acid","Nalidixic Acid","7-Ketodeoxycholic acid","4-Hydroxybenzalacetone","3-Hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid","17a-Hydroxypregnenolone","Aflatoxin B1 diol","Lacinilene C","Amorfrutin 2","N-(2,3-Dihydroxypropyl)valine","Ecdysone","ortho<_i>-hydroxyatorvastatin","2-Hydroxy-4-methoxy-6-pentylbenzoic acid","Melilotigenin","Taurocholic acid 3-sulfate","Biochanin A","Physagulin E","[1-[(Z)-hexadec-4-enoxy]-3-[hydroxy-[(2R,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate","Androsterone","4-Hydroxybenzotriazole","13-Hpode","Phenyl beta-D-glucopyranoside","Gentamicin X2","2-Hydroxy-6-ketononatrienedioate","Aurachin D","2-Hydroxy-6-pentadecylbenzoic acid","3-Deoxo-4b-deoxypaxilline","Carbamoyl cholesterol","DAMGO","Glucurolactone","4-((1Z)-3-oxo-3-phenylprop-1-enyl)phenyl 4-fluorobenzenesulfonate","Colupulone","Alpha-Hydroxyhippuric acid","4-methyl-11-(4-sulfophenyl)tridecanoic acid","3-Hydroxysebacic acid","Alpha,beta-dehydrocurvularin","Deoxycholate","1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one","Avermectin B2b aglycone","(1R,3aR,3bS,4aR,6S,7S,7aR,8R,8aR,9aR)-1,4a,8-tris(acetyloxy)-2,2,3b,6,8a-pentamethyl-4,9-dioxo-tetradecahydro-1H-cyclopenta[a]s-indacen-7-yl butanoate","Gly Ile Ile","Bayogenin base + O-Hex, O-Hex-Hex","Androsterone sulfate","2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one","cis-Trihomoaconitic acid","(2S)-2-hydroxypentanedioic acid","Methyl jasmonate","Isoacoramone","10-acetyl-11-(4-methoxyphenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one","Methyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylate","Phenyl hydrogen sulfate","Undecanedioic Acid","12-Hydroxystearic acid","4-Methyl-2-[(3-methyl-2-{[(2,2,7,7-tetramethyltetrahydro-3AH-DI[1,3]dioxolo[4,5-B_4,5-D]pyran-5-YL)carbonyl]amino}butanoyl)amino]pentanoic acid","Okenone","(2R,5E)-6,10-dimethyl-2-[(2S)-4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-5-ium-2-yl]undeca-5,9-dien-2-ol","NCGC00380384-01_C21H26O7_(2E,4E)-6-{[(5R,9aS,9bS)-9b-Hydroxy-6,6,9a-trimethyl-1-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-5-yl]oxy}-6-oxo-2,4-hexadienoic acid","Kurramine 2beta-N-oxide","3,5-Dihydroxybenzoic Acid","Angeolide","Oxidized Cypridina luciferin","beta-N-ACETYL-D-GALACTOSAMINE","Benzoylmesaconine","Hydroxy-methoxy cinnamic acid","(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol","3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-one","Imidazolone acetate","9,10-Epoxystearic acid","Palmitic Acid","Pomiferin","Aldoifosfamide","(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olide","Cratoxyarborenone E","anthosamine B|N-Me-Anthosamine A","2,22-Dideoxy-3-dehydroecdysone","N-Acetyl-L-leucine","26-hydroxybrassinolide","1H-Imidazo[1,2-b]pyrazole","2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]acetohydrazide","2-methyl-6-geranylgeranyl-1,4-benzoquinol","4-methyl-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]-3-nitrobenzamide","N-Methyl-L-glutamic acid","magnesium;3-[(21S,22S)-26-ethyl-16-(1-hydroxyethyl)-12,17,21-trimethyl-4-oxo-11-propyl-23,25-diaza-7,24-diazanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,5,8(26),9,11,13(25),14,16,18,20(23)-decaen-22-yl]propanoic acid","Isocolumbin","Mammea A_BB","Threonate","Phenylacetic Acid","1-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide","25-Hydroxyvitamin D3 3-sulfate ester","Dinoseb","Prostaglandin F1a","Albonoursin","6,11-Dioxododecanoic acid","Propapyriogenin A2","Gardnutine","3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONE","Chloridazon catechol","Schaftoside","Myrtenal","Mycophenolic acid IV","grayanotoxin I","5-Hydroxy-N-formylkynurenine","Erythrulose 1-phosphate","Strevertene A","3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid","Dasypogalactone","Phloroacetophenone","2-(Hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triol","Coumestrol","(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan","Monomethyl glutarate","2-[(2S,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid","5-Dehydro-6-demethoxyfumagillol","L-rhamnofuranose","2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline","Ethyl gallate","(R)-Kanzonol Y","4,2'-Dihydroxy-3,4',6'-trimethoxychalcone","Z-Tyr-Leu-NHOH","Sterol 3-beta-D-glucoside","Mammea C_AB cyclo D","(7Z,10Z,13Z,16Z)-Docosatetraenoylcarnitine","Ethyl Myristate","p-Menth-1-en-9-ol acetate","Isopentenyldehydrorhodopin","FA 20_5;O3","Valdecoxib","Citrulline","Castasterone","Glyceocarpin","N-Methylnuciferine","4-Hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzouran-2,4'-cyclohex-2-ene]-1',3-dione","Hydroxypyruvic acid","(1S,4S,5R,9S,10R,13S,14R)-14-hydroxy-14-(hydroxymethyl)-5,9-dimethyltetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid","Dihydroergotamine","Indigo","Dulcidiol","4,4-Diapolycopene-4,4-dioate","dipropyl phthalate","(2E)-Decenoyl-CoA","Machaeriol D","2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-(2-phenylethyl)phenol","Thymidine 5'-triphosphate","Roquefortine H","N2-Succinyl-L-ornithine","Estradiol","(1R,2R,4S)-limonene-1,2-diol","12-Ketodeoxycholic acid","Sultopride","2-Hydroxyestrone-1-S-glutathione","3-Phenyl-DL-Serine","picrodendrin Y","1-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide","4-Methylcatechol","hydroxyoctadecenoylcarnitine","1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline","Glutaminylproline","Fexofenadine","6-Methylmercaptopurine","gliocladine D","Malonuric acid","3,7,12-Tris(acetyloxy)cholan-24-oic acid","2-[[3-(Decanoylamino)-2-decoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammonium","Glutaminylisoleucine","2,3-Quinolinedicarboxylic acid","Dehydrocarpaine I","Dihydroasparagusic acid","2-Hydroxypentanoic acid","3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide","2,6-Dinitrophenol","[3-hydroxy-2-methyl-4-(7-oxofuro[3,2-g]chromen-9-yl)oxybutan-2-yl] (Z)-2-methylbut-2-enoate","(1S,2S)-3,11-dihydroxy-1,2,5-trimethyl-8-oxaspiro[oxirane-2,12-tricyclo[7.2.1.02,7]dodecan]-5-en-4-one","LysoPA(19_0_0_0)","Taurohyodeoxycholic acid","Fusarindin","ACMC-20lajd","3a,21-Dihydroxy-5b-pregnane-11,20-dione","Quinethazone","Shikimic acid","Etomidate","1,2-Dioctanoylglycerol","(3R,4S,5R,7S,8S,9S)-3,8-epoxy-1,7di-hydroxydihyronepetalactone|jatamanin E","Bioadykinin Fragment 1-5","3b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide","1,6-Anhydro-N-acetyl-beta-muramate","Daphnoretin methyl ether","3-Hydroxyphloretin","Succinic semialdehyde","Canthaxanthin","9-methyl-8-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,9-dihydro-6H-purin-6-one","2-Amino-5-epi-valiolone","2-Biphenylol","Glycylvaline","N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide","Phthalic acid","Ferrugone","Mupirocin","(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate","Bosutinib","Dimethyl 5-sulphoisophthalate","2-(4-Fluoro-3-phenoxyphenyl)-3-hydroxy-4h-chromen-4-one","H-Tyr-Tyr-OH","2-(hydroxymethyl)-6-[[(1R,4S)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl]oxy]oxane-3,4,5-triol","Scymnol","Flaviolin","Anthemoside","Asparaginyl-Valine","(4bS,7R,8aR,9S,10S)-7-Formyloxy-4b,5,6,7,8,8a,9,10-octahydro-3,9,10-trihydroxy-4b,8,8-trimethyl-2-(2-propenyl)phenanthren-1,4-dion","trichilinin B","Ornithine","1-Octadecanoyl-sn-glycero-3-phosphoethanolamine","(2E,4E)-N-{3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}hexa-2,4-dienamide","AMASTATIN","Coumarin VI","2-Naphthyl beta-D-glucopyranoside","[1-[[1-[1-[[1-(2,3-Dihydroxypropoxy)-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]oxy-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl] 2-[2-[2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoate","Divaricatic acid","NSC288041","Nebramine","Curacin D","Nephroarctin","Benzamide","Olivetol","4-[(2R,5R)-3-hydroxy-5-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutanoyl]oxy-6-methyloxan-2-yl]oxypentanoic acid","6''-O-p-Coumaroyltrifolin","Dihydrotestosterone","2-Oxopimelate","Haematommone","Antimycin A","Chenodiol","4-Sulfobenzaldehyde","alpha-KETOBUTYRIC ACID","8,12-Diethylbacteriochlorophyllide d","Nitrendipine","2-[(9-Methyl-6-oxo-6,9-dihydro-1H-purin-8-YL)sulfanyl]-N-[4-(propan-2-YL)phenyl]butanamide","Allopurinol","3-hydroxyechinenone","methyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoate","Cyclo(-D-Tyr-Arg-Gly-Asp-Cys(carboxymethyl)-OH) sulfoxide","Medicagenic acid-3-O-glucopyranoside","Butyl 4-[(3,4-dimethoxybenzoyl)amino]benzoate","Abscisic acid, (+_-)-(2Z,4E)-","Rebimastat","Dodecyl-beta-D-maltoside","Benazepril","Duartin (-)","Sarmentoside B","Triamcinolone","Capensinidin","Cyanopeptolin C","5-Formyluracil","Quercetin 3,4'-dimethyl ether","Antibiotic SF 1739 HP","Methylsuccinic acid","3-(8-Hydroxyoctyl)phenol","Tetradecanedioic acid","stoloniferone O","Myrsinoic acid B","(13S,14R)-1,13-dihydroxy-N-methylcanadine","10-Deoxymethynolide","triferuloyl spermidine","tryptophylhistidyllysine","Benzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl-","Normurideoxycholic acid","LysoPE(14_0_0_0)","borneol","Tryptophylglycine","[3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]oxypropyl] (10Z,13Z,16Z)-docosa-10,13,16-trienoate","(+)-verrucosidin|Verrucosidin","Lividamine","NCGC00380382-01_C23H30O7_1-Phenanthrenecarboxylic acid, 10-(acetyloxy)-1,2,3,4,4a,9,10,10a-octahydro-5,9-dihydroxy-1,4a-dimethyl-7-(1-methylethyl)-4-oxo-, methyl ester","2alpha,3alpha,24-Trihydroxyurs-12-en-28-oic acid","Bonactin","Rubone","[5-(Acetyloxymethyl)-5-[3,5-diacetyloxy-6-(acetyloxymethyl)-4-hydroxyoxan-2-yl]oxy-3-hydroxy-4-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyloxy]oxolan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","4-Amino-4-deoxyprephenic acid","Valeric acid","2-Thio-PAF","Methyl Haematommate","3-Hexaprenyl-4,5-Dihydroxybenzoic acid","FA 12_2;O","Sodium_gluconate","cThz*-P","Benzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone","(E)-docos-11-enoic acid","L-(-)-(N-trans-cinnamoyl)-arginine","Pumiloside","cis-Zeatin riboside monophosphate","10-Azabenzo(a)pyrene","CAI-1","Flavonol base + 4O, O-Hex-dHex-Pen","3-Indoxyl sulfate","[2-hydroxy-3-[3,4,5-trihydroxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9E,12E,15E)-octadeca-9,12,15-trienoate","N-benzyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide","Cyclocalopin B","Cannabidiol","Hovenine A","Uridine diphosphategalactose","Testololactone","Butylparaben","Smiglaside C (Not validated)","(E)-9-hydroxy-11-(3-hydroxy-5-(1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acid","Citbismine C","Demethylmedicarpin","HYDRANGENOSIDE C","5-Phenyl-1,3-oxazinane-2,4-dione","trans-4-Methoxycinnamic acid","Protoporphyrinogen IX","Indole-3-Carboxaldehyde","Methyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate","Amidinostreptamine","(1R,2S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-2-N,3-N-bis[2-(4-hydroxyphenyl)ethyl]-6,8-dimethoxy-1,2-dihydronaphthalene-2,3-dicarboxamide","Meticrane","(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid","Isethionic Acid","Otosenine","6-Oxolividamine","3,4-dimethoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}benzamide","gamma-Mangostin","2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde","3-Hexaprenylcatechol","Calycanthidine","Hyodeoxycholic Acid","Cystoseirol A","3-Oxovalproic acid","1-nitrosonaphthalene","Tauroursodeoxycholic acid","6-sulfo-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acid","brevianamide F","Gilteritinib","4-Methyoxybenzoyl-N-glycine","4-(2-Aminoethyl)benzenesulfonyl fluoride","amphiasterin B1","2-O-caffeoylglucarate","De-O-methyldihydrosterigmatocystin","8-Prenylnaringenin","15-Hydroxy-7-oxodehydroabietic acid","Withametelin F|withmetelin F","4-Methyl-2-pentenoic acid","2-(3-Chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethan-1-one","5-Hydroxymethyl tolterodine","Ethyl hydrogen malonate","Aminolevulinic Acid","Carpachromene","8-Amino-7-(carboxyamino)nonanoate","(2S,3R,10R,13R,14S)-2,3,14-Trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-5,6-dimethylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one","2E-Dodecenedioic acid","Euphorbia factor L3","Chloramphenicol","Tricarballylic Acid","PG(18_1_18-Hete)","Salutaridinol acetate","Taurohyocholic acid","2-(3-Cyano-indol-1-yl)-N-[2-(1H-indol-3-yl)-ethyl]-acetamide","Butyl Gallate","Garcinone A","4-Pyridoxic acid 5'-phosphate","3-(Glucosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B","2-[5-[2-[2-[5-[2-[2-[5-[2-[2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine","N-Palmitoyltaurine","Petromyzonol","2-[(3R,8aS)-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]pentanedioic acid","Chanoclavine","2,2,2-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamide","Bazedoxifene","Soyasapogenol B base + O-HexA-Pen","Epimelibiose","7-Methyluric acid","Macluraxanthone","6-Amino-4-(4-hydroxyphenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","Acetildenafil","p-Dodecylbenzenesulfonic acid","Hypothiocyanite","6-Methoxy-alpha-pyrufuran","Skimmianine","Diketometribuzin","3,4-Diphenyl-7-hydroxycoumarin","2-[(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-3-ethyl-9,10-dimethoxy-5-oxido-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-5-ium","Tyrosyl-Leucine","Tetracosahexaenoic acid (24_6n-3)","Marckine","Dehydrocurvularin","beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine","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","Cytidine 3'-monophosphate","Biocytin","1-Methyluric acid","Isonicotinic Acid","2-Hydroxyglutaric acid","Glycohyocholic acid","Histidinohydroxymerodesmosine","Distearoyl phosphatidic acid","Mesalazine","Prulaurasin","(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid","8-Hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,7-dione","9,10-DiHOME","4-Hydroxyphenylglycolic acid","22-Hydroxydocosanoic acid","Aflatoxin ExB2","Lolitrem J","16-Hydroxypalmitic acid","rel-(2R,3R)-2-(4-hydroxyphenyl)-4-[(E)-1-(4-hydroxyphenyl)methylidene]-5-oxotetrahydro-3-furancarboxylic acid","Phaseolic acid","Diisopropyl phthalate","24-Hydroxycalcitriol","SCHEMBL16431292","Leucic acid, L-","4-(4-HO-PH)-6-ME-2-Oxo-1,2,3,4-4H-pyrimidine-5-carboxylic acid ethyl ester","Chol-11-Enic Acid","4-Chloro-2-methylphenol","Lignoceroylcarnitine","Trifluoroacetic acid","Dihydroplumericinic acid","Lithocholenic acid","Vinorine","Behenate","5-Oxoinosine","(2E)-N-[4-(acetylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide","Cyclovariegatin","PA 34_2","Tabtoxin","Proscillaridin","Nodakenin","Ganoderic acid J","Auricularine","Leukotriene E4","Ursocholanic acid","2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-","[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetate","Garcinolic acid","Hordatine A","7,8,2'-Trihydroxyflavone","4alpha-Formyl-5alpha-cholesta-8-en-3beta-ol","Gargalol B","S-(Indolylmethylthiohydroximoyl)-L-cysteine","(3Z)-Phycoerythrobilin","Tetrahydrocurcumin","11-Methylgerberinol","3-O-Acetyloleanolic acid","(-)-Bornyl acetate","5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanone","Leukotriene D4","1-Oleoyl phosphatidylethanolamine","Methyl Gibberellin A9","cis,cis-Muconic acid","JI-20A","JI-20B","Ammelide","Phaseollidin hydrate","Penipanoid A","N-(4-((5-(3-(2-Aminoethyl)-1H-indol-5-yl)-1,2,4-oxadiazol-3-yl)methyl)phenyl)methanesulfonamide","1,8,15,22-Tetraaza-2,7,16,21-cyclooctacosanetetrone","Withaferin A","Phenylalanine","4-methylthiobutanaldoxime","Magnoflorine","Presqualene diphosphate","SM(d18_1_0_0)","4-oxo-27-TBDMS Withaferin A","Di-tert-butyl dicarbonate","secologanin","10-Hydroxystearic acid","cis-Dihydroquercetin","Lauryl sulfate","Pyrogallol","Isocyclocalamin","6-Deamino-6-oxoparomomycin II","2-epi-Valiolone","4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","4,8 Dimethylnonanoyl carnitine","Leukotriene B5","norselic acid A","Uracil","Emedastine","NCGC00180760-02_C15H22O5_1H-3,9a-Methanocyclopent[c]oxocin-4-carboxylic acid, octahydro-4-hydroxy-7-(2-hydroxy-1-methylethylidene)-, (7E)-","[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate","Iodotyrosine","Tryptamine","Artonol B","ST 27_0;O2","(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","ST 27_0;O3","2-Hydroxybutyric Acid","methyl (1R,4aS,9S,10S)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-1-carboxylate","1-Octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)","3-[(4-benzylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one","2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one","Alkergot","Hemiphloin","7alpha-Hydroxypregnenolone","Tunicamycin V","Cholesterol sulfate","5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid","3'-Hydroxy-T2-triol","Chemodosimeter","SPB 18_2;O2","DL-Alanyl-DL-alanine","Pro-Phe","Isoplumbagin","Lucidenic Acid A","Harderoporphyrinogen","Val-Gly-Val-Ala-Pro-Gly","Succinic Acid","Ethyl 10-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridine-8-carboxylate","(9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acid","(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid","4-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamide","Turicine","2-Methyl-4-oxo-heptadecanoic acid","Lysylproline","Pregnenolone sulfate","Malate","Lysergic acid","Adrenic acid","LL-Z1272.Episilon.","1-(3-{[2-(Pentan-3-yl)quinazolin-4-yl]amino}phenyl)ethanone","p-Toluenesulfonic acid","5-Hydroxymethylcytosine","Isotabtoxin","Pseudooxynicotine","Nebramycin IV","Lomefloxacin","2-Hydroxy-4-methoxy-6-propylbenzoic acid","Glu Asn Ser","Eucommin A","Stachybotramide","Brucine, oxide","5,8-Dihydroxypsoralen","4-Ketoifosfamide","Scutalbin A","PS(18_0_14,15-EpETE)","Diallyl Trisulfide","5-Methoxyuridine","Glycochenodeoxycholate-3-sulfate","3,5-Dichloro-L-tyrosine","Methyl 2,3-O-isopropylidene-a-L-rhamnopyranoside","Hexacyclinic acid","1,2-Dihydroxy-7-hydroxymethylnaphthalene","5,7,4'-Trihydroxy-6-prenylflavanone","Roccellic acid","Biflavonoid-flavone base + 3O and flavanone base + 2O + 1MeO","Methyl margarate","Senegalensin","Benazeprilat","Cilastatin","CPA(18_1(9Z)_0_0)","Virolongin B","Sapidolide A","Val-Tyr-Leu-Arg","Cyromazine","Arabinosylhypoxanthine","(3R,4R)-7,2,4,2-tetrahydroxy-4,5-methylenedioxyisoflav-3-ene","NCGC00381443-01_C30H40O8_Androstan-16-one, 3,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-1-hydroxy-4,4,8-trimethyl-","Oleandolide","Glutamine","5-Amino-6-ribitylamino uracil","2-Pentylfuran","N-(4-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide","(+)-7-hydroxyxestospongin A|(+)-7-OH-Xestospongin A","OM-173alphaA","Quercetin 3,7,3,4-tetra-O-sulfate","Estragole","Tauro-alpha-muricholic acid","(Z)-5,8,11-trihydroxyoctadec-9-enoic acid","4-(3-Pyridyl)-3-butenoic acid","Averufin","Azimine","Pachyrrhizin","Bumetanide","trans-1,2-Dihydrobenzene-1,2-diol","typhasterol","11,20-Dihydroxysugiol","gibberellin A37","PC-M6","Trinexapac-ethyl","N-Acetyl-Muramic Acid","Excoecariatoxin","24,24-Dfhv","Linderoxide","4-Vinylphenol","Arachidonic Acid","Triammonium citrate","5-Hydroxyauranetin","5,7-Physcionanthrone-physcion","2-[[(1R)-2-[Bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acid","Amikacin","Benzoxazine-6-carboxylic acid","7-deoxyloganetic alcohol","Kipukasin H","Stizolobate","[1-hexadecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoate","Dihydromunduletone","L-Linalool","Hyrcanogenin","L-Prolinamide, N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-N-(2-(2-oxazolyl)-4-phenyl-5-thiazolyl)-","Indoleacetic acid","Aklavin","Quinacridone","LPG 19_1","Isolimonic acid","(3beta,20alpha)-3-Hydroxy-11-oxoolean-12-en-29-oic acid","Xanthurenic Acid","Starch acetate","Athamantin","8-hydroxymanzamine J","Glabrolide","Homopterocarpin","Furafylline","7-Hydroxy-2',4',5'-trimethoxyisoflavan","2-Hexyldecanoic acid","Tricetin","Coprocholic acid","Dolichol phosphate","ST 24_2;O4","(S)-Hemiketal","Propenoylcarnitine","12,13-Epoxy-9-octadecenoic acid","2,6-Di-tert-butyl-4-nitrophenol","Roccanin","trans-4-Aminocyclohexanecarboxylic acid","7alpha,25-Dihydroxy-4-cholesten-3-one","10-Methyl-11H-benzo[a]fluoren|10-methyl-11H-benzo[a]fluorene|10-Methyl-benzofluoren|10-Methylbenzofluoren|10-Methylchrysofluoren|8-Methyl-2,3-benzfluoren","SCHEMBL13641595","7-Prenyloxyaromadendrin","(+-)-Pantothenic acid","2-(Hydroxymethyl)pentanedioic acid","DG(15_0_22_5(4Z,7Z,10Z,13Z,16Z)_0_0)","Celereoin","UDP-N-acetyl-D-glucosaminuronate","Mandelic Acid","N-acetylcitrulline","6-deoxy-6-sulfo-D-fructofuranose","7-Methylxanthine","Isobutyrylglycine","N-Acetylglycine","Kamahine C","Uridine-Diphosphate-N-Acetylglucosamine","Thromboxane A2","2-Deoxy-L-arabino-hexose","Pentanamide","Tryptophyl-Arginine","Pannarin","3beta,4beta,5-Trimethoxy-4-hydroxy- (6_7)-2,2-dimethylpyranoflavan","3-O-beta-D-(6-O-linolenoyl)glucopyranosyl-gamma-pyranone","4-Hydroxy-2',4',6'-trimethoxychalcone","2-Hydroxyisovaleric acid, (R)-","Muronic acid","3,3',4'5-Tetrahydroxystilbene","Cobaltous Cation","Scaposin","(+)-Epicatechin","2-Methoxy-6-pentadecylbenzoic acid","3,4-Dihydroxyhydrocinnamic acid","Hemibastadin 2|hemibastadin-2","Coatlin A","N-Cyclohexylformamide","(E)-3,5-Dimethoxystilbene","Mailiohydrin","Tenofovir exalidex","5-Pyridoxolactone","Beta-phenyl-alpha,beta-unsaturated carbonyl derivative 4","Testolate","Protocatechualdehyde","Deoxypumiloside","L-Coprine","2-Hydroxynicotinic acid","Glycodeoxycholic Acid","Diphenyl ether","PC(16_1_20-HDoHE)","Dihydrorotenone","Isobavachin","Tripterifordin","Sedoheptulose 7-phosphate","3-Hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acid","Phosphatidylcholine lyso 20_4","(Z)-7-[(1R,3S,4S,5R)-3-[(E,3R)-3-Hydroxyoct-1-enyl]-6-thiabicyclo[3.1.1]heptan-4-yl]hept-5-enoic acid","N5,N5-dimethyl-4-nitro-2,1,3-benzothiadiazol-5-amine","PharmaGSID_47333","Xylitol","Methyl alpha-D-galactopyranoside","(2R,6S)-2,6-diaminoheptanedioic acid","(2E,4E,8E)-Piperamide-C9_3","ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoate","Methylmalonic Acid","LPE 18_3","28-Homobrassinolide","[8,8-Dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoate","Adipoin","Caffeoyl tyrosine","Withanone","1,4,7,10-Tetratert-butylperylene","Becatecarin","gamma-Tocotrienol","beta-D-N-Acetylmannosamine","Cochlioquinone A","1-(9Z-hexadecenoyl)-2-octadecanoyl-glycero-3-phospho-(1'-myo-inositol)","Riboflavin","ST 27_0;O6;S","Theasapogenol A","1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol","3-Methylorsellinic acid","3,6-diamino-5-cyano-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamide","Deoxyinosine","Coumarinic acid","maropitant","Juvenile hormone III","Kukoamine A","3-Glu(1-2)GluA Soyasapogenol B","SCHEMBL19252917","Difficidin","Dinoprost","PG 32_0","Pestalotiopsoid A","3'-Hydroxycinnamic acid","Paxilline","2-Methoxy-4-vinylphenol","indole-3-glycol","Indole-3-acetonitrile-glycylcysteine conjugate","Octadecanedioic acid","10beta,14beta-dihydroxytaxa-4(20),11-dien-5alpha-yl acetate","(R)-mandelic Acid","ent-7beta,14-dihydroxy-11alpha-methoxy-18-oxo-11beta,20-epoxy-kaur-16-en-15-one|macrocalyxin B","Myristyl sulfate","3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione","Flavonol 3-O-rutinoside","SUDCA-Sulfoursodeoxycholic acid","omega-Hydroxy-beta-dihydromenaquinone-9","coniferyl methyl ether","2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide","8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one","2-Aminovalienone","Silicristin","(2R,2'R,4'aS,6'R,8'aS)-2',4-dihydroxy-6-(hydroxymethyl)-1',1',4'a,6'-tetramethyl-spiro[3H-benzofuran-2,5'-decalin]-7-carbaldehyde","N-(3-Indolylacetyl)-L-isoleucine","Elwesine","Trihydroxycoprostanoic acid","Gingerglycolipid B","3-(2-Ethoxyphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one","Quinoline-3,4-diol","MGMG 18_2","Aljesaconitine A","MGMG 18_3","Otenzepad","5-Isobutyl-2-methyl-furan-3-carboxylic acid","3-Ethylphenol","Hypocrellin B","Glutaric acid","4-Ethylphenol","AFN911","Hydralazine pyruvate hydrazone","L-Olivosyl-oleandolide","(3S,4S,6aR,6bS,8R,8aR,12aS,14bR)-8-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid","5-[1,2,4a-Trimethyl-5-(propanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acid","BR-Xanthone A","D-4-Hydroxyphenylglycine","2-Methyl-4-propyl-1,3-oxathiane","Altenuene","NCGC00380658-01_C35H52O15_3-{[6-Deoxy-4-O-(beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide","1,2-Propadiene, 1-bromo-","Astringin","Asp Pro Ala","Phosphatidylcholine lyso 22_4","1-Hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)","Epoxomicin","Valylglutamine","5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","2-Ketogulonolactone","(S)-Rutaretin","Thaxtomin D","Picolinafen","Alloepipregnanolone","N-(4-fluorophenyl)-2-[2-oxo-4-(piperidin-1-ylcarbonyl)quinolin-1(2H)-yl]acetamide","Petasitenine","[2-(Hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid","9-Hydroxy-7-(2-hydroxypropan-2-YL)-1,4A-dimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acid","beta-D-erythro-Hexopyranos-2-ulose, 1,6-anhydro-3-deoxy-4-O-(phenylmethyl)-, dimethyl acetal","Doxorubicin","pterocellin F","Isopropylidenylacetyl-marmesin","2,7-dihydroxy-5-methyl-1-naphthoic acid","Aspicilin","episterone","Sophorol","19-Hydroxytestosterone","NCGC00180381-03_C20H24O7_2-Butenoic acid, 2-methyl-, (1aR,1bS,2aS,4R,4aS,7aR,8S)-dodecahydro-4-hydroxy-9a-methyl-3,7-bis(methylene)-6-oxobisoxireno[5,6_7,8]cyclodeca[1,2-b]furan-8-yl ester, (2Z)-","Glyceric acid","Ribosylhopane","PC 20_4","6-Oxo-G418","SCHEMBL1104923","OR-1896","(+)-Milnamide A","Alanylphenylalanine","ZINC12340662","2-Aminoisobutyric acid","Methylisopelletierine","2,8-Dimethyl-3-(pyrrolidin-1-ylmethyl)quinolin-4-OL","10beta-hydroxytaxa-4(20),11-dien-5alpha-yl acetate","Beta-Collatolic acid","15,16-Epoxy-9,12-octadecadienoic acid","N-[5-Methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamide","artobiloxanthone","NCGC00180746-02_C30H48O6_Olean-12-en-28-oic acid, 2,3,19,24-tetrahydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-","Atranone A","Delphatine","UDP-alpha-D-galactofuranose","Avermectin B1b aglycone","Imazamox","L-Homocysteic acid","Serylglycine","2-[(4S,5S,5aS,9aS)-4-methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-2-yl]pentanedioic acid","Enterodiol","Eicosanedioic acid","Cyanidin 3-O-galactoside","Bifonazole","4-Hydroxyphenylacetaldehyde","2-(Methylthio)-3H-phenoxazin-3-one","PC(20_5(5Z,8Z,11Z,14Z,17Z)_22_6(4Z,7Z,10Z,13Z,16Z,19Z))","Makisterone A","N-carbamoyl-beta-alanine","10,23,27-Trimethoxy-16,32-dimethyl-8,25-dioxa-16,32-diazaheptacyclo[24.6.2.13,7.19,13.019,24.029,33.017,35]hexatriaconta-3(36),4,6,9(35),10,12,19(24),20,22,26,28,33-dodecaen-11-ol","Acipimox","1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)","3-Sulfinoalanine","Triacetin","N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide","9H-1,7a-(Epoxymethano)-1H,6aH-cyclopenta[c]furo[2,3-b]furo[3',2'_3,4]cyclopenta[1,2-d]furan-5,9,12(4H)-trione, 3-tert-butylhexahydro-4,7b-dihydroxy-8-methyl-","Fumonisin A1","Losartan","4-Oxoniobenzoate","(9Z,11E,13S)-13-Hydroxyoctadeca-9,11-Dienoic Acid","Paspaline B","Emetine","PG(16_0_10-HDoHE)","Norgalantamine","S-Pyruvylglutathione","LPG 20_2","(S,S)-Nt-Histidinylalanine","5-[3-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-5-hydroxypentyl]-5,6,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid","LPG 20_1","Dolasetron","4,5-Dihydro-oligosporol B","Zafirlukast","4,5-Dihydro-drospirenone-3-sulfate","ST 28_0;O2","ST 28_0;O3","Mastigophorene C","2,4-Dihydroxybutanoic acid","cyclo(dehydrophenylalanyl-L-leucyl)","Avermectin B2a aglycone","FA 18_2;O2","1-epi-Valienol 1-phosphate","4-Hydroxycarbostyril","1-Vaccenoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamine","Docosa-2,4,6,8-tetraenoic acid","N-D-Ribosylpyrimidine","12,28-oxamanzamine E","Estriol 16-glucuronide","Mukonicine","Clarithromycin","methyl (Z)-(2-(3-hydroxy-5-oxo-4-phenylfuran-2(5H)-ylidene)-2-phenylacetyl)-L-phenylalaninate","Propentofylline","2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranoside","Butein","[6-[2-(3,4-dihydroxyphenyl)-8-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","Norverapamil","n,n'-diallyl-2,3-dihydroxysuccinamide","Secosterigmatocystin","Isofraxidin","2-[3-(Sulfooxy)phenyl]acetic acid","(1R,6R)-1,4,5,5a,6,9-Hexahydrophenazine-1,6-dicarboxylate","Picrasidine A","(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diol","Adenosine, 8-(butylamino)-N-cyclopentyl-","2,5-Dioxopentanoate","2-Isopropylmalic acid","taxa-4(20),11-dien-5-alpha-yl acetate","Corymbosin","Cycloeucalenone","pregnan-21-ol","Epilincomycin","Gibberellin A98","Lacidipine","3-Deacetylkhivorin","Leucyl-glycyl-glycine","1-[(3S,10R,12S,13S,14S,17S)-11,12,14-trihydroxy-3-[4-methoxy-5-[4-methoxy-6-methyl-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethanone","2-[(4-Tert-butylphenyl)formamido]acetic acid","2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate","1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid methyl ester","Perindopril","2,3-Dihydroxy-3-methylbutanoic acid","Sweroside","9,16-Dioxo-10,12,14-octadecatrienoic acid","ST 21_2;O5","Apraclonidine","(2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","Senegenin","Glycohyocholate","Secoeremopetasitolide B","5-Dehydroadenosine","Suberic acid","12_4+4O fatty acyl hexoside","5-Methylcytidine","Zearalenone","S-Acetylphosphopantetheine","Karion","(-)-Phylligenin","22-oxodocosanoic acid","Astemizole","Levoglucosan","4-Nitrophenol","4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane","Benzoic Acid","1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetate","Acetophenone","4-Hydroxyprotoasukamycin","2-{[(3,4-Dimethoxyphenyl)carbonyl]amino}-4-ethyl-5-methylthiophene-3-carboxamide","AKOS006369514","Coniferin","4,4-Diapolycopenedial","Acamprosate","Aristolic acid II","taxa-4(20),11-dien-5alpha,13alpha-diol","(2E)-N-(4-Acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide","Persicasulfide A","Erinacine P","6-Phosphogluconic acid","2-Oxopentanoic acid","Glu Val Ala","2-epi-5-epi-Valiolone 7-phosphate","3a-Hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acid","NCGC00168838-03_C30H46O5_(1R,2S,5aR,5bR,7aS,10R,12bR)-2-Hydroxy-10-isopropenyl-3,3,5a,5b,12b-pentamethyloctadecahydrodicyclopenta[a,i]phenanthrene-1,7a(1H)-dicarboxylic acid","Sulfobacin B","Pomonic acid","(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid","Mardepodect","N-ethylmaleimide","Bilirubin","4-(2,3-Dihydroxy-3-Methylbutoxy)Furo(3,2-G)Chromen-7-One","(1S,4aR,5S)-5-[(E)-5-methoxy-3-methyl-5-oxopent-3-enyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid","Cymarine","(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid","Lividic acid","Luminol","Leu-Leu-Pro","Oxymetholone","isopentenyl adenosine","4-O-Methylnorbelladine","Hesperetin","N-Acetyl-DL-glutamic acid","Divinyl chlorophyllide a","Licoisoflavone A","2-Hydroxy-3-methylpentanoic acid","amathamide G","PS(18_2(9Z,12Z)_22_2(13Z,16Z))","Dhesn","N-Methylserotonin","Atorvastatin","sphaerophorin","2-[(6-ethoxy-2-oxochromen-4-yl)methylsulfanyl]-1H-quinazolin-4-one","1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine","Procaterol","FA 18_2+4O","aminopyrrolnitrin","Thymol","Pyridoxine 5'-phosphate","Coformycin","3-Ketosucrose","SS-secoisolariciresinol","2,4,5-Trimethoxybenzoic acid","2-C-methyl-D-erythritol-4-phosphate","Acacetin-5-O-xyloside","CHEMBL465503","Pelanin","ST 28_1;O","Tolbutamide","2'-Deoxyadenosine 5'-phosphate","Stearic Acid","2'-Deoxyinosine triphosphate","FA 10_1","1,2,4,7-Tetraacetoxy-8-hydroxy-3-(4-hydroxyphenyl)dibenzofuran","[(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-butanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] 14-hydroxytetradecanoate","3-Methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acid","Benzoic acid, 2,4-dihydroxy-6-methyl-","Bacteriohopanetetrol","3-Benzoyloxy-11-oxo-12-ursen-28-oic acid","gamma-Curcumene","N-Acetylsulfadiazine","Preglabridin","Xanthohumol","Embelin","Cyclomethyltryptophan","barakol","5-Oxoavermectin 2b aglycone","2-Hydroxybenzenepropanoic acid","3,4-Dihydroxybenzoic acid","Notoginsenoside T1","Phosphatidylcholine lyso 17_0","[1-[[2,3-Dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[octadec-11-enoyl]oxypropan-2-yl] octadecanoate","D-Xylose","Lys Ser Asp","Dihydroalbocycline","5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b_3,4-b']dipyran-2-one","6-Maleimidocaproic acid","Linolenic Acid","N-Formylmethionine","Bergenin","Petasinoside","Fortuneine","Mg-Protoporphyrin IX 13-monomethyl ester","Delcorine","Picrotin","Methionine","1-O-Sinapoylglucose","13-Desoxyterpendole I","Albiflorin","4-isopropenyl-7-methyloxepan-2-one","2'-O-methylinosine","Flavin-Adenine Dinucleotide","Petromyzonol sulfate","6-Amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile","Trimegestone","Afrormosin","Amidinoproclavaminate","1-[2-(3,4-dimethoxyphenyl)-1-hydroxy-4-methyl-1H-imidazol-5-yl]ethanone","Octyl Gallate","3-GluA Soyasapogenol B","Citrinin","Methoxsalen","Sulfapyridine","Asparaginyl-Gamma-glutamate","3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acid","Tuftsin","Homopisatin","NCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydroxy-3-oxo-, (5xi,9xi,18xi)-","Resiniferatoxin","Lincomycin","Isepamicin","7-O-Methylapigenin 6-C-beta-D-glucopyranoside","Lithocholic Acid","3-Methyladipic acid","Pro Asp Gln","Sotalol","N-Fructosyl pyroglutamate","5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl)Benzene-1,3-Diol","Propioin","(17E,19E,21E,23E,25E)-4,6,8,10,12,14,16,27-Octahydroxy-3-(1-hydroxyhexyl)-17,28-dimethyl-1-oxacyclooctacosa-17,19,21,23,25-pentaen-2-one","Kaempferol","Deoxyuridine","Dihydrozeatin","Val-Val-Val","Phaseic acid","Perlatolinic acid","N-(1,3-dihydroxy-1-phenylpropan-2-yl)-3-(3-fluorophenyl)propanamide","2-acetyl-3,6,8-trihydroxy-1-methyl anthraquinone","Estrone glucuronide","Fumarate","N1-(alpha-D-ribosyl)-5,6-dimethyl-benzimidazole","(1R,3aR,5aR,5bR,9S,11aR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol","Chelirubine","2-Inosose","Phycocyanobilin","Nicotianamine","1,7-Dimethyluric acid","Norleucine","Antibiotic JI-20Ba","Homovanillic Acid","Gibberellin A44","Gibberellin A41","Undecylenic Acid","Epoxycytochalasin H","Dankasterone B","Tryprostatin A","alpha-Cyano-4-hydroxycinnamic acid","N-(1H-indol-3-ylacetyl)tryptophan","Sodium Isethionate","5-[(Z)-12-(3,5-dihydroxyphenyl)dodec-8-enyl]benzene-1,3-diol","BQ-123","beta-Muricholic acid","Tyrosine","Gitoxigenin","Apigenin 6-C-glucoside 8-C-arabinoside","Phosphatidylethanolamine lyso 18_1","Phosphatidylethanolamine lyso 18_2","3G8CFM4T9A","4-O-Demethylbarbatic acid","1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid","2-Hydroxyquinoline-4-carboxylic acid","Fumitremorgin B","17-Deoxycortolone","Benzo[a]pyrene-4,5-oxide","Gibberellin A51","Gibberellin A53","Fustin","Dysamide E","1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanone","Diheptyl phthalate","Ceanothine C","Isotectorigenin, 7-methyl ether","Crocetin","7-O-Dmethylcephaeline","N-acetyl-alpha-D-glucosamine","Linamarin","2-((2-((Dimethoxyphosphorothioyl)thio)-4-ethoxy-4-oxobutanoyl)oxy)-2-methylmalonic acid","Sarcodon scabrosus Depsipeptide","gamma-Linolenic acid","(1R,4R,5R,8R,9S)-9-formyl-5-methyl-13-propan-2-yl-2-[[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]tetracyclo[7.4.0.02,11.04,8]tridec-12-ene-1-carboxylic acid","FO 2546M","3-4-hydroxyphenyl-propionate","PC 38_7","Haematoxylin","Stachybotrydial acetate","DHKred","2,4,6-Trihydroxybenzoic acid","Gibberellin A24","2-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamide","Sulcatone","2H-1-Benzopyran-2-one, 7-hydroxy-4,8-dimethyl-","2-[3-(6-acetyloxy-2-hydroxy-6-methyl-3-oxoheptan-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","(-)-Homoeriodictyol","Gibberellin A15","Coumarin deriv","L-Cysteine","Gibberellin A17","N-Succinyl-L,L-2,6-diaminopimelate","Cholylmethionine","tyrosyltryptophyllysine","NCGC00385224-01_C24H42O12_6-Hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]dec-8-yl 6-O-[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)tetrahydro-2-furanyl]-beta-D-glucopyranoside","Ecliptasaponin A","N-acetylglucosaminylasparagine","Pulvinic acid dilactone","N-Amidino-scyllo-inosamine 4-phosphate","Phosphatidylinositol lyso 18_1","Glu-Val-Phe","Octaprenyl diphosphate","Anhydromarasmone","ent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)","Armillarisin A","1,6-Dihydroxy-3,8-dimethylxanthone","5-Formylbenzofuran-6-carboxylic acid methyl ester","5-Methylthioinosine","8-O-Methylrabelomycin","Oxoglaucine","Inosine","Liquidambaric","Diterpenoid EF-D","6-Hydroxy-3,4-dihydro-2(1H)-quinolinone","Thioproperazine","R.g.-Keto I","Chelerythrine","SCHEMBL4290912","Neohesperidin","Methyl-3-((2-nitrobenzoyl)amino)benzoate","3,6-Dichloropyridine-2,5-diol","N-Acetylmethionine","4-Decan-4-ylbenzenesulonic acid","N-hydroxyl-tryptamine","(R)-2-Benzylsuccinate","2-(Methylamino)benzoic acid","Cyclotriveratrylene","Anserine","3-[(1-Carboxyvinyl)oxy]benzoic acid","Flubenzimine","2-dehydrolubimin","3-Epiecdysone","(2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid","5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone","Fantofarone","Germine","Ala Asn Phe","Vanylglycol","Amidino-scyllo-inosamine","alpha-CEHC","Simonyellin","2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one","Sphinganine 1-phosphate","O-Methyl-L-Tyrosine","7-Bromo-benzo[1,3]dioxole-5-carbaldehyde","Homovanillic acid sulfate","LysoPC(P-18_0_0_0)","(E)-1-[1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-3-phenylprop-2-en-1-one","(S)-Columbianetin","Asperulosidic acid","2-cis,4-trans-xanthoxin","L-Gulonic acid, gamma-lactone","Protopanaxatriol","2-oxo-5-Methylthiopentanoic acid","Prephenate","15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acid","Medicagenic acid base-H2O + O-HexA","Cystathionine ketimine","4-Hydroxycinnamoylagmatine","3-epihydroxy-2-deoxymugineate","2-Hydroxyflavanone","9-methylthiononanaldoxime","8-oxogeranial","Benzoylformic acid","Dodecanedioic acid","Furylfuramide","hexahomomethionine","Tauroursocholic acid","Keto-pantoyllactone","Methyl 2-[[3-[(3,3-dimethyloxiran-2-yl)methyl]-4-hydroxyphenyl]methyl]-4-hydroxy-3-(4-hydroxyphenyl)-5-oxofuran-2-carboxylate","(1R,9R)-3,4,9-trihydroxy-11,11-dimethyl-5-(propan-2-yl)-16-oxatetracyclo[6.6.2.0(1),(1).0(2),]hexadeca-2(7),3,5-trien-15-one","3-Hydroxyhexadecanoic acid","Azcarpine","BL II","Salinomycin","Gingerol","N-Desmethyl sildenafil (UK-103,320)","phenazine-1,6-dicarboxylate","Sildenafil","2-Hydroxyisobutyric acid","Mycochromone","N,N-Dihydroxy-L-phenylalanine","Barceloneic Acid A","LysoPE(0_0_18_2(9Z,12Z))","N-Retinylidene-N-retinylethanolamine","Ezetimibe","3,3'-Bisanigorufone","trans-isoeugenol-O-glucuronide","Aloesone","6-Ketoestriol","Thymidine","(R)-3-phenyllactic acid","Alphitolic acid","P-1075","Pantetheine","1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)","26-Hydroxyecdysone","6-Chloro-3-hydroxypyridine-2,5-dione","4-Methylbenzoic acid","4-Hydroxy-2-methyl-3-oxo-4-farnesyl-3,4-dihydroquinoline-1-oxide","Alanylproline","P-Dichlorobenzene","N-Methylcalystegine C1","Magnoline","5-Oxo-1,2-campholide","25-Hydroxycholest-4-en-3-one","6-Hydroxy-3-methoxy-2-phenyl-4H-chromen-4-one","Phenytoin quinone","5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-one","Staplabin","7-Hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid","Oxypurinol","Genkwanin","PC 34_3","Chaetoglobosin N","Conyzatin","Methionine sulfoxide","Mitragynine","N-[4-(cyanomethyl)phenyl]-3,4-dimethoxybenzamide","PC 34_6","Corydamine","DHbetaE","(2S,4aR,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10,11-dihydroxy-2,6a,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2,4a-dicarboxylic acid","Ganoderic Acid G","Pluraflavin A","Azelaic acid","LysoSM(d18_0)","LysoPC(14_1(9Z)_0_0)","Ternatin","alpha-D-Glucose","1(4H)-Dibenzofuranone, 2,6-diacetyl-4a,9b-dihydro-3,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-","Candol B","Gnetifolin M","1,2-Difluoro-3,4-dinitrobenzene","N-(3-cyanophenyl)-2-[4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-oxoquinolin-1(2H)-yl]acetamide","ST 29_2;O3","2-Hydroxycanthaxanthin","2-Hydroxyphenylacetic acid","[(1R,2R,3R,4S,5S,7R,8R,9R,10S,14R,16R)-1,8,16-triacetyloxy-7-hydroxy-2-(2-hydroxyacetyl)oxy-5,9,12,12-tetramethyl-13-oxo-4-tetracyclo[7.6.1.03,7.010,14]hexadecanyl] benzoate","5'-Hydroxycotinine","N-Hydroxy phip","1-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-(pyridin-4-yl)methanesulfonamide"],"additional_accession":[]},"is_claimable":false,"name":"Metabolomic profiling of mouse colorectal tumor tissues and fecal samples following bacterial intervention","description":"This study investigated metabolic alterations in an AOM/DSS-induced mouse colorectal tumor model following bacterial intervention with Faecalibacterium prausnitzii and Peptostreptococcus stomatis. Targeted bile acid profiling and untargeted metabolomics were performed using LC-MS on colorectal tumor tissues and fecal samples from control and intervention groups to characterize changes in metabolic profiles associated with bacterial intervention.","dates":{"publication":"2026-09-24","submission":"2026-09-10"},"accession":"MTBLS15620","cross_references":{"HMDB":["HMDB0059643","HMDB0001231","HMDB0260295","HMDB0304236","HMDB0001886","HMDB0248231","HMDB0004244","HMDB0004684","HMDB0000244","HMDB0001235","HMDB0003157","HMDB0060336","HMDB0000315","HMDB0013318","HMDB0004696","HMDB0000230","HMDB0011618","HMDB0000806","HMDB0006900","HMDB0000168","HMDB0041821","HMDB0062656","HMDB0000638","HMDB0000318","HMDB0006284","HMDB0036565","HMDB0002117","HMDB0059611","HMDB0012209","HMDB0301818","HMDB0059614","HMDB0000228","HMDB0001865","HMDB0028933","HMDB0000944","HMDB0001964","HMDB0000301","HMDB0038365","HMDB0256485","HMDB0004284","HMDB0030180","HMDB0005994","HMDB0000870","HMDB0030325","HMDB0001553","HMDB0001172","HMDB0301695","HMDB0253910","HMDB0004826","HMDB0002366","HMDB0004077","HMDB0001301","HMDB0029638","HMDB0015084","HMDB0059849","HMDB0000929","HMDB0000440","HMDB0001024","HMDB0031404","HMDB0004290","HMDB0013809","HMDB0001432","HMDB0012289","HMDB0004193","HMDB0062503","HMDB0304222","HMDB0060370","HMDB0001238","HMDB0029757","HMDB0029306","HMDB0006872","HMDB0012183","HMDB0060366","HMDB0000670","HMDB0000734","HMDB0002639","HMDB0247696","HMDB0000754","HMDB0006218","HMDB0001473","HMDB0240687","HMDB0001431","HMDB0006816","HMDB0062619","HMDB0041922","HMDB0001063","HMDB0302085","HMDB0030024","HMDB0033855","HMDB0013248","HMDB0032133","HMDB0014389","HMDB0001000","HMDB0033249","HMDB0060345","HMDB0004225","HMDB0013139","HMDB0060446","HMDB0029310","HMDB0005801","HMDB0000130","HMDB0033843","HMDB0245602","HMDB0015655","HMDB0032943","HMDB0000086","HMDB0035777","HMDB0000201","HMDB0251308","HMDB0245378","HMDB0007973","HMDB0258432","HMDB0013716","HMDB0000300","HMDB0060054","HMDB0038244","HMDB0015317","HMDB0033009","HMDB0000791","HMDB0039448","HMDB0259275","HMDB0013863","HMDB0249648","HMDB0014813","HMDB0029579","HMDB0257365","HMDB0240774","HMDB0000921","HMDB0060655","HMDB0039773","HMDB0001058","HMDB0304544","HMDB0000194","HMDB0003464","HMDB0062175","HMDB0248778","HMDB0033701","HMDB0013626","HMDB0000125","HMDB0000267","HMDB0243539","HMDB0013658","HMDB0031688","HMDB0256856","HMDB0000763","HMDB0033141","HMDB0002250","HMDB0253127","HMDB0002596","HMDB0000112","HMDB0002005","HMDB0031810","HMDB0000594","HMDB0005065","HMDB0029130","HMDB0240732","HMDB0240366","HMDB0244579","HMDB0244074","HMDB0014760","HMDB0000696","HMDB0040986","HMDB0240578","HMDB0000645","HMDB0000756","HMDB0001565","HMDB0250932","HMDB0031303","HMDB0015394","HMDB0002189","HMDB0059911","HMDB0256817","HMDB0012559","HMDB0000067","HMDB0245253","HMDB0000251","HMDB0014336","HMDB0000124","HMDB0259815","HMDB0256127","HMDB0014800","HMDB0004610","HMDB0035710","HMDB0031812","HMDB0028955","HMDB0004257","HMDB0028994","HMDB0014961","HMDB0028691","HMDB0001341","HMDB0039528","HMDB0032358","HMDB0000177","HMDB0256598","HMDB0000068","HMDB0014386","HMDB0002339","HMDB0011533","HMDB0000157","HMDB0011180","HMDB0240259","HMDB0040797","HMDB0304820","HMDB0001539","HMDB0302447","HMDB0000953","HMDB0036792","HMDB0254979","HMDB0038569","HMDB0002100","HMDB0000320","HMDB0012252","HMDB0004998","HMDB0242558","HMDB0035500","HMDB0001161","HMDB0000853","HMDB0029586","HMDB0251511","HMDB0251509","HMDB0011567","HMDB0011564","HMDB0253028","HMDB0258967","HMDB0247297","HMDB0015567","HMDB0003374","HMDB0243890","HMDB0250718","HMDB0004080","HMDB0015217","HMDB0036425","HMDB0015094","HMDB0001406","HMDB0062763","HMDB0015462","HMDB0304227","HMDB0033412","HMDB0034127","HMDB0000738","HMDB0251530","HMDB0000210","HMDB0251528","HMDB0001173","HMDB0000824","HMDB0248211","HMDB0005081","HMDB0015345","HMDB0247446","HMDB0061054","HMDB0030008","HMDB0253405","HMDB0000801","HMDB0002038","HMDB0245980","HMDB0001066","HMDB0243551","HMDB0011152","HMDB0000064","HMDB0015073","HMDB0013127","HMDB0301804","HMDB0011472","HMDB0250799","HMDB0250922","HMDB0060475","HMDB0259842","HMDB0256275","HMDB0036458","HMDB0000182","HMDB0028906","HMDB0256832","HMDB0001257","HMDB0251067","HMDB0015503","HMDB0032985","HMDB0255996","HMDB0041329","HMDB0014731","HMDB0002823","HMDB0243510","HMDB0033939","HMDB0031398","HMDB0014341","HMDB0014621","HMDB0015644","HMDB0039685","HMDB0301836","HMDB0014257","HMDB0000917","HMDB0002369","HMDB0038343","HMDB0258979","HMDB0000562","HMDB0039867","HMDB0029905","HMDB0000716","HMDB0094696","HMDB0242151","HMDB0001537","HMDB0000279","HMDB0031044","HMDB0030120","HMDB0041284","HMDB0000038","HMDB0259906","HMDB0251309","HMDB0014426","HMDB0001940","HMDB0252691","HMDB0032023","HMDB0038231","HMDB0002263","HMDB0002013","HMDB0062801","HMDB0012329","HMDB0011175","HMDB0001325","HMDB0034695","HMDB0249030","HMDB0003072","HMDB0252992","HMDB0031846","HMDB0242698","HMDB0002504","HMDB0041806","HMDB0246466","HMDB0061822","HMDB0255262","HMDB0258887","HMDB0037793","HMDB0039588","HMDB0008048","HMDB0010379","HMDB0033502","HMDB0256087","HMDB0061640","HMDB0014944","HMDB0000269","HMDB0252440","HMDB0038291","HMDB0245150","HMDB0000292","HMDB0000736","HMDB0303452","HMDB0036074","HMDB0013041","HMDB024385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