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bases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/neg/Fp_Ps1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/fecal_untargeted/pos/Feces_Pos_Ps3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/pos/Ps2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/neg/CRTL3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/pos/Fp_Ps3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/neg/Tumor_Neg_Fp_Ps2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/fecal_untargeted/neg/Feces_Neg_Ps1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/tumor_untargeted/pos/Ps3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/pos/Tumor_Pos_Ps1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/neg/Tumor_Neg_CRTL1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/fecal_untargeted/pos/Feces_Pos_Fp_Ps1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/pos/CRTL2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/pos/Tumor_Pos_CRTL3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/tumor_untargeted/pos/Fp2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/pos/Fp1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/tumor_untargeted/pos/CRTL1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/fecal_untargeted/pos/Feces_Pos_Fp2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/tumor_untargeted/neg/Ps1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/fecal_untargeted/neg/Feces_Neg_CRTL1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/neg/Tumor_Neg_Ps2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/fecal_untargeted/pos/CRTL1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/tumor_untargeted/neg/CRTL2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/fecal_untargeted/pos/Feces_Pos_CRTL3.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/neg/Tumor_Neg_Fp2.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/tumor_untargeted/pos/Tumor_Pos_Fp_Ps1.rawftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620/FILES/zqy/tumor_untargeted/neg/Fp_Ps1.rawprimary200OKftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS15620<p>Metabolite features detected by untargeted LC-MS analysis were subjected to subsequent metabolite annotation and identification.</p>MetaboLightsPublicLiquid Chromatography MS - negative - reverse-phaseLiquid Chromatography MS - positive - reverse-phase<p>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.</p>Metabolomic profiling of mouse colorectal tumor tissues and fecal samples following bacterial intervention.Jingwen MaFudan University Shanghai Cancer Centercolonfecesmass spectrometry assay<p>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.</p>Mus musculushttps://www.ebi.ac.uk/metabolights/MTBLS15620Yongzhi 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.<p>Raw LC-MS data were acquired in positive and negative ion modes for subsequent untargeted metabolomic data processing and analysis.</p>Treatmentmjw13905271256@163.com<p>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.</p>MetabolomicsThermo Scientific Vanquish UHPLC SystemMetabolomicsMus musculuscolorectal canceruntargeted analysisThermo Scientific Orbitrap Exploris 120colontargeted metabolite profilingfecesuntargeted metabolite profilingThermo Scientific Vanquish UHPLC SystemMetabolomicsMus musculuscolorectal canceruntargeted analysisThermo Scientific Orbitrap Exploris 120colontargeted metabolite profilingfecesuntargeted metabolite profiling<p>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.</p>Carboprost Tromethamine12-Ethyl-8-isobutyl-3-vinylbacteriochlorophyllide dCorticosteroneL-CapreomycidineSaikosaponin Dpentalenolactone DBenzyl 2-methyl-3-oxobutanoateButlerin CMacowine1-Hydroxypyrene-7,8-oxidealpha-Artemisic acidtrans-MethylbixinPS(18_0_8,9-EpETE)2-[(3,5-dihydroxy-1,2,4-triazin-6-yl)amino]-N'-[(E)-phenylmethylidene]propanehydrazide (non-preferred name)TetaineKetoleucineReserpineN-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-oxo-2H-chromene-3-carboxamide2-linoleoylglycerol (18_2)2',6'-Dihydroxy-4'-methoxydihydrochalconeStachybotrysin CMethyl indole-3-acetate1-Hydroxy-2-naphthoic acidtauroallocholic acid2-Trimethylaminoethylphosphonic acidBafilomycin JN-oleoyltaurine6,8-Dihydroxy-2-methylmercaptopurinedapdiamide CPuromycin aminonucleosideSer Glu GlyUbiquinol-6NCGC00380993-01_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 diphosphateDoryaninProstaglandin E25-FluoromuconolactoneProstaglandin E14,4-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-diolPhosphatidylinositol lyso 20_49-HpodeNCGC00381046-01_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'-trimethoxyflavoneCauloside C[1-Hexadecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] octadecanoateHemibrevetoxin BQuillaic Acid4-Feruloyl-1,5-quinolactone5b-Cholestane-3a,7a,12a,23S,25-pentolErionic acid EMadecassic AcidTetrahydrocorticosteroneNovamethymycinverticilactam(S)-cis-N-MethylstylopinePinostrobin3-(Galactosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol BChenodeoxycholylmethionine4-Hydroxy-5-methyl-3-[2-methyl-1-(4-methyl-5-oxooxolan-2-yl)but-3-en-2-yl]chromen-2-oneCinnamic Acid2-(6-Hydroxyhexyl)-3-methylidenebutanedioic acidtetranor-PGFMstreptidine(6Z,10E,14E)-3,7,11,15,19-Pentamethylicosane-6,10,14,18-tetraene-1-olSalicylaldehydeTormentic 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-tetroneProstaglandin C11-HydroxyanthraquinoneSandaracopimaradien-3.beta.-olD-Aspartic Acidbatatasin IIINCGC00385359-01_C30H46O7_(3beta,8xi,9xi)-3-[(2,6-Dideoxy-3-O-methylhexopyranosyl)oxy]-14-hydroxycard-20(22)-enolideall-trans-Hexaprenyl diphosphate(5E)-3,4,9-trihydroxy-2-propyl-2,3,4,7,8,9-hexahydrooxecin-10-one(S)-3-Amino-3-phenylpropanoic acidCasearlucin KNeosaxitoxinTyr-Tyr-Tyr1-Stearoyl-2-oleoylphosphatidylethanolaminetrigochinin GHexestrolC19075Crustecdysone5,9_6,9-Diepoxy-4-megastigmeneMedicagenic acid 3-O-b-D-glucuronideSCHEMBL17867390PE(17_1e_18-HETE)EupatolideL-3-CyanoalanineGentamicin AGibberellin A44 diacidLabriforminGamma-GlutamylglycineNCGC00380734-01_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-methylhexopyranosideSapacitabineLeu-Ser-Pro3,4,5-Trimethoxyphenyl acetate(3R,5R)-1,7-Bis(3,4-dihydroxyphenyl)heptane-3,5-diyldiacetate4-Acetamidobutyric acidTorvoside GLepranthinDanshensuN-ArachidonoylglycineProstaglandin A1Glucobrassicin1-Benzyl-3-ethyl-4-hydroxyquinolin-2-onePolysorbate 60PlumbaginBisanhydrobacterioruberinTaurolithocholatePannaric acidHistidyltryptophyldiketopiperazineLeupeptin6-Glucosyl-3,4',5,7-tetrahydroxyflavanone5-O-[2-(4-Benzhydrylpiperazin-1-yl)ethyl] 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-3,4-dihydropyridine-3,5-dicarboxylateIsopropyl catecholMonoethyl phthalateFA 20_3;O4Phosphatidylethanolamine lyso alkenyl 18_19-OxoODE3-isochromanone6,8a-Seco-6,8a-deoxy-5-oxoavermectin 1b aglyconeL-AlloisoleucineAsparaginylhydroxyproline17,20,21-Trihydroxypregn-4-en-3-oneChlorophyll b8-apo-beta-CarotenolMacrocarpal BLinoleic acid6-hydroxy-3-isopropenylheptanoic acidEupatilin5-[2-(2-hydroxyphenyl)ethyl]-2,3-dimethoxy-phenol3-Hexen-1-olDipiperamide AGanoderenic Acid DCis-4-Hydroxy-D-Proline(9E)-12-hydroxyoctadec-9-enoic acidTaurocholic Acid6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone4-(Glutamylamino) butanoateCardiosperminVaccenic acidChlophedianolJaligonic acidPyridoxic AcidSecoisolariciresinol diglucosideN-Acetyl-L-tyrosine(S)-10,16-Dihydroxyhexadecanoic acidMuscapurpuringamma-GlutamylmethionineGibberellin A8PevonedistatThreonineGibberellin A4Flavanone base + 4O, O-Hex, C-PenG-418Gibberellin A33-Gal(1-2)GluA Soyasapogenol B3-(3-hydroxybutanoyloxy)butanoic acidMycobactinsTelmisartaniodophenolNitrofurazone3-[3-Methoxy-4-(sulfooxy)phenyl]propanoic acidIsomurolic acidUrocanic AcidAvermectin A1a aglyconeO-TigloylgymnemageninAlfatradiolN(4)-AcetylsulfamethazinePC(20_5(5Z,8Z,11Z,14Z,17Z)_P-16_0)Clindamycinpyrethrin IST 28_1;O3Bufotalin(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 acidL-Tartaric acid2-[(2,4,6-Trimethylphenyl)formamido]acetic acid2-Acetamido-3-methyl-pentanoic acid24-EpibrassinolideIxabepiloneC21306Prednisolonecis-Caffeic acidTricoumaroyl spermidineLamiidoside(R)-2-hydroxystearic acid7-Methylguanine8(R)-Hydroperoxylinoleic acidNCGC00380859-01_C20H26O5_(5xi,6alpha,7beta)-6,11,12-Trihydroxy-7,20-epoxyabieta-8,11,13-trien-20-onePLATYPHYLLENONE9,12,13-Trihydroxy-10-octadecenoic acidLupulonPregnanetriol 3a-O-b-D-glucuronide5-Chloro-N2-[1-(5-fluoro-2-pyrimidinyl)ethyl]-N4-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamineSupiculisporic Acid2,6-Dihydroxybenzoic AcidBenzeneacetonitrileMedicagenic acidResorcinol MonoacetatePipercideQuinolonesHis Trp Tyrsodium glycocholateS-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 acidIridotrialN-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-GlycineN-(2-hydrazinyl-2-oxoethyl)-3,4-dimethoxybenzamide2-Acetamido-3-(4-hydroxyphenyl)propanamideSulfuric acid 4-methoxyphenyl esterPC(P-16_0_18_4(6Z,9Z,12Z,15Z))Neurosporaxanthin6-Hydroxynicotinic acidIsovalineNCGC00380683-01_C21H32O7_2,4-Dihydroxy-5-methoxy-2a'',5a'',7''-trimethyldodecahydrodispiro[furan-3,2'-furan-5',6''-naphtho[1,8-bc]furan]-2''(2a''H)-one2-Methoxy-6,6-dimethyl-6H-dibenzo[b,d]pyran-9-carbaldehyde7-MethoxyrosmanolL-2-Amino-4-methylenepentanedioic acidChenodeoxycholic acid 3-sulfateCohumuloneNCGC00347372-02_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 acidN-StearoyltaurineTulipinolideCholesteryl caprylate2,4-Dichlorobenzoate1,3,7-trimethyl-5-hydroxyisourate2-Methyl-1-butanethiolNCGC00384635-01_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)acetate2,7-dihydroxy-4'-methoxyisoflavanone2-Methyl-5-isopropylhexa-2,5-dienal2,4-Pentanedione5-(Carboxymethyl)prolineNuatigeninTriptophenolideProclavaminate3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acidL-Oleandrosyl-oleandolideCP-4576772,3-dimethyl-6-geranylgeranyl-1,4-benzoquinolroquefortine D(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-onePantoic acid(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-oneFarrerolDocosanedioic acidMS000140172ArbekacinPelargonic acid1-Methyladenosine1-(2,3-Dibenzimidazol-2-ylpropyl)-2-methoxybenzeneD-RibosePoricoic Acid A3-(3,5-DIBROMO-4-HYDROXYPHENYL)PROP-2-ENOIC ACIDDihydrolipoamideAntioside1,7-Bis(4-hydroxyphenyl)hept-1-en-3-oneGanoderic Acid Am1Creosolbeta-D-glucosyl-N-hexadecanoylsphingosine3-Epigibberellin A19,10-EOT7alpha,26-dihydroxy-5beta-cholestan-3-one1-NaphtholL-Alanyl-gamma-D-glutamyl-L-lysinep-Cresol sulfateZinniolProbucolAvermectin A1b aglycone3-[(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-one3alpha,7alpha,24(S)-trihydroxy-5beta-cholestan-27-al7-O-Geranyl-2-O,3-dimethylflaviolinAVRAINVILLEOL(2-Neopentylallyl)succinic acidThioguanosine 5'-triphosphateLophenolD-Galactopyranuronic acid2-AminophenolTartronate semialdehydeTridecanedioic acidEprosartanPC O-19_0KAZINOL QAndrographolideIsoliquiritigeninOnonetinLuteolin 4'-sulfateAcetohexamide2-(4-Methoxy-benzoylamino)-4-methyl-pentanoic acid2,5-Dimethylresorcinol3,4-Dihydroxyphenylglycol O-sulfateMevinolinic AcidEdetic AcidCatechol6-Amino-1,4-dihydro-4-(4-hydroxyphenyl)-3-methylpyrano[2,3-c]pyrazole-5-carbonitrileNigakihemiacetal BDihydroshikonofuranHepoxilin A3NCGC00380128-01_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 AcidAsiatic Acid9-MethylxanthinePhosphatidylinositol alkyl 16_1-22_65-Methoxy-3,4-methylenedioxyamphetamine7-MethylguanosineSDCA-Sulfodeoxycholic acid5-Hydroxykynurenamine2-propan-2-yloxyethyl 7-(3,4-dimethoxyphenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylatealpha-Boswellic acidMethyl Sulfate3beta-Hydroxy-4,4-dimethylsteroid2-Naphthalenesulfonic acid(plus_minus)-SphaerosinST 27_2;O5EletriptanST 27_2;O3PS(18_0_17,18-EpETE)2',3-Dihydroxy-4,4',6'-trimethoxychalconeAspidocarpinePyrrole-2-carboxylic acidColumbamine20,21-Diprenylterpendole C1-(methylsulfanyl)-7-aci-nitroheptaneDoconexentAc-2,5,5-Tribromo-2,6,6-trimethylspirol[benzofuran-2(3H),1-cyclohexan]-3-olDehydrolithocholic acidBaconipyrone A18-Hydroxyoleic acid2-Keto-glutaramic acidDiketol2-Methoxyethyl 1-[2-(4-ethylphenoxy)ethyl]-5-hydroxy-2-methylbenzo[g]indole-3-carboxylate17-Hydroxyprogesterone2-(3,5-dihydroxy-1,2,4-triazin-6-yl)-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide8-Acetoxypinoresinol3-(2,5-Dihydroxy-6-methyl-3-propan-2-ylphenyl)-2-methyl-5-propan-2-ylbenzene-1,4-diolBeloranibSuccinic acid, sulfo-, 1,4-dioctyl esterUrea, (3,4-dichlorophenyl)-Chaetocyclinone B7-hydroxyolanzapine6,18,19-Trihydroxytrachyloban-2-one2-O-(alpha-D-glucopyranosyl)-D-glyceric acid5-(2-(Furan-3-YL)ethyl)-8A-(hydroxymethyl)-5,6-dimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid2-Thiouracil1-OleoylglycerophosphoinositolChlorprothixeneCortivazol3-Glucuronyl-22-DDMP Soyasapogenol B1-[(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 acid3-dehydroshikimatenepetinBctcCAY10622Tricin(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 acidNCGC00347421-02_C35H54O10_Olean-12-ene-23,28-dioic acid, 16-hydroxy-3-(beta-D-xylopyranosyloxy)-, (3beta,5xi,9xi,16alpha)-2-Amino-4,6-dinitrotolueneRisperidoneCiprosteneTritoqualinedaphlongeranine ABexaroteneBacterioruberin3-SuccinoylpyridineNCGC00380895-01_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 acid4-Methylmorpholine N-oxideN(beta)-Fumarylcarboxyamido-2,3-diaminopropionic acidKurarinonegamma-Glutamyl-gamma-aminobutyraldehydeHederagenin base-2H + 1O, O-AcetylHex6,8a-Seco-6,8a-deoxy-5-oxoavermectin 2b aglyconeIsorhapontigenin(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-oneButyl glucosinolateEnt-11beta-hydroxycassa-12,15-dieneSolidagolactone IIIKynurenic Acid2-Heptylhexanedioic acidCyclanilideTaurochenodesoxycholic acid6-Amino-3-ethyl-4-(4-hydroxy-3-methoxyphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileLPG 17_12-DimethylaminoethylphosphonateRotenoloneKetospirilloxanthinIsoxanthohumol(Sophora)Furostane base-2H + O-Hex1,2,4-BenzenetriolNSC3694033-Methyl-2-indolinone1-(11Z-docosenoyl)-glycero-3-phosphate8-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-dioneButirosin BNCGC00381328-01_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 acidLignicol1-nitronaphthaleneST 29_3;OlupinateCalystegin A3(3E,5R,6E,8S,9E,13S,14R)-5-Hydroxy-8-methoxy-5,9,13,14-tetramethyloxacyclotetradeca-3,6,9-trien-2-oneGamma-glutamyl-L-putrescineN-Acetyl-L-phenylalanine5-O-beta-D-Mycaminosyltylactone2-hexadecanoyl-3-O-beta-D-galactosyl-sn-glycerolDesthiobiotinDelphinidin1-Hexadecanoyl-sn-glycero-3-phosphoethanolamineDicaffeoylputrescine[3-[2-Aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate3-Hydroxyglutaric acidPG(18_1_11,12-Eet)ProtoemetineFenhexamid2-Hydroxy-3-(4-hydroxyphenyl)propanoic acid(5R)-Dihydrothymine3H-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 acidAndrastin CL-Isoleucyl-L-isoleucine2,3-Dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dioneSchisantherin ELeu-Arg-Asn-Arg10-Methylthio-2-decanoic acid7-AllyloxycoumarinElaeodendroside EDl-TryptophanDehydroxymethylflazineAcetoxystachybotrydial 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-one3-Pentadecacatechol diacetateDMG-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-tetraenoateLysine, DL-4,4-dimethyl-14alpha-hydroxymethyl-5alpha-cholest-8-en-3beta-ol4-[(E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid1-N',9-N'-bis(3,4,5-trimethoxybenzoyl)nonanedihydrazidevulpinic acid5'-Phosphoribosyl-N-formylglycinamide4-KetomyxolArtoflavanone(3S)-3-Hydroxy-L-enduracididine4-Hydroxyacetophenone4-hydroxyglutamate4-Chloro-5-sulfamoylanthranilic acidAtractylosideFA 6_0;O25-[2-(Furan-3-YL)ethyl]-8-hydroxy-5,6,8A-trimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acidBoc-Asp(OBzl)-OHGibberellin A14 aldehydeMet-enkephalinamideAlanine5-Aminovaleric acidMagnololMarmesin6-Ketoprostaglandin E1Propylparaben1-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamineAla-Glu-OHFlavocristamide BTragopogonsaponin K3-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 acid6-[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-oneCopalyl diphosphate3-Amino-3-deoxygentamicin A2Dehydropachymic acidOlean-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 acidUDP-2-acetamido-2,6-dideoxy-beta-L-taloseDesloratadine(7'R)-(+)-Lyoniresinol 9'-glucoside1-Dehydroxy-23-deoxojessic acid5-Bromotryptophanbeta-CitraurinN-acetylornithine17beta-Estradiol 3-sulfateNeobulgarone C_D2,3,14-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-carboxylateSebacic AcidMenadioneFuzilineLysoPC(18_3(6Z,9Z,12Z)_0_0)N'-[2-(Oxidanylcarbamoyl)phenyl]-N-phenyl-octanediamide2-Furoic acidCytidine 2',3'-cyclic phosphateHistamine dihydrochloride4-Nitrophenyl chloroformate(2E)-2-cyano-N-[2-(1H-indol-3-yl)ethyl]-3-[5-(morpholin-4-yl)furan-2-yl]prop-2-enamide3,5-O-Cyclodiospyrinantimycin A2|antimycin A2aTetracosatetraenoic acid (24_4n-6)taxol side chainSalvinorin APeimisinemagnesium;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 acid3-(4-Hydroxyphenyl)-1-propanol2-Oxoadipic acidnicalbin B3-Hydroxystigmast-5-en-7-oneNarbomycin(E)-3-(2,3-Dihydroxyphenyl)-2-propenoic acidDihydrothymineCurcuminBurseranHomomethionineCorosolic acid2-[(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 acidDehydro-4-methoxycyclobrassinin3,4,5-Trimethoxycinnamic acid2,3-Dihydroxybenzoic acid1-[(Phosphonooxy)methyl]ethane-1,2-diyl distearateNCGC00380550-01_C24H40O5_4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acidDiniconazole-M2-Hexadec-7-enylicosa-8,11-dienedioic acid(2S,3S)-3-decyl-2-hydroxy-2-(3-methoxy-3-oxopropyl)butanedioic acid[6]-Gingerdiol 3,5-diacetateEstronebeta-EthynylserineYardenone ATaurodeoxycholic Acid5-MethoxytryptopholN,N-dihydroxy-L-isoleucineN-{2-[(6,7-dimethoxyisoquinolin-1-yl)methyl]-4,5-dimethoxyphenyl}-3,4,5-trimethoxybenzamideStercobilinogenProstaglandin h2RamiprilNebramycin factor 5DTXSID008750939-Nitro-20(R)-camptothecinAspartamePlanaic acidConiferyl alcoholHelicin8-Hydroxy-7-methylguaninebenalfocin5-Amino-4-imidazole carboxylateLucidenicacidDLipoxin A4Oxopent-4-enoateNicotinic acid adenine dinucleotideOxoglutaric acidC12-linear alkyl benzene sulfonateBiotinbeta-CarbolineDisaccharides ((2Methyl-Hex)-Pen)lys-caAnastatin A2,2-Bis(4-hydroxyphenyl)-1-propanolTGSHLPE 15_06-Hydroxy-3-isopropenylheptanoateTrilobinePapilioerythrinonebistratamide 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-carboxamidebistratamide INakienone BPterodontoside DStachybonoid D16-oxo-palmitate3-Epicorosolic acidHyocholic Acid4,11,13,15-Tetrahydroridentin B4alpha-Carboxy-stigmasta-7,24(24(1))-dien-3beta-olNCGC00385731-01_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 acidAmarouciaxanthin A(1S,2S,4S,5R)-1,8-Epoxy-p-menthane-2,5-diolN-Hydroxy-L-tryptophanMurideoxycholic acid4-Chlorobenzoic acidmeso-Tartaric acidIsoquinoline N-oxide2,4(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)-TofisopamPseudouridineAlternaramideAsparaginyl-LysineL-ArabonolactoneBlumealactone B3-[2-(2,3-dihydroxy-5,6,8a-trimethyloctahydro-2H-spiro[naphthalene-1,2'-oxiran]-5-yl)ethyl]-5-hydroxyfuran-2(5H)-one2-Amino-2-deoxyisochorismateFarnesolLiqcoumarin6-HydroxymelleinTiglylcarnitineDidehydroagroclavine5a-Androstan-3b-ol17-Hydroxymethylethisterone(6E,10Z,14E)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid5-HydroxyconiferaldehydeIsovaleric acidSinapyl alcoholHexanoyllysine[2-[4-Acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3-hexanoyloxy-6-(hydroxymethyl)-5-pentanoyloxyoxan-4-yl] hexanoate3-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'-carbaldehyde1,3-Cyclohexanedione3-Methoxy-4,5-methylenedioxybenzoic acid3-Oxocholic acid(2R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-oneLysoPC O-16_1Ketotifen3,4,5-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-enoate3,5-DichlorocatecholTAUROLITHOCHOLIC ACID SODIUM SALTHexadecanedioic acidImatinibHelenalinOlean-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-dione1,3-Dideacetyl-7-Deacetoxy-7-Oxokhivorin16-Hydroxy-??-colubrineTilivallineIsomajdineAnamorelinIsorhynchophylline5-Hydroxy-7-[4-hydroxy-2-methoxy-3-(3-methylbut-2-enyl)phenyl]-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one1-Hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol)6-Hydroxy-6-methyloctanoic acidMonomethylsulochrinPG(18_1_17,18-EpETE)Biotin-X-NHSVamonolide2,4-dihydroxy-6-methyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzaldehyde3-{1-[6,7-Diethoxy-2-(morpholin-4-yl)quinazolin-4-yl]piperidin-4-yl}-1,6-dimethyl-1,2,3,4-tetrahydroquinazoline-2,4-dionePentadecanalmethyl 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-carboxylate9-methylprotocetraric acidPoacic acid6-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 acidN-AcetylthreonineLeuconicine G2-(3,4-dihydroisoquinolin-2(1H)-yl)-N-{4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}acetamideIle Ile AspIndoleacrylateIndolocarbazoleReserpic acid3-hydroxyaminophenolPalmatineCaesalpinj3-Geranylgeranylindole; 3-(Geranylgeranyl)indole2,3',4,6-TetrahydroxybenzophenoneN-[(2s)-2-Amino-2-Carboxyethyl]-L-Glutamic AcidGanoderic Acid C61-(2,4-Dihydroxyphenyl)-2-(3,5-dimethoxyphenyl)propan-1-one3-hydroxy-geranylhydroquinonePhthalimideGanoderic Acid C2Labdanolic acidApigenin 7-sulfateAcetamidopropanalDaphnetol5-Acetamidovalerate12,13-DiHOMEgilbertinCycloheximideNCGC00169307-02_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 glucosideSulfo jasmonate2-(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 acidMelilotoside4-Nitroquinoline N-oxideCerebrocrastLysoPC(18_4(6Z,9Z,12Z,15Z)_0_0)CortexoloneForasartanTaurochenodeoxycholate-3-sulfateErigerosideBenzoic acid, 3-(6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidine-5-sulfonylamino)-Sekikaic acid(1S)-(+)-Ketopinic acid5-Hydroxyemedastine17-(3-Pyridyl)-5,16-androstadien-3beta-acetateStipitatateC4-Sulfotetralin alkyl carboxylic acidST 28_2;O2Bis-ferulamidobutaneElastin5-MethylthioriboseLinderalactone9-DemethylmunduseroneST 28_2;O4(+)-Dehydrovomifoliol8-Hydroxyhyperforin 8,1-hemiacetal17-Hydroxyandrostane-3-glucuronideSenkyunolide J7-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]DesmeninolDiadinoxanthin12,13-Dihydroxy-9-octadecenoic acid4-HydroxydebrisoquinePalythoalone ASophoraflavanone G8-Methylthio-2-octanoic acidNaphthyl dipeptide(13S)-13-hydroxyoctadeca-9,11-dienoic acidP 518PYRIDAFENTHIONPedilstatinIvacaftor1-Methyl-2-nitro-1-nitrosoguanidine3-dehydro-6-hydroxyteasteronePaspalicine2,11,20,29,37,38,39,40-Octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetracontaneRuboxistaurinGinsenoside Rg5alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACIDN-(1H-indol-3-ylacetyl)alanineN-(Carboxymethyl)-N-(2-((carboxymethyl)amino)ethyl)glycineLeucyl-leucyl-tyrosine13-keto-9Z,11E-octadecadienoic acid2-(9H-Purin-6-ylsulfanyl)-N-(1,1,3,3-tetramethylbutyl)acetamide8-methylthiooctanaldoximevamorolone1-Ethanone, 1-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]-8-[3-[(2E,5E)-octa-2,5-dienyl]oxiran-2-yl]octanoic acid3,4,5-trimethoxy-N-(2-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-6-yl)benzamideErucic Acidnaphthalene-1,2,4,8-tetrolnoracymethadol6,2'-DihydroxyflavoneCitronellyl cinnamate4,4-Diapo-psi,psi-carotene-4-oic acidAbietinal4alpha-carboxy-5alpha-cholesta-8,24-dien-3beta-olAristospan17-Hydroxypregnenolone sulfatem-tyrosine4alpha-methyl-cholesta-8-enolPregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11beta)-Emodin2-Acetyl-4,5-dihydrothiazole7alpha,12alpha,26-trihydroxycholest-4-en-3-oneValineTolcapone2-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-4-methylpentanoic acidRupatadineFlavanone, 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-one3-(1,2-Dihydroxypropyl)-1,6,8-trihydroxyanthracene-9,10-dioneColensoic acidLPG 22_4Paromomycin10,11-epoxy-3,11-dimethyl-7-ethyl-2,6-tridecadienoic acidDihydrobiopterinCholyl lysineDihydro-2,4,6-tris(2-methylpropyl)-4h-1,3,5-dithiazinePhosphatidylethanolamine lyso alkenyl 164-Methyl-5-nitrocatecholGalantamineCapsaicinHeliocide H2[1-[(Z)-hexadec-9-enoyl]oxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate7-ketolithocholic acidEquol 7-O-glucuronide2-Amino-3-carboxymuconic acid semialdehydePhosphatidylethanolamine lyso alkenyl 18MG(20_3(5Z,8Z,11Z)_0_0_0_0)UbenimexNeobavaisoflavone7-Sulfocholic acidMeleagrine15-keto PGI2(3R)-3-hydroxy-16-methoxy-1,2-didehydro-2,3-dihydrotabersonine6-bromo-N-(2-ethyl-6-methylphenyl)quinazolin-4-amineUDP-2-acetamido-2-deoxy-3-dehydro-alpha-D-glucopyranoseSCHEMBL162260543-Hydroxy-2-naphthoic acidPyroglutamylisoleucineLotaustralin6-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|villosinol4-(Ethoxymethyl)-2-methoxyphenol3-carboxy-4-methyl-5-propyl-2-furanpropanoate (CMPF)D-Galactopyranosyl-(1->3)-D-galactopyranosyl-(1->3)-L-arabinosePaspaline15,16-DihydrobiliverdinLysoPE(0_0_20_1(11Z))3-Dehydro-2-deoxyecdysoneIndole-3-lactic acidKanamycin 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-tetraenoate2-Amino-4-methoxyphenolrhodexin AAflatoxin GM2Benzyl AlcoholAflatoxin GM1[1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecanoyloxypropan-2-yl] (8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoate10-Hydroxydecanoic acidEverninic Acidmonacolin J acid7,7'-Dihydroxy-6,8'-bicoumarinMethyl 2-(methylthio)butyrateN-acetyl-DL-aspartic acid3-Rha(1-2)Ara(1-2)GluA-22-DDMP Soyasaponenol BBancroftinone3-Hydroxymandelic acid3,4-DihydroxymandelonitrileLysylphenylalanineTazobactamNeomethymycinGrossamideFAL 16_113-Oxo-9,11-tridecadienoic acid3,15-dibenzyl-1,4,12-trimethyl-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentoneN-(2-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-3,4-dimethoxybenzamideNeoxanthin4-Hydroxy-2-methoxy-6-methylbenzoic acidAlditol 6-phosphate1,2-DimethoxybenzenePC 18_1methyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylate4'-HydroxyflurbiprofenPegaptanibNCI60_031845Trigoforinheteroclitin I|kadsuphilol ESCHEMBL14765177(2E)-N-[4-(acetylamino)phenyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide2-Hydroxyadipic acid3-AminophenolDroperidolNetilmicinArctigenin4-[5-(7-hydroxy-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl)-3-methylpentoxy]-4-oxobutanoic aciddalcochininN(1),N(8)-bis(sinapoyl)-spermidine2-Hydroxy-22-methyltetracosanoic acidLevonorgestrel acetateLPC 16_0Nalbuphine1,7-Bis(4-hydroxyphenyl)-5-methoxy-3-heptanoneRosmarinic acid(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid4-(2,4-Dihydroxy-3,5-dimethylbenzoyl)oxy-2-hydroxy-3,5-dimethylbenzoic acidCarbadox7-Formyldehydrothalicsimidine2-Methylquinoline-3,4-diol6-oxocampestanolOsajinValidone 7-phosphateEthyl glucuronide5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-8-Enyl)Benzene-1,3-Diolbeta-Boswellic acid acetateDibenzylbutyrolactoneWithaperuvin ERoridin LLariciresinolAsp Ile SerAlizarin Red7-methylthioheptanaldoxime6,7-Dihydroxybergamottin3beta-hydroxy-5-cholestenoateO-DemethylfonsecinPE(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-benzenediol9-hydroxy-10E,12Z-octadecadienoic acidLithocholic acid glucuronideCBMicro_028629BenzenamineRoridin CSanguinarineNCGC00381308-01_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 acid7,3',4',5'-TetrahydroxyflavonePhosphatidylinositol lyso 16_0Ferulic acid1-hexadecyl-glycero-3-phosphate1,7-Bis(3,4-dihydroxyphenyl)heptan-3-yl acetate4-Hydroxy-3,5-dimethoxycinnamic acid3alpha,7alpha-Dihydroxycoprostanic acidNaringenin 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 acidN-AcetylserotoninAloin AAla-Ile2-(2,2,3-trimethyl-4-oxocyclopentyl)acetic acidCycloartomunin2-DeoxycrustecdysoneDipalmitoyl phosphatidylinositolfumagillin(S)-N-Methylcanadine21,22-Diprenylpaxilline2-Methoxy-1-(2,4,6-trihydroxyphenyl)ethanoneLysoPE(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-diol3-Hydroxykynurenine3-hydroxy-L-kynurenine2-Acrylamido-2-methyl-1-propanesulfonic acid3-[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-olSpecneuzhenide5Hpp-33Ohobanin3-Hydroxytetradecanoic acid8,13-Abietadien-18-oic acid3-Mercaptolactic acid1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-oneN-acetyl-D-tryptophanUzarinStemar-13-eneThienorphineMycophenolic AcidNCGC00384610-01_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 acid6-Oxoneomycin CCleromyrine I5-(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-one2-Hydroxycinnamic acid, (2E)-ST 29_2;Oalisol C 23-acetate7-Methoxy-6-(1,2,3-trihydroxy-3-methylbutyl)chromen-2-oneChlorophyllide aDiketogulonic acid2,4-DinitrophenolHumulone6,7-Bis(hydroxymethyl)-1-methoxy-8-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydronaphthalene-2,3-diolNcgc00385798-01_C31H43N7O6_1-(2-Hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanoneRishitinCitalopram N-oxide2-Hydroxyhexadecanoate4-[(1R)-2-amino-1-hydroxyethyl]phenolLiquiritigenin(2S)-3-(4-hydroxyphenyl)-2-(3-oxobutylamino)propanoic acidCOUMARIN, 7-HYDROXY-3-(p-METHOXYPHENYL)-4-PHENYL-VomifoliolArgCANateglinidey-MorphineST 27_1;O3ST 27_1;O2NCGC00180415-03_C30H46O6_Urs-12-ene-24,28-dioic acid, 3,19-dihydroxy-, (3beta,5xi,9xi,18xi)-D-SerineNorrangiformic acidST 27_1;O43,5_4-Trihydroxycyclohexa-1,2-dioneIsobutyric acidbeta-Apo-4-carotenalBacteriochlorophyllide b2,2,3-trihydroxybiphenylBenzyl 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-one6,7,8-trihydroxycoumarinPhytylplastoquinol3-(3-sulfooxyphenyl)propanoic AcidO-acetylhomoserineIsomuronic acidAllophanic acidOuabainMethyl 2-[(4-acetamidophenyl)formamido]acetateNervonic Acid2,4-Diaminobenzenesulfonic acidPanthenol3-PhosphoadenylylselenateLucidenic acid NLucidenic acid GN-Cyclopropylammelide5-Acetyl-9,9-dimethyl-6-(3-propoxyphenyl)-6,8,10,11-tetrahydrobenzo[b][1,4]benzodiazepin-7-one(S)-2-(2-Benzamidoacetamido)-3-phenylpropanoic acidEthylmalonic acidPantethineN1,N10-Bis(p-coumaroyl)spermidine2,6-Dioxo-6-phenylhexanoateDinoflagellate luciferinStigmatellin YHexahydro-2',3alpha-dimethylspiro[1,3-dithiolo[4,5-b]furan-2,3'(2'H)-furan]3-HydroxybenzaldehydeAllocholic acidN-[2-(2-methyl-1H-indol-3-yl)ethyl]-2-nitrobenzamideCucurbitacin IErythronolide B2-Hydroxyacetanilide4-oxo-3,4-dihydroquinazoline-2-carbohydrazideN-(5-oxo-2-phenyl-5H-chromeno[4,3-d]pyrimidin-4-yl)acetamideEpoprostenol(2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid(3S)-3-Methyl-2-oxopentanoic acidCypridina luciferinArginine, N2-benzoylOkaramine A5,7-Dihydroxy-3,6,8,3,4-pentamethoxyflavoneAflatoxin b1 epoxideNCGC00380709-01_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-trione2-Dodecoxyethyl hydrogen sulfateMaslinic acidPC 36_5ST510336377-[(2-fluorobenzyl)oxy]-4-methyl-2H-chromen-2-oneilexgeninABovinic acidNalidixic Acid7-Ketodeoxycholic acid4-Hydroxybenzalacetone3-Hydroxy-5,5,8a-trimethyl-3,4,4a,6,7,8-hexahydronaphthalene-2-carboxylic acid17a-HydroxypregnenoloneAflatoxin B1 diolLacinilene CAmorfrutin 2N-(2,3-Dihydroxypropyl)valineEcdysone<i>ortho<_i>-hydroxyatorvastatin2-Hydroxy-4-methoxy-6-pentylbenzoic acidMelilotigeninTaurocholic acid 3-sulfateBiochanin APhysagulin 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-hexaenoateAndrosterone4-Hydroxybenzotriazole13-HpodePhenyl beta-D-glucopyranosideGentamicin X22-Hydroxy-6-ketononatrienedioateAurachin D2-Hydroxy-6-pentadecylbenzoic acid3-Deoxo-4b-deoxypaxillineCarbamoyl cholesterolDAMGOGlucurolactone4-((1Z)-3-oxo-3-phenylprop-1-enyl)phenyl 4-fluorobenzenesulfonateColupuloneAlpha-Hydroxyhippuric acid4-methyl-11-(4-sulfophenyl)tridecanoic acid3-Hydroxysebacic acidAlpha,beta-dehydrocurvularinDeoxycholate1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-oneAvermectin 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 butanoateGly Ile IleBayogenin base + O-Hex, O-Hex-HexAndrosterone sulfate2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-onecis-Trihomoaconitic acid(2S)-2-hydroxypentanedioic acidMethyl jasmonateIsoacoramone10-acetyl-11-(4-methoxyphenyl)-3-methyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-oneMethyl 5-cyano-2-methyl-6-methylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3-carboxylatePhenyl hydrogen sulfateUndecanedioic Acid12-Hydroxystearic acid4-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 acidOkenone(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-olNCGC00380384-01_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 acidKurramine 2beta-N-oxide3,5-Dihydroxybenzoic AcidAngeolideOxidized Cypridina luciferinbeta-N-ACETYL-D-GALACTOSAMINEBenzoylmesaconineHydroxy-methoxy cinnamic acid(2r,3r,5s,6r)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol3,4-Dihydroxy-5-(3-methylbut-2-enyl)-2-(2-methyl-1-oxobutyl)-4-(4-methyl-1-oxopent-3-enyl)cyclopent-2-en-1-oneImidazolone acetate9,10-Epoxystearic acidPalmitic AcidPomiferinAldoifosfamide(6beta,7alpha,12beta,13beta)-7-Hydroxy-11,16-dioxo-8,14-apianadien-22,6-olideCratoxyarborenone Eanthosamine B|N-Me-Anthosamine A2,22-Dideoxy-3-dehydroecdysoneN-Acetyl-L-leucine26-hydroxybrassinolide1H-Imidazo[1,2-b]pyrazole2-[(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino]-N'-[(1E)-(4-hydroxy-3-methoxyphenyl)methylene]acetohydrazide2-methyl-6-geranylgeranyl-1,4-benzoquinol4-methyl-N-[3-methyl-4-(2-oxo-2H-chromen-3-yl)phenyl]-3-nitrobenzamideN-Methyl-L-glutamic acidmagnesium;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 acidIsocolumbinMammea A_BBThreonatePhenylacetic Acid1-{2-[(2,4-difluorophenyl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide25-Hydroxyvitamin D3 3-sulfate esterDinosebProstaglandin F1aAlbonoursin6,11-Dioxododecanoic acidPropapyriogenin A2Gardnutine3-HYDROXY-4-(SUCCIN-2-YL)-CARYOLANE delta-LACTONEChloridazon catecholSchaftosideMyrtenalMycophenolic acid IVgrayanotoxin I5-Hydroxy-N-formylkynurenineErythrulose 1-phosphateStrevertene A3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acidDasypogalactonePhloroacetophenone2-(Hydroxymethyl)-6-(2,20,21-trihydroxydocosan-3-yloxy)oxane-3,4,5-triolCoumestrol(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavanMonomethyl glutarate2-[(2S,4aR,8aS)-2-hydroxy-4a-methyl-8-methylidene-3,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]prop-2-enoic acid5-Dehydro-6-demethoxyfumagillolL-rhamnofuranose2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazolineEthyl gallate(R)-Kanzonol Y4,2'-Dihydroxy-3,4',6'-trimethoxychalconeZ-Tyr-Leu-NHOHSterol 3-beta-D-glucosideMammea C_AB cyclo D(7Z,10Z,13Z,16Z)-DocosatetraenoylcarnitineEthyl Myristatep-Menth-1-en-9-ol acetateIsopentenyldehydrorhodopinFA 20_5;O3ValdecoxibCitrullineCastasteroneGlyceocarpinN-Methylnuciferine4-Hydroxy-3',6-dimethoxy-5'-methylspiro[1-benzouran-2,4'-cyclohex-2-ene]-1',3-dioneHydroxypyruvic 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 acidDihydroergotamineIndigoDulcidiol4,4-Diapolycopene-4,4-dioatedipropyl phthalate(2E)-Decenoyl-CoAMachaeriol D2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-methoxy-5-(2-phenylethyl)phenolThymidine 5'-triphosphateRoquefortine HN2-Succinyl-L-ornithineEstradiol(1R,2R,4S)-limonene-1,2-diol12-Ketodeoxycholic acidSultopride2-Hydroxyestrone-1-S-glutathione3-Phenyl-DL-Serinepicrodendrin Y1-{2-[(2-fluorophenyl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide4-Methylcatecholhydroxyoctadecenoylcarnitine1,2-Dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolineGlutaminylprolineFexofenadine6-Methylmercaptopurinegliocladine DMalonuric acid3,7,12-Tris(acetyloxy)cholan-24-oic acid2-[[3-(Decanoylamino)-2-decoxy-propoxy]-hydroxy-phosphoryl]oxyethyl-trimethyl-ammoniumGlutaminylisoleucine2,3-Quinolinedicarboxylic acidDehydrocarpaine IDihydroasparagusic acid2-Hydroxypentanoic acid3,4,5-trimethoxy-N-[2-[(3,4,5-trimethoxybenzoyl)amino]phenyl]benzamide2,6-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-oneLysoPA(19_0_0_0)Taurohyodeoxycholic acidFusarindinACMC-20lajd3a,21-Dihydroxy-5b-pregnane-11,20-dioneQuinethazoneShikimic acidEtomidate1,2-Dioctanoylglycerol(3R,4S,5R,7S,8S,9S)-3,8-epoxy-1,7di-hydroxydihyronepetalactone|jatamanin EBioadykinin Fragment 1-53b-Hydroxy-6b-(3-chloro-2-hydroxy-2-methylbutanoyloxy)-7(11)-eremophilen-12,8b-olide1,6-Anhydro-N-acetyl-beta-muramateDaphnoretin methyl ether3-HydroxyphloretinSuccinic semialdehydeCanthaxanthin9-methyl-8-{[3-(trifluoromethyl)benzyl]sulfanyl}-1,9-dihydro-6H-purin-6-one2-Amino-5-epi-valiolone2-BiphenylolGlycylvalineN-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamidePhthalic acidFerrugoneMupirocin(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoateBosutinibDimethyl 5-sulphoisophthalate2-(4-Fluoro-3-phenoxyphenyl)-3-hydroxy-4h-chromen-4-oneH-Tyr-Tyr-OH2-(hydroxymethyl)-6-[[(1R,4S)-2,2,4-trimethyl-3-oxabicyclo[2.2.2]octan-5-yl]oxy]oxane-3,4,5-triolScymnolFlaviolinAnthemosideAsparaginyl-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-diontrichilinin BOrnithine1-Octadecanoyl-sn-glycero-3-phosphoethanolamine(2E,4E)-N-{3-[(1E)-3-oxo-3-phenylprop-1-en-1-yl]phenyl}hexa-2,4-dienamideAMASTATINCoumarin VI2-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-methylbutanoateDivaricatic acidNSC288041NebramineCuracin DNephroarctinBenzamideOlivetol4-[(2R,5R)-3-hydroxy-5-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutanoyl]oxy-6-methyloxan-2-yl]oxypentanoic acid6''-O-p-CoumaroyltrifolinDihydrotestosterone2-OxopimelateHaematommoneAntimycin AChenodiol4-Sulfobenzaldehydealpha-KETOBUTYRIC ACID8,12-Diethylbacteriochlorophyllide dNitrendipine2-[(9-Methyl-6-oxo-6,9-dihydro-1H-purin-8-YL)sulfanyl]-N-[4-(propan-2-YL)phenyl]butanamideAllopurinol3-hydroxyechinenonemethyl (2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoateCyclo(-D-Tyr-Arg-Gly-Asp-Cys(carboxymethyl)-OH) sulfoxideMedicagenic acid-3-O-glucopyranosideButyl 4-[(3,4-dimethoxybenzoyl)amino]benzoateAbscisic acid, (+_-)-(2Z,4E)-RebimastatDodecyl-beta-D-maltosideBenazeprilDuartin (-)Sarmentoside BTriamcinoloneCapensinidinCyanopeptolin C5-FormyluracilQuercetin 3,4'-dimethyl etherAntibiotic SF 1739 HPMethylsuccinic acid3-(8-Hydroxyoctyl)phenolTetradecanedioic acidstoloniferone OMyrsinoic acid B(13S,14R)-1,13-dihydroxy-N-methylcanadine10-Deoxymethynolidetriferuloyl spermidinetryptophylhistidyllysineBenzoic acid, 2-hydroxy-4-methoxy-3,6-dimethyl-Normurideoxycholic acidLysoPE(14_0_0_0)borneolTryptophylglycine[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|VerrucosidinLividamineNCGC00380382-01_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 ester2alpha,3alpha,24-Trihydroxyurs-12-en-28-oic acidBonactinRubone[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-enoate4-Amino-4-deoxyprephenic acidValeric acid2-Thio-PAFMethyl Haematommate3-Hexaprenyl-4,5-Dihydroxybenzoic acidFA 12_2;OSodium_gluconatecThz*-PBenzyloxycarbonyl-Val-Ala-Asp(OMe)-fluoromethylketone(E)-docos-11-enoic acidL-(-)-(N-trans-cinnamoyl)-argininePumilosidecis-Zeatin riboside monophosphate10-Azabenzo(a)pyreneCAI-1Flavonol base + 4O, O-Hex-dHex-Pen3-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-trienoateN-benzyl-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamideCyclocalopin BCannabidiolHovenine AUridine diphosphategalactoseTestololactoneButylparabenSmiglaside C (Not validated)(E)-9-hydroxy-11-(3-hydroxy-5-(1-hydroxypropyl)tetrahydrofuran-2-yl)undec-10-enoic acidCitbismine CDemethylmedicarpinHYDRANGENOSIDE C5-Phenyl-1,3-oxazinane-2,4-dionetrans-4-Methoxycinnamic acidProtoporphyrinogen IXIndole-3-CarboxaldehydeMethyl 7-(3,4-dimethoxyphenyl)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateAmidinostreptamine(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-dicarboxamideMeticrane(15Z)-9,12,13-Trihydroxy-15-octadecenoic acidIsethionic AcidOtosenine6-Oxolividamine3,4-dimethoxy-N-{2-[2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl]ethyl}benzamidegamma-Mangostin2-Hydroxy-5-methyl-cis,cis-muconic semialdehyde3-HexaprenylcatecholCalycanthidineHyodeoxycholic AcidCystoseirol A3-Oxovalproic acid1-nitrosonaphthaleneTauroursodeoxycholic acid6-sulfo-1,2,3,4-tetrahydronaphthalene-1,4-dicarboxylic acidbrevianamide FGilteritinib4-Methyoxybenzoyl-N-glycine4-(2-Aminoethyl)benzenesulfonyl fluorideamphiasterin B12-O-caffeoylglucarateDe-O-methyldihydrosterigmatocystin8-Prenylnaringenin15-Hydroxy-7-oxodehydroabietic acidWithametelin F|withmetelin F4-Methyl-2-pentenoic acid2-(3-Chlorophenyl)-1-(2,4,6-trihydroxyphenyl)ethan-1-one5-Hydroxymethyl tolterodineEthyl hydrogen malonateAminolevulinic AcidCarpachromene8-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-one2E-Dodecenedioic acidEuphorbia factor L3ChloramphenicolTricarballylic AcidPG(18_1_18-Hete)Salutaridinol acetateTaurohyocholic acid2-(3-Cyano-indol-1-yl)-N-[2-(1H-indol-3-yl)-ethyl]-acetamideButyl GallateGarcinone A4-Pyridoxic acid 5'-phosphate3-(Glucosyl(1-2) glucuronyl)-22-DDMP Soyasapogenol B2-[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-lysineN-PalmitoyltaurinePetromyzonol2-[(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 acidChanoclavine2,2,2-trifluoro-N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]acetamideBazedoxifeneSoyasapogenol B base + O-HexA-PenEpimelibiose7-Methyluric acidMacluraxanthone6-Amino-4-(4-hydroxyphenyl)-3-propyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileAcetildenafilp-Dodecylbenzenesulfonic acidHypothiocyanite6-Methoxy-alpha-pyrufuranSkimmianineDiketometribuzin3,4-Diphenyl-7-hydroxycoumarin2-[(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-iumTyrosyl-LeucineTetracosahexaenoic acid (24_6n-3)MarckineDehydrocurvularinbeta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine2-[(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 acidCytidine 3'-monophosphateBiocytin1-Methyluric acidIsonicotinic Acid2-Hydroxyglutaric acidGlycohyocholic acidHistidinohydroxymerodesmosineDistearoyl phosphatidic acidMesalazinePrulaurasin(5xi,6alpha,7alpha,9xi,16xi)-16-(beta-D-Glucopyranosyloxy)-6,7,17-trihydroxykauran-19-oic acid8-Hydroxy-5,8a-dimethyl-3-methylidene-3a,4,4a,8,9,9a-hexahydrobenzo[f][1]benzofuran-2,7-dione9,10-DiHOME4-Hydroxyphenylglycolic acid22-Hydroxydocosanoic acidAflatoxin ExB2Lolitrem J16-Hydroxypalmitic acidrel-(2R,3R)-2-(4-hydroxyphenyl)-4-[(E)-1-(4-hydroxyphenyl)methylidene]-5-oxotetrahydro-3-furancarboxylic acidPhaseolic acidDiisopropyl phthalate24-HydroxycalcitriolSCHEMBL16431292Leucic acid, L-4-(4-HO-PH)-6-ME-2-Oxo-1,2,3,4-4H-pyrimidine-5-carboxylic acid ethyl esterChol-11-Enic Acid4-Chloro-2-methylphenolLignoceroylcarnitineTrifluoroacetic acidDihydroplumericinic acidLithocholenic acidVinorineBehenate5-Oxoinosine(2E)-N-[4-(acetylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamideCyclovariegatinPA 34_2TabtoxinProscillaridinNodakeninGanoderic acid JAuricularineLeukotriene E4Ursocholanic acid2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2,3-dihydroxypropyl ester, (E)-[2-Hydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] acetateGarcinolic acidHordatine A7,8,2'-Trihydroxyflavone4alpha-Formyl-5alpha-cholesta-8-en-3beta-olGargalol BS-(Indolylmethylthiohydroximoyl)-L-cysteine(3Z)-PhycoerythrobilinTetrahydrocurcumin11-Methylgerberinol3-O-Acetyloleanolic acid(-)-Bornyl acetate5,7-Dihydroxy-3',4'-dimethoxy-5'-prenylflavanoneLeukotriene D41-Oleoyl phosphatidylethanolamineMethyl Gibberellin A9cis,cis-Muconic acidJI-20AJI-20BAmmelidePhaseollidin hydratePenipanoid AN-(4-((5-(3-(2-Aminoethyl)-1H-indol-5-yl)-1,2,4-oxadiazol-3-yl)methyl)phenyl)methanesulfonamide1,8,15,22-Tetraaza-2,7,16,21-cyclooctacosanetetroneWithaferin APhenylalanine4-methylthiobutanaldoximeMagnoflorinePresqualene diphosphateSM(d18_1_0_0)4-oxo-27-TBDMS Withaferin ADi-tert-butyl dicarbonatesecologanin10-Hydroxystearic acidcis-DihydroquercetinLauryl sulfatePyrogallolIsocyclocalamin6-Deamino-6-oxoparomomycin II2-epi-Valiolone4-[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 acid4,8 Dimethylnonanoyl carnitineLeukotriene B5norselic acid AUracilEmedastineNCGC00180760-02_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-methylbenzoateIodotyrosineTryptamineArtonol BST 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-triolST 27_0;O32-Hydroxybutyric Acidmethyl (1R,4aS,9S,10S)-10-acetyloxy-5,9-dihydroxy-1,4a-dimethyl-2-oxo-7-propan-2-yl-10,10a-dihydro-9H-phenanthrene-1-carboxylate1-Octadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)3-[(4-benzylpiperazin-1-yl)-(1-tert-butyltetrazol-5-yl)methyl]-6-ethoxy-1H-quinolin-2-one2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-oneAlkergotHemiphloin7alpha-HydroxypregnenoloneTunicamycin VCholesterol sulfate5-[[4-[5-[[4-[5-[Acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentanoic acid3'-Hydroxy-T2-triolChemodosimeterSPB 18_2;O2DL-Alanyl-DL-alaninePro-PheIsoplumbaginLucidenic Acid AHarderoporphyrinogenVal-Gly-Val-Ala-Pro-GlySuccinic AcidEthyl 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 acid4-fluoro-N-[2-(2-methyl-1H-indol-3-yl)ethyl]benzamideTuricine2-Methyl-4-oxo-heptadecanoic acidLysylprolinePregnenolone sulfateMalateLysergic acidAdrenic acidLL-Z1272.Episilon.1-(3-{[2-(Pentan-3-yl)quinazolin-4-yl]amino}phenyl)ethanonep-Toluenesulfonic acid5-HydroxymethylcytosineIsotabtoxinPseudooxynicotineNebramycin IVLomefloxacin2-Hydroxy-4-methoxy-6-propylbenzoic acidGlu Asn SerEucommin AStachybotramideBrucine, oxide5,8-Dihydroxypsoralen4-KetoifosfamideScutalbin APS(18_0_14,15-EpETE)Diallyl Trisulfide5-MethoxyuridineGlycochenodeoxycholate-3-sulfate3,5-Dichloro-L-tyrosineMethyl 2,3-O-isopropylidene-a-L-rhamnopyranosideHexacyclinic acid1,2-Dihydroxy-7-hydroxymethylnaphthalene5,7,4'-Trihydroxy-6-prenylflavanoneRoccellic acidBiflavonoid-flavone base + 3O and flavanone base + 2O + 1MeOMethyl margarateSenegalensinBenazeprilatCilastatinCPA(18_1(9Z)_0_0)Virolongin BSapidolide AVal-Tyr-Leu-ArgCyromazineArabinosylhypoxanthine(3R,4R)-7,2,4,2-tetrahydroxy-4,5-methylenedioxyisoflav-3-eneNCGC00381443-01_C30H40O8_Androstan-16-one, 3,7-bis(acetyloxy)-14,15-epoxy-17-(3-furanyl)-1-hydroxy-4,4,8-trimethyl-OleandolideGlutamine5-Amino-6-ribitylamino uracil2-PentylfuranN-(4-methylphenyl)-2-{[9-(4-methylphenyl)-6-oxo-6,9-dihydro-1H-purin-8-yl]sulfanyl}acetamide(+)-7-hydroxyxestospongin A|(+)-7-OH-Xestospongin AOM-173alphaAQuercetin 3,7,3,4-tetra-O-sulfateEstragoleTauro-alpha-muricholic acid(Z)-5,8,11-trihydroxyoctadec-9-enoic acid4-(3-Pyridyl)-3-butenoic acidAverufinAziminePachyrrhizinBumetanidetrans-1,2-Dihydrobenzene-1,2-dioltyphasterol11,20-Dihydroxysugiolgibberellin A37PC-M6Trinexapac-ethylN-Acetyl-Muramic AcidExcoecariatoxin24,24-DfhvLinderoxide4-VinylphenolArachidonic AcidTriammonium citrate5-Hydroxyauranetin5,7-Physcionanthrone-physcion2-[[(1R)-2-[Bis(carboxymethyl)amino]cyclohexyl]-[(2S)-2-[bis(carboxymethyl)amino]-3-(4-isothiocyanatophenyl)propyl]amino]acetic acidAmikacinBenzoxazine-6-carboxylic acid7-deoxyloganetic alcoholKipukasin HStizolobate[1-hexadecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (9Z,12Z)-octadeca-9,12-dienoateDihydromunduletoneL-LinaloolHyrcanogeninL-Prolinamide, N-methyl-L-alanyl-(2S)-2-cyclohexylglycyl-N-(2-(2-oxazolyl)-4-phenyl-5-thiazolyl)-Indoleacetic acidAklavinQuinacridoneLPG 19_1Isolimonic acid(3beta,20alpha)-3-Hydroxy-11-oxoolean-12-en-29-oic acidXanthurenic AcidStarch acetateAthamantin8-hydroxymanzamine JGlabrolideHomopterocarpinFurafylline7-Hydroxy-2',4',5'-trimethoxyisoflavan2-Hexyldecanoic acidTricetinCoprocholic acidDolichol phosphateST 24_2;O4(S)-HemiketalPropenoylcarnitine12,13-Epoxy-9-octadecenoic acid2,6-Di-tert-butyl-4-nitrophenolRoccanintrans-4-Aminocyclohexanecarboxylic acid7alpha,25-Dihydroxy-4-cholesten-3-one10-Methyl-11H-benzo[a]fluoren|10-methyl-11H-benzo[a]fluorene|10-Methyl-benzo<a>fluoren|10-Methylbenzo<a>fluoren|10-Methylchrysofluoren|8-Methyl-2,3-benzfluorenSCHEMBL136415957-Prenyloxyaromadendrin(+-)-Pantothenic acid2-(Hydroxymethyl)pentanedioic acidDG(15_0_22_5(4Z,7Z,10Z,13Z,16Z)_0_0)CelereoinUDP-N-acetyl-D-glucosaminuronateMandelic AcidN-acetylcitrulline6-deoxy-6-sulfo-D-fructofuranose7-MethylxanthineIsobutyrylglycineN-AcetylglycineKamahine CUridine-Diphosphate-N-AcetylglucosamineThromboxane A22-Deoxy-L-arabino-hexosePentanamideTryptophyl-ArgininePannarin3beta,4beta,5-Trimethoxy-4-hydroxy- (6_7)-2,2-dimethylpyranoflavan3-O-beta-D-(6-O-linolenoyl)glucopyranosyl-gamma-pyranone4-Hydroxy-2',4',6'-trimethoxychalcone2-Hydroxyisovaleric acid, (R)-Muronic acid3,3',4'5-TetrahydroxystilbeneCobaltous CationScaposin(+)-Epicatechin2-Methoxy-6-pentadecylbenzoic acid3,4-Dihydroxyhydrocinnamic acidHemibastadin 2|hemibastadin-2Coatlin AN-Cyclohexylformamide(E)-3,5-DimethoxystilbeneMailiohydrinTenofovir exalidex5-PyridoxolactoneBeta-phenyl-alpha,beta-unsaturated carbonyl derivative 4TestolateProtocatechualdehydeDeoxypumilosideL-Coprine2-Hydroxynicotinic acidGlycodeoxycholic AcidDiphenyl etherPC(16_1_20-HDoHE)DihydrorotenoneIsobavachinTripterifordinSedoheptulose 7-phosphate3-Hydroxy-2-[[3-(3-hydroxy-6-methyloctanoyl)oxy-8-methylnonanoyl]amino]propanoic acidPhosphatidylcholine 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 acidN5,N5-dimethyl-4-nitro-2,1,3-benzothiadiazol-5-aminePharmaGSID_47333XylitolMethyl alpha-D-galactopyranoside(2R,6S)-2,6-diaminoheptanedioic acid(2E,4E,8E)-Piperamide-C9_3ethyl (E)-4-[2-[2-[[(E)-4-ethoxy-4-oxobut-2-enoyl]amino]phenyl]anilino]-4-oxobut-2-enoateMethylmalonic AcidLPE 18_328-Homobrassinolide[8,8-Dimethyl-9-(3-methylbut-2-enoyloxy)-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 3-methylbut-2-enoateAdipoinCaffeoyl tyrosineWithanone1,4,7,10-Tetratert-butylperyleneBecatecaringamma-Tocotrienolbeta-D-N-AcetylmannosamineCochlioquinone A1-(9Z-hexadecenoyl)-2-octadecanoyl-glycero-3-phospho-(1'-myo-inositol)RiboflavinST 27_0;O6;STheasapogenol A1-hexadecanoyl-2-octadecanoyl-sn-glycero-3-phospho-D-myo-inositol3-Methylorsellinic acid3,6-diamino-5-cyano-N-[2-(1H-indol-3-yl)ethyl]thieno[2,3-b]pyridine-2-carboxamideDeoxyinosineCoumarinic acidmaropitantJuvenile hormone IIIKukoamine A3-Glu(1-2)GluA Soyasapogenol BSCHEMBL19252917DifficidinDinoprostPG 32_0Pestalotiopsoid A3'-Hydroxycinnamic acidPaxilline2-Methoxy-4-vinylphenolindole-3-glycolIndole-3-acetonitrile-glycylcysteine conjugateOctadecanedioic acid10beta,14beta-dihydroxytaxa-4(20),11-dien-5alpha-yl acetate(R)-mandelic Acident-7beta,14-dihydroxy-11alpha-methoxy-18-oxo-11beta,20-epoxy-kaur-16-en-15-one|macrocalyxin BMyristyl sulfate3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dioneFlavonol 3-O-rutinosideSUDCA-Sulfoursodeoxycholic acidomega-Hydroxy-beta-dihydromenaquinone-9coniferyl methyl ether2-(3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)-N'-[(E)-(2-nitrophenyl)methylidene]acetohydrazide8-(2,4-Dihydroxy-6-pentylphenoxy)-6-hydroxy-3-pentylisochromen-1-one2-AminovalienoneSilicristin(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-carbaldehydeN-(3-Indolylacetyl)-L-isoleucineElwesineTrihydroxycoprostanoic acidGingerglycolipid B3-(2-Ethoxyphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-oneQuinoline-3,4-diolMGMG 18_2Aljesaconitine AMGMG 18_3Otenzepad5-Isobutyl-2-methyl-furan-3-carboxylic acid3-EthylphenolHypocrellin BGlutaric acid4-EthylphenolAFN911Hydralazine pyruvate hydrazoneL-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 acid5-[1,2,4a-Trimethyl-5-(propanoyloxymethyl)-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acidBR-Xanthone AD-4-Hydroxyphenylglycine2-Methyl-4-propyl-1,3-oxathianeAltenueneNCGC00380658-01_C35H52O15_3-{[6-Deoxy-4-O-(beta-D-glucopyranosyl)-alpha-L-mannopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolide1,2-Propadiene, 1-bromo-AstringinAsp Pro AlaPhosphatidylcholine lyso 22_41-Hexadecanoyl-sn-glycero-3-phospho-(1'-sn-glycerol)EpoxomicinValylglutamine5-[5-Hydroxy-3-(hydroxymethyl)pentyl]-8a-(hydroxymethyl)-5,6-dimethyl-3,4,4a,6,7,8-hexahydronaphthalene-1-carboxylic acid2-Ketogulonolactone(S)-RutaretinThaxtomin DPicolinafenAlloepipregnanoloneN-(4-fluorophenyl)-2-[2-oxo-4-(piperidin-1-ylcarbonyl)quinolin-1(2H)-yl]acetamidePetasitenine[2-(Hexadecanoyloxy)-3-[octadec-11-enoyloxy]propoxy]({[2.3.4.5.6-pentahydroxycyclohexyl]oxy})phosphinic acid9-Hydroxy-7-(2-hydroxypropan-2-YL)-1,4A-dimethyl-2,3,4,9,10,10A-hexahydrophenanthrene-1-carboxylic acidbeta-D-erythro-Hexopyranos-2-ulose, 1,6-anhydro-3-deoxy-4-O-(phenylmethyl)-, dimethyl acetalDoxorubicinpterocellin FIsopropylidenylacetyl-marmesin2,7-dihydroxy-5-methyl-1-naphthoic acidAspicilinepisteroneSophorol19-HydroxytestosteroneNCGC00180381-03_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 acidRibosylhopanePC 20_46-Oxo-G418SCHEMBL1104923OR-1896(+)-Milnamide AAlanylphenylalanineZINC123406622-Aminoisobutyric acidMethylisopelletierine2,8-Dimethyl-3-(pyrrolidin-1-ylmethyl)quinolin-4-OL10beta-hydroxytaxa-4(20),11-dien-5alpha-yl acetateBeta-Collatolic acid15,16-Epoxy-9,12-octadecadienoic acidN-[5-Methyl-8-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-morpholin-4-ylbenzamideartobiloxanthoneNCGC00180746-02_C30H48O6_Olean-12-en-28-oic acid, 2,3,19,24-tetrahydroxy-, (2alpha,3beta,5xi,9xi,19alpha)-Atranone ADelphatineUDP-alpha-D-galactofuranoseAvermectin B1b aglyconeImazamoxL-Homocysteic acidSerylglycine2-[(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 acidEnterodiolEicosanedioic acidCyanidin 3-O-galactosideBifonazole4-Hydroxyphenylacetaldehyde2-(Methylthio)-3H-phenoxazin-3-onePC(20_5(5Z,8Z,11Z,14Z,17Z)_22_6(4Z,7Z,10Z,13Z,16Z,19Z))Makisterone AN-carbamoyl-beta-alanine10,23,27-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-olAcipimox1-(6Z,9Z,12Z,15Z-octadecatetraenoyl)-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-glycero-3-phospho-(1'-myo-inositol)3-SulfinoalanineTriacetinN-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-3-(3,4,5-trimethoxyphenyl)propanamide9H-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 A1Losartan4-Oxoniobenzoate(9Z,11E,13S)-13-Hydroxyoctadeca-9,11-Dienoic AcidPaspaline BEmetinePG(16_0_10-HDoHE)NorgalantamineS-PyruvylglutathioneLPG 20_2(S,S)-Nt-Histidinylalanine5-[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 acidLPG 20_1Dolasetron4,5-Dihydro-oligosporol BZafirlukast4,5-Dihydro-drospirenone-3-sulfateST 28_0;O2ST 28_0;O3Mastigophorene C2,4-Dihydroxybutanoic acidcyclo(dehydrophenylalanyl-L-leucyl)Avermectin B2a aglyconeFA 18_2;O21-epi-Valienol 1-phosphate4-Hydroxycarbostyril1-Vaccenoyl-2-palmitoyl-sn-glycero-3-phosphoethanolamineDocosa-2,4,6,8-tetraenoic acidN-D-Ribosylpyrimidine12,28-oxamanzamine EEstriol 16-glucuronideMukonicineClarithromycinmethyl (Z)-(2-(3-hydroxy-5-oxo-4-phenylfuran-2(5H)-ylidene)-2-phenylacetyl)-L-phenylalaninatePropentofylline2-Phenylethyl 3-O-(4-carboxy-3-hydroxy-3-methylbutanoyl)-beta-D-glucopyranosideButein[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-enoateNorverapamiln,n'-diallyl-2,3-dihydroxysuccinamideSecosterigmatocystinIsofraxidin2-[3-(Sulfooxy)phenyl]acetic acid(1R,6R)-1,4,5,5a,6,9-Hexahydrophenazine-1,6-dicarboxylatePicrasidine A(1aalpha,2beta,3alpha,11calpha)-1a,2,3,11c-Tetrahydro-6,11-dimethylbenzo[6,7]phenanthro[3,4-b]oxirene-2,3-diolAdenosine, 8-(butylamino)-N-cyclopentyl-2,5-Dioxopentanoate2-Isopropylmalic acidtaxa-4(20),11-dien-5-alpha-yl acetateCorymbosinCycloeucalenonepregnan-21-olEpilincomycinGibberellin A98Lacidipine3-DeacetylkhivorinLeucyl-glycyl-glycine1-[(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]ethanone2-[(4-Tert-butylphenyl)formamido]acetic acid2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate1-Hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylic acid methyl esterPerindopril2,3-Dihydroxy-3-methylbutanoic acidSweroside9,16-Dioxo-10,12,14-octadecatrienoic acidST 21_2;O5Apraclonidine(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-triolSenegeninGlycohyocholateSecoeremopetasitolide B5-DehydroadenosineSuberic acid12_4+4O fatty acyl hexoside5-MethylcytidineZearalenoneS-AcetylphosphopantetheineKarion(-)-Phylligenin22-oxodocosanoic acidAstemizoleLevoglucosan4-Nitrophenol4,7,13,16,21,24-Hexaoxa-1,10-diazabicyclo[8.8.8]hexacosaneBenzoic Acid1-(2H-1,3-Benzodioxol-5-yl)-2-[2,6-dimethoxy-4-(prop-2-en-1-yl)phenoxy]propyl acetateAcetophenone4-Hydroxyprotoasukamycin2-{[(3,4-Dimethoxyphenyl)carbonyl]amino}-4-ethyl-5-methylthiophene-3-carboxamideAKOS006369514Coniferin4,4-DiapolycopenedialAcamprosateAristolic acid IItaxa-4(20),11-dien-5alpha,13alpha-diol(2E)-N-(4-Acetamidobutyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamidePersicasulfide AErinacine P6-Phosphogluconic acid2-Oxopentanoic acidGlu Val Ala2-epi-5-epi-Valiolone 7-phosphate3a-Hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-2,4,5,6,7,7a-hexahydroindene-4-carboxylic acidNCGC00168838-03_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 acidSulfobacin BPomonic acid(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acidMardepodectN-ethylmaleimideBilirubin4-(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 acidCymarine(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 acidLividic acidLuminolLeu-Leu-ProOxymetholoneisopentenyl adenosine4-O-MethylnorbelladineHesperetinN-Acetyl-DL-glutamic acidDivinyl chlorophyllide aLicoisoflavone A2-Hydroxy-3-methylpentanoic acidamathamide GPS(18_2(9Z,12Z)_22_2(13Z,16Z))DhesnN-MethylserotoninAtorvastatinsphaerophorin2-[(6-ethoxy-2-oxochromen-4-yl)methylsulfanyl]-1H-quinazolin-4-one1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amineProcaterolFA 18_2+4OaminopyrrolnitrinThymolPyridoxine 5'-phosphateCoformycin3-KetosucroseSS-secoisolariciresinol2,4,5-Trimethoxybenzoic acid2-C-methyl-D-erythritol-4-phosphateAcacetin-5-O-xylosideCHEMBL465503PelaninST 28_1;OTolbutamide2'-Deoxyadenosine 5'-phosphateStearic Acid2'-Deoxyinosine triphosphateFA 10_11,2,4,7-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-hydroxytetradecanoate3-Methyl-2-[(3,4,5-trimethoxybenzoyl)amino]butanoic acidBenzoic acid, 2,4-dihydroxy-6-methyl-Bacteriohopanetetrol3-Benzoyloxy-11-oxo-12-ursen-28-oic acidgamma-CurcumeneN-AcetylsulfadiazinePreglabridinXanthohumolEmbelinCyclomethyltryptophanbarakol5-Oxoavermectin 2b aglycone2-Hydroxybenzenepropanoic acid3,4-Dihydroxybenzoic acidNotoginsenoside T1Phosphatidylcholine lyso 17_0[1-[[2,3-Dihydroxypropoxy]-hydroxyphosphoryl]oxy-3-[octadec-11-enoyl]oxypropan-2-yl] octadecanoateD-XyloseLys Ser AspDihydroalbocycline5-Hydroxy-8,8-dimethyl-6-(3-methyl-1-oxobutyl)-4-pentyl-2H,8H-benzo[1,2-b_3,4-b']dipyran-2-one6-Maleimidocaproic acidLinolenic AcidN-FormylmethionineBergeninPetasinosideFortuneineMg-Protoporphyrin IX 13-monomethyl esterDelcorinePicrotinMethionine1-O-Sinapoylglucose13-Desoxyterpendole IAlbiflorin4-isopropenyl-7-methyloxepan-2-one2'-O-methylinosineFlavin-Adenine DinucleotidePetromyzonol sulfate6-Amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileTrimegestoneAfrormosinAmidinoproclavaminate1-[2-(3,4-dimethoxyphenyl)-1-hydroxy-4-methyl-1H-imidazol-5-yl]ethanoneOctyl Gallate3-GluA Soyasapogenol BCitrininMethoxsalenSulfapyridineAsparaginyl-Gamma-glutamate3-Hexaprenyl-4-hydroxy-5-methoxybenzoic acidTuftsinHomopisatinNCGC00179701-03_C30H46O4_Lup-20(29)-en-28-oic acid, 6-hydroxy-3-oxo-, (5xi,9xi,18xi)-ResiniferatoxinLincomycinIsepamicin7-O-Methylapigenin 6-C-beta-D-glucopyranosideLithocholic Acid3-Methyladipic acidPro Asp GlnSotalolN-Fructosyl pyroglutamate5-((Z)-14-(3,5-Dihydroxyphenyl)Tetradec-10-Enyl)Benzene-1,3-DiolPropioin(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-oneKaempferolDeoxyuridineDihydrozeatinVal-Val-ValPhaseic acidPerlatolinic acidN-(1,3-dihydroxy-1-phenylpropan-2-yl)-3-(3-fluorophenyl)propanamide2-acetyl-3,6,8-trihydroxy-1-methyl anthraquinoneEstrone glucuronideFumarateN1-(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-olChelirubine2-InososePhycocyanobilinNicotianamine1,7-Dimethyluric acidNorleucineAntibiotic JI-20BaHomovanillic AcidGibberellin A44Gibberellin A41Undecylenic AcidEpoxycytochalasin HDankasterone BTryprostatin Aalpha-Cyano-4-hydroxycinnamic acidN-(1H-indol-3-ylacetyl)tryptophanSodium Isethionate5-[(Z)-12-(3,5-dihydroxyphenyl)dodec-8-enyl]benzene-1,3-diolBQ-123beta-Muricholic acidTyrosineGitoxigeninApigenin 6-C-glucoside 8-C-arabinosidePhosphatidylethanolamine lyso 18_1Phosphatidylethanolamine lyso 18_23G8CFM4T9A4-O-Demethylbarbatic acid1,5-Dioxo-7a-methyloctahydro-1H-indene-4-propanoic acid2-Hydroxyquinoline-4-carboxylic acidFumitremorgin B17-DeoxycortoloneBenzo[a]pyrene-4,5-oxideGibberellin A51Gibberellin A53FustinDysamide E1-[4,9-Dihydro-2-(methylthio)-1,3-thiazino[6,5-b]indol-4-yl]-2-propanoneDiheptyl phthalateCeanothine CIsotectorigenin, 7-methyl etherCrocetin7-O-DmethylcephaelineN-acetyl-alpha-D-glucosamineLinamarin2-((2-((Dimethoxyphosphorothioyl)thio)-4-ethoxy-4-oxobutanoyl)oxy)-2-methylmalonic acidSarcodon scabrosus Depsipeptidegamma-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 acidFO 2546M3-4-hydroxyphenyl-propionatePC 38_7HaematoxylinStachybotrydial acetateDHKred2,4,6-Trihydroxybenzoic acidGibberellin A242-[(6-amino-7H-purin-8-yl)sulfanyl]-N-(4-methoxyphenyl)acetamideSulcatone2H-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(-)-HomoeriodictyolGibberellin A15Coumarin derivL-CysteineGibberellin A17N-Succinyl-L,L-2,6-diaminopimelateCholylmethioninetyrosyltryptophyllysineNCGC00385224-01_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-glucopyranosideEcliptasaponin AN-acetylglucosaminylasparaginePulvinic acid dilactoneN-Amidino-scyllo-inosamine 4-phosphatePhosphatidylinositol lyso 18_1Glu-Val-PheOctaprenyl diphosphateAnhydromarasmoneent-Epiafzelechin(2a->7,4a->8)epiafzelechin 3-(4-hydroxybenzoic acid)Armillarisin A1,6-Dihydroxy-3,8-dimethylxanthone5-Formylbenzofuran-6-carboxylic acid methyl ester5-Methylthioinosine8-O-MethylrabelomycinOxoglaucineInosineLiquidambaricDiterpenoid EF-D6-Hydroxy-3,4-dihydro-2(1H)-quinolinoneThioproperazineR.g.-Keto IChelerythrineSCHEMBL4290912NeohesperidinMethyl-3-((2-nitrobenzoyl)amino)benzoate3,6-Dichloropyridine-2,5-diolN-Acetylmethionine4-Decan-4-ylbenzenesulonic acidN-hydroxyl-tryptamine(R)-2-Benzylsuccinate2-(Methylamino)benzoic acidCyclotriveratryleneAnserine3-[(1-Carboxyvinyl)oxy]benzoic acidFlubenzimine2-dehydrolubimin3-Epiecdysone(2E,6E,12E)-19-(2-Amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavoneFantofaroneGermineAla Asn PheVanylglycolAmidino-scyllo-inosaminealpha-CEHCSimonyellin2,6-dihydroxy-7-methoxy-1,1,4a-trimethyl-3,4,10,10a-tetrahydro-2H-phenanthren-9-oneSphinganine 1-phosphateO-Methyl-L-Tyrosine7-Bromo-benzo[1,3]dioxole-5-carbaldehydeHomovanillic acid sulfateLysoPC(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)-ColumbianetinAsperulosidic acid2-cis,4-trans-xanthoxinL-Gulonic acid, gamma-lactoneProtopanaxatriol2-oxo-5-Methylthiopentanoic acidPrephenate15R-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acidMedicagenic acid base-H2O + O-HexACystathionine ketimine4-Hydroxycinnamoylagmatine3-epihydroxy-2-deoxymugineate2-Hydroxyflavanone9-methylthiononanaldoxime8-oxogeranialBenzoylformic acidDodecanedioic acidFurylfuramidehexahomomethionineTauroursocholic acidKeto-pantoyllactoneMethyl 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-one3-Hydroxyhexadecanoic acidAzcarpineBL IISalinomycinGingerolN-Desmethyl sildenafil (UK-103,320)phenazine-1,6-dicarboxylateSildenafil2-Hydroxyisobutyric acidMycochromoneN,N-Dihydroxy-L-phenylalanineBarceloneic Acid ALysoPE(0_0_18_2(9Z,12Z))N-Retinylidene-N-retinylethanolamineEzetimibe3,3'-Bisanigorufonetrans-isoeugenol-O-glucuronideAloesone6-KetoestriolThymidine(R)-3-phenyllactic acidAlphitolic acidP-1075Pantetheine1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-sn-glycerol)26-Hydroxyecdysone6-Chloro-3-hydroxypyridine-2,5-dione4-Methylbenzoic acid4-Hydroxy-2-methyl-3-oxo-4-farnesyl-3,4-dihydroquinoline-1-oxideAlanylprolineP-DichlorobenzeneN-Methylcalystegine C1Magnoline5-Oxo-1,2-campholide25-Hydroxycholest-4-en-3-one6-Hydroxy-3-methoxy-2-phenyl-4H-chromen-4-onePhenytoin quinone5,9-dihydroxy-5,7,7-trimethyl-4,5a,6,8,8a,9-hexahydro-1H-azuleno[5,6-c]furan-3-oneStaplabin7-Hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acidOxypurinolGenkwaninPC 34_3Chaetoglobosin NConyzatinMethionine sulfoxideMitragynineN-[4-(cyanomethyl)phenyl]-3,4-dimethoxybenzamidePC 34_6CorydamineDHbetaE(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 acidGanoderic Acid GPluraflavin AAzelaic acidLysoSM(d18_0)LysoPC(14_1(9Z)_0_0)Ternatinalpha-D-Glucose1(4H)-Dibenzofuranone, 2,6-diacetyl-4a,9b-dihydro-3,7,9-trihydroxy-4a-methoxy-8,9b-dimethyl-Candol BGnetifolin M1,2-Difluoro-3,4-dinitrobenzeneN-(3-cyanophenyl)-2-[4-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-oxoquinolin-1(2H)-yl]acetamideST 29_2;O32-Hydroxycanthaxanthin2-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] benzoate5'-HydroxycotinineN-Hydroxy phip1-(7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl)-N-(pyridin-4-yl)methanesulfonamidefalseMetabolomic profiling of mouse colorectal tumor tissues and fecal samples following bacterial interventionThis 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 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