MetaboLights

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metabolites were identified by accuracy mass and MS/MS data which were matched with HMDB (http://www.hmdb.ca), massbank (http://www.massbank.jp/), KEGG (https://www.genome.jp/kegg/), LipidMaps (http://www.lipidmaps.org), mzcloud (https://www.mzcloud.org) and the metabolite database bulid by Panomix Biomedical Tech Co., Ltd. (Shuzhou, China). The molecular weight of metabolites was determined according to the m/z (mass-to-charge ratio) of parent ions in MS data. Molecular formula was predicted by adduct ion, and then matched with the database to realize MS identification of metabolites. At the same time, the MS/MS data from quantitative table of MS/MS data, were matched with the fragment ions and other information of each metabolite in the database, so as to realize the MS/MS identification of metabolites.MetaboLightsPublicLiquid Chromatography MS - positiveLiquid Chromatography MS - negativeThe LC analysis was performed on a Vanquish UHPLC System (Thermo Fisher Scientific, USA). Chromatography was carried out with an ACQUITY UPLC ® HSS T3 (2.1× 100 mm, 1.8 µm) (Waters, Milford, MA, USA). The column maintained at 40°C. The flow rate and injection volume were set at 0.3 mL/min and 2 μL, respectively. For LC-ESI (+)-MS analysis, the mobile phases consisted of (B2) 0.1% formic acid in acetonitrile (v/v) and (A2) 0.1% formic acid in water (v/v). Separation was conducted under the following gradient: 0-1 min, 8% B2; 1-8 min, 8%-98% B2; 8-10 min, 98% B2; 10-10.1 min, 98%-8% B2; 10.1-12 min, 8% B2. For LC-ESI (-)-MS analysis, the analytes were carried out with (B3) acetonitrile and (A3) ammonium formate (5mM). Separation was conducted under the following gradient: 0-1 min, 8% B3; 1-8 min, 8%-98% B3; 8-10 min, 98% B3; 10-10.1 min, 98%-8% B3; 10.1-12 min, 8% B3.Bifidobacterium animalis subsp. lactis V9 Overcomes CYFRA 21-1-Linked Immunochemotherapy Resistance in NSCLC via Microbial Metabolites.Cuijiao Fenginner mongolia agricultural universityserummass spectrometry assayChemicals and reagents:LC-MS grade methanol (MeOH) was purchased from Fisher Scientific (Loughborough, UK). 2-Amino-3-(2-chloro-phenyl)-propionic acid was obtained from Aladdin (Shanghai, China).InstrumentsHigh speed freezing centrifuge was obtained from Hunan Xiangyi Experiment Equipment Co., Ltd. (Hunan, China). Vortex mixer was obtained from Haimen Kylin-bell Lab Instruments Co., Ltd. (Haimen, China). Ultrasonic cleaner was obtained from Kunshan Shumei Experiment Equipment Co., Ltd. (Kunshan, China). Tissue grinder was obtained from Zhejiang Meibi Experiment Equipment Co., Ltd. (Zhejiang, China). Microporous membrane filters (0.22 µm) were purchased from Tianjin Jinteng Experiment Equipment Co., Ltd. (Tianjin, China).Sample preparation:1. Accurately weigh an appropriate amount of sample into a 2 mL centrifuge tube, add 600 µL MeOH (Containing 2-Amino-3-(2-chloro-phenyl)-propionic acid (4 ppm), vortex for 30 s;2. Add steel balls, placed in a tissue grinder for 120 s at 50 Hz;3. Room temperature ultrasound for 10 min;4. Centrifuge for 10 min at 12,000 rpm and 4℃, filter the supernatant by 0.22 μm membrane and transfer into the detection bottle for LC-MS detection.Mus musculusHomo sapienshttps://www.ebi.ac.uk/metabolights/MTBLS13300Cuijiao Feng. inner mongolia agricultural university. 18829285357@163.com.Data preprocessingThe raw data were firstly converted to mzXML by MSConvert in ProteoWizard software package (v3.0.8789) and processed using R XCMS (v3.12.0) for feature detection, retention time correction and alignment. Key parameters settings were set as follows: ppm = 15, peakwidth = c (5, 30), mzdiff = 0.01, method = centWave. The batch effect was then eliminated by correcting the data based on QC samples. Metabolites with RSD > 30% in QC samples were filtered and then used for downstream analysis.Treatment18829285357@163.comThe origin of sample comes from Homo sapiens or Mus musculus serum with no any treatment and have only one timepointMetabolomicsFecaluntargeted metabolitesSerumnon-small cell lung carcinomaFecaluntargeted metabolitesSerumnon-small cell lung carcinomaMass spectrometric detection of metabolites was performed on Orbitrap Exploris 120 (Thermo Fisher Scientific, USA) with ESI ion source. Simultaneous MS1 and MS/MS (Full MS-ddMS2 mode, data-dependent MS/MS) acquisition was used. The parameters were as follows: sheath gas pressure, 40 arb; aux gas flow, 10 arb; spray voltage, 3.50 kV and -2.50 kV for ESI(+) and ESI(-), respectively; capillary temperature, 325°C; MS1 range, m/z 100-1000; MS1 resolving power, 60000 FWHM; number of data dependant scans per cycle, 4; MS/MS resolving power, 15000 FWHM; normalized collision energy, 30%; dynamic exclusion time, automatic.2-FuroateSaikosaponin ANCGC00381061-01_C30H51N5O9_Pyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-hexone, 16-(2,3-dihydroxypropyl)dodecahydro-5,8,9,21-tetramethyl-6-(1-methylethyl)-3-(1-methylpropyl)-PhenylacetylglutamineMethionine sulfoximineNCGC00381248-01!4-oxododecanedioic acidDiazoxideDocosatetraenoic acidNP-008198NP-021171L-ErythruloseErgonovineAndrographisideKetoleucine3,5,7,10,15-O-pentacetyl-14-O-benzoyl-10,18-dihydromyrsinolProstaglandin E2 p-benzamidophenyl esterReserpineTacrinePhenazepam1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]tetrahydro-2-furanyl}methyl)-3-isopropylureaTetracosanoic acid4,5-DIDEMETHYLSIMMONDSIN2,2',4,4'-TetrahydroxybenzophenoneGrayanotoxin ILutein4,15,26-trihydroxy-1-oxa-4,9,15,20,26,31-hexazacyclotritriacontane-5,8,16,19,27,30-hexoneNP-015723Carprofenphorbol-12,13-didecanoateLicoricesaponin H2N1-[4-(trifluoromethoxy)phenyl]acetamideHeminNeopterinFluroxypyr4-HydroxybenzaldehydeBIX01294N-Oleoyl-L-SerineAgnuside7(S),17(S)-dihydroxy-8(E),10(Z),13(Z),15(E),19(Z)-Docosapentaenoic AcidTOFAPerfluorooctanoic acidNCGC00381117-01!2-amino-4-hydroxy-5-[[1-(4-methoxy-6-oxopyran-2-yl)-3-methylbutyl]amino]-5-oxopentanoic acid6beta-Hydroxytestosterone3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-[3-(trifluoromethyl)benzoyl]acrylonitrileNP-003964Methoprene acid1D-Myo-inositol 1,4,5,6-tetrakisphosphateNCGC00385653-01_C36H40O8_12,13-DHOMELatanoprost (free acid)-d412b-O-[deca-2E,4Z-dienoyl]-13a-isobutyl-4b-phorbol2,4,12-Octadecatrienoic acid isobutylamideFMN4,4'-Sulfonylbis[2-(prop-2-en-1-yl)phenol]16-phenoxy tetranor PGF2alpha methyl amideLamivudineNCGC00179905-02!(E)-3-(4-methoxyphenyl)-1-[2,4,6-trimethoxy-3-(3-methylbut-2-enyl)phenyl]prop-2-en-1-oneFexofenadinealpha-Ergocryptine4,4'-SulfonyldiphenolSulfisoxazoleFluocinonide3',5'-Cyclic dAMP16-Oxopalmitate3-(2-Hydroxyphenyl)propanoic acidRitodrineISOXICAMNCGC00180261-02!1,11,21-trihydroxy-1,6,11,16,21,26-hexazacyclohentriacontane-2,5,12,15,22,25-hexoneN-Acetylneuraminic acidPantothenic acidN1-cyclohexyl-2-(4-pyridylcarbonyl)hydrazine-1-carbothioamidePI(18_1_13-HODE)Glycerol 3-phosphateVindolineIndoxylsulfuric acidYohimbineErgocorninine3-Indoleacrylate4-Hydroxycinnamyl alcohol 4-D-glucosideShikimic acidNP-017710EtomidateMalabaricanoNCGC00380717-01_C27H36O7_2-Butenoic acid, 2-methyl-, 9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl ester, (2E)-NCGC00381146-01!2-[5-[2-[2-[5-(2-oxopropyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acidVicriviroc MalateNCGC00380181-01_C41H66O15_1-O-[(2beta,3beta,5xi,9xi,18xi)-2,23,29-Trihydroxy-28-oxo-3-(beta-D-xylopyranosyloxy)olean-12-en-28-yl]-beta-D-glucopyranose6-AzuridineKanamycinNP-022068CrustecdysonePhthalic acidNCGC00380711-01_C32H44O12_Propanoic acid, 2-methyl-, (3S,3aR,4R,6S,7R,10E,12R,13aR)-3,4,6,13a-tetrakis(acetyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-2,9,9,12-tetramethyl-5-methylene-8,13-dioxo-1H-cyclopentacyclododecen-7-yl esterNCGC00385692-01_C44H68O14_3-Hydroxyspirosta-5,25(27)-dien-1-yl 2-O-(6-deoxy-alpha-L-mannopyranosyl)-4-O-(2-hydroxy-3-methylpentanoyl)-alpha-L-arabinopyranosideProstaglandin D3Mupirocin2-[6-(diethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diolIsorhamnetinL-NILDigitoxinL-NIOPC(16_1_10-HDoHE)Biotin-XX hydrazideDihydro IsorescinnamineChenodeoxycholic acidNCGC00381054-01!(2E,4E)-12-[(10E,12E)-13-carboxy-3-[(2E,4E)-13-carboxy-12,14-dihydroxy-3,5,7-trimethyltetradeca-2,4-dienoyl]oxy-2-(hydroxymethyl)-8,10,12-trimethyltrideca-10,12-dienoyl]oxy-13-(hydroxymethyl)-3,5,7-trimethyltetradeca-2,4-dienedioic acid2-(4-hydroxy-1,3-thiazol-2-yl)-1-phenylethan-1-oneNCGC00380387-01_C21H27NO11_Cycloaspeptide A_130056LovastatinSANGUINARINE SULFATEGlucobrassicin4-[(1R,9S)-3-(2-Fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-4-oxobutanoic acidLSM-43947-Hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-5-yl ?-D-glucopyranosideSulfasalazine3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholanateNP-002676Avocadene 2-acetateNP-0002565,7-O-Diacetyl-14-O-benzoyl-3-O-propanoylmyrsinolAdenosineNP-0046263',5'-Dichloro-2-hydroxy-2-methylbut-3-enanilidePifithrin-&muNCGC00180855-02_C23H36O4_2-Pentenoic acid, 3-[(acetyloxy)methyl]-5-[(1R,4aR,8aR)-decahydro-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]-, methyl ester, (2Z)-N-(2,1,3-Benzoxadiazol-4-yl)-2-(propylsulfanyl)nicotinamideN-(2-Cyanoethyl)-N'-[3,5-bis(trifluoromethyl)phenyl]-N-tetrahydrofuran-2-ylmethylthioureaNCGC00386096-01!(9E,15E,19E)-3-(2-amino-2-oxoethyl)-11,13-dihydroxy-14,21-dimethoxy-8,10,12-trimethyl-7,21-dioxohenicosa-9,15,19-trienoic acidProstaglandin B1Uric acidIndolepyruvateInosine-5'-triphosphate trisodium salt2,5-di-tert-ButylhydroquinoneDigalacturonateD-Erythrose 4-phosphateHomo-L-arginine5-aminonaphthalene-2-sulfonic acid2,3-Dinor-8-iso prostaglandin F2alphaSarmentoside B20-Carboxy-leukotriene B4MelatoninDaidzinindigo carmineStearidonic acid(2E,6E,11E,13E)-18-(2,6-dioxopiperidin-4-yl)-9-hydroxy-8-methoxy-10,12,14-trimethyl-15-oxooctadeca-2,6,11,13-tetraenoic acidSisomicinNCGC00347776-02!3-chloro-6-hydroxy-2-(4-hydroxy-2-methoxy-6-methoxycarbonylphenoxy)-4-methylbenzoic acidTetradecanedioic acid(2S)-N2-[(2S)-1-amino-3-cyclohexyl-1-oxo-2-propanyl]-N1-isopropyl-N4-phenyl-1,2,4-piperazinetricarboxamideN-Acetyl-D-galactosamineAripiprazoleLYSYL-TYROSYL-LYSINENaloxone HCl4-[3-(5-Oxo-2,3-dihydro-5H-pyrimido[2,1-b][1,3]thiazol-6-yl)-1,2,4-oxadiazol-5-yl]butanoic acidEcgonineNP-018606O1-(2-Thienylcarbonyl)-3-[(2-pyridylthio)methyl]benzene-1-carbohydroximamideCalcimycinD-Glyceraldehyde 3-phosphate4alpha-deoxyphorbol 12-tiglate-13-isobutyrate (4-dPE A)MizolastineNCGC00180087-02!5-(hydroxymethyl)-3-(1-hydroxy-4-methylhexyl)oxolan-2-oneOctabenzone2-Ketobutyric acidGibberellin A31,3,5-trihydroxy-4-{[(2E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxy}cyclohexane-1-carboxylic acidFAHFA 26_0MLS000859974-01!LY-165,163NCGC00386014-01![(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-[(4-hydroxybenzoyl)oxymethyl]-2-(4-hydroxyphenoxy)oxan-3-yl] 3,4,5-trihydroxybenzoateNitrofurazoneBuprenorphine_130047laccaic acid A2-[(1-ethyl-1H-1,2,3,4-tetraazol-5-yl)sulfanyl]-1-(4-phenylpiperazino)-1-ethanoneCymoxanilNCGC00380208-01!bis[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl] 3-hydroxy-3-methylpentanedioate2-(N-Methyl-perfluorooctane sulfanamido) acetic acidPhenobarbital-d5Uridine diphosphategalactoseQuinmeracRoxithromycin (Roxl-150)RifampicinGancaonin AN-Acetyl-L-carnosinefipronil-sulfideD-Galactose2-hydroxy-4-methoxy-3,5-bis(3-methylbut-2-enyl)-6-pentylbenzoic acid2',5'-Dihydroxychalcone2-[(7-chloro-4-quinazolinyl)oxy]-N-[3-(trifluoromethyl)phenyl]acetamideIprovalicarbdGMPPS(18_0_11,12-EET)NCGC00384643-01_C20H32O2_(2E)-3-Methyl-5-[(1S,8aS)-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]-2-pentenoic acid4-(acetylamino)phenyl 6-(trifluoromethyl)pyridine-2-carboxylate(15Z)-9,12,13-Trihydroxy-15-octadecenoic acidChloraminophenamideCitric acidmilbemycin A4NCGC00385498-01!3-[[12-acetyloxy-17-(2,5-dihydroxy-6-methylhept-6-en-2-yl)-17-hydroxy-4,4,8,10,14-pentamethyl-1,2,3,5,6,7,9,11,12,13,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]oxy]-3-oxopropanoic acidNCGC00381349-01_C11H13NO5_1H-Pyrrole-3-propanoic acid, 5-acetyl-4-(carboxymethyl)-Etidronic acidSuspensasideCAY10570Verapamil(3beta,9xi)-3-(beta-D-Glucopyranosyloxy)-14-hydroxycard-20(22)-enolide5-{[(5-chloro-2-pyridyl)amino]methylidene}-2,2-dimethyl-1,3-dioxane-4,6-dioneN'2-[3-(trifluoromethyl)benzoyl]-5-(trifluoromethyl)pyridine-2-carbohydrazonamideNCGC00385436-01!3,3'-Diisopropyl-6,6'-dimethyl-2,2',5,5'-biphenyltetrolMilrinonealpha-D-Ribose 1-phosphatePravastatinGlycocholic acidZingeroneFenoldopamTolytoxinNCGC00384699-01!(2E,6E,10E)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,34-tetraene-1,15,19,23,27,31-hexolTetrabromobisphenol AErythromycin estolate(2R)-2-Hydroxy-3-(phosphonatooxy)propanoate5-PAHSA7-DehydrocholesterolHydroflumethiazide2,6-Dimethoxy-1,4-benzoquinoneNP-003145Val-Phe4Cl-OHQuassinFlurecolN'1,N'3-bis(2-Thienylmethylidene)-2-butylpropanediohydrazideAnandamide2,5-DimethylphenolCAY10599Monobutyl phthalateColchicineEthyl N?[({4?[(1E)?2?{4?[(1E)?2?(2,5?dimethoxyphenyl)diazen?1?yl]?2,5?dimethoxyphenyl}diazen?1?yl]?3?methylphenyl}(ethyl)amino)methyl]carbamatePalmitoyl 3-carbacyclic Phosphatidic Acid12b-O-[non-2Z,4E-dienoyl]-13_-isobutyroyloxy-7-oxo-5-ene-4b-phorbol3-OxalomalateGenisteinChenodeoxycholic acid glycine conjugate5-MethoxyindoleacetateRoxithromycinNP-015117PropylthiouracilSB 216763N-[4-(3-Chloro-4-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamideperfluorohexanoic acidNorbenzoylecgonine3-(3,4-Dihydroxy-5-methoxy)-2-propenoic acidThyrotropin releasing hormone7-DESHYDROXYPYROGALLIN-4-CARBOXYLIC ACID1-O-(1,3,23,24,25-Pentahydroxy-28-oxo-9,19-cyclolanostan-28-yl)hexopyranoseNCGC00180451-03!(3S,4S)-5-[(3S,4S)-4,10-dihydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl]-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromene-4,10-diolNP-007966N1-[4-(3-pyrazin-2-yl-4,5-dihydro-1H-1,2,4-triazol-5-yl)phenyl]acetamideEPA (d5)(S)-Abscisic acid3,5-Diiodothyronine11b-hydroxypristimerin4-Hydroxy-3- methoxyphenylglycol sulfateN-dodecanoyl-L-Homoserine lactone-3-hydrazone-biotinNCGC00385198-01_C37H50O9_NCGC00380713-01_C21H35NO6S_Cysteine, S-[(6E,9E)-5-hydroxy-8-methoxy-5,9,13,14-tetramethyl-2-oxooxacyclotetradeca-6,9-dien-4-yl]-(Z)-2-tetracos-15-enamidoethanesulfonic acidSuccinyl sulfathiazole1-Methyluric acidPelargonic acidginsenoside C-K{3,4,5-triacetyloxy-6-[5-acetyloxy-3-(4-methoxyphenyl)-4-oxochromen-6-yloxy]-2 H-3,4,5,6-tetrahydropyran-2-yl}methyl acetatemethyl 9-(2,4-dimethoxyanilino)-9-oxononanoate3,5-Diiodo-L-tyrosineNCGC00168874-03!N-[3-[5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamideEthyl myristateSinomenineminecosideCytokinin BMet-Phe4Cl-OHNCGC00380197-01!2-[[2-(1,3-dicarboxypropyl)-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-4-yl]amino]pentanedioic acidNP-020521fumonisin B4p-Cresol sulfateArachidic acidLuteolin-6-C-arabinoside-8-C-glucosideLeukotriene F4NCGC00386086-01![9-[(E)-3-acetyloxy-4-methylhex-4-en-2-yl]-12-hydroxy-3-(2-hydroxypropan-2-yl)-10-methoxy-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,12,12a-octahydropyrano[3,2-a]xanthen-1-yl] acetatePGPCO-PhosphotyrosineNP-004031ProcymidoneAlpha-dimorphecolic acidN'-(cyclohexylcarbonyl)-4-methyl-1,2,3-thiadiazole-5-carbohydrazideNelfinavirNP-010966NCGC00347544-02!4-hydroxy-3-[(E)-7-hydroxy-3,7-dimethyl-4-oxooct-5-enyl]-5-(3-methylbut-2-enyl)benzoic acidNP-005128Proscillaridin3-Hydroxyvalproic acidFelodipineMyristoleic acid4-Aminophenol(-)-Guttiferone ERobustic acidN-(3-oxododecanoyl) homoserine lactoneFalcarindiolNP-0205158-HydroxyguanosineGanoderic acid K2,4-DB2-AminoflubendazoleGlutamylglutamic acidSaccharin sodium anhydrous5-(2,3-dihydro-1H-inden-5-yl)-2-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidineRutarensinPE(18_1(9Z)_0_0)Fucose 1-phosphateSalicin3-O-p-hydroxybenzoyl ceanothic acidNCGC00386015-01_C32H44O8_Estra-1,5-diene-3,11-dione, 17-[(1R,3E)-1-(acetyloxy)-5-hydroxy-1,5-dimethyl-2-oxo-3-hexen-1-yl]-2,16-dihydroxy-4,4,9,14-tetramethyl-, (9beta,10alpha,16alpha,17beta)-DDMS10E,12Z-Octadecadienoic aciddTMP2-Benzothiazolesulfonic acidCAPSOGlycerophospho-N-Oleoyl Ethanolamineclevidipine6k-PGF1alpha-d42-Naphthalenesulfonic acidCryptotanshinoneCalcitriolNP1EC (TENTATIVE)MedicarpinFraxidinNCGC00347713-02_C36H44N8O9_Cyclo(glycyltryptophylprolylglycylvalylglycyl-beta-hydroxytyrosyl)2,4-dihydroxyheptadec-16-enyl acetatedTDP-D-glucoseLeukotriene C4Gentisic acidNCGC00169202-02!5-chloro-2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehydePaclitaxelAdouetine XTeraspiridole A_130090(plusmn)-Mevalonic acid 5-pyrophosphate tetralithium saltSB 939Penicillin VAmygdalin13,14-Dihydro-15-keto Prostaglandin A2Dopamine5'-Uridylic acid, 2'-deoxy-, disodium saltN-Acetyl-beta-alanineNP-0162342,3-DIACETOXY-7,8-EPOXY-24,29-DINOR-1,3,5-FRIEDELATRIENE-20-CARBOXYLIC ACIDNP-0040202-Methoxyestradiol4-Acetyl-3-hydroxy-5-methylphenyl ?-D-glucopyranosideNCGC00380949-01_C28H42O5_3,5,9,23-Tetrahydroxy-18,22-cycloergosta-6,8(14)-dien-11-oneLeukotriene C4 methyl estermethyl 5-(tert-butyl)-3-{[(4-chlorophenyl)sulfonyl]methyl}thiophene-2-carboxylate2-methyl-3-Pyrimidin-2-yl-Propionic AcidUracilLevocetirizineChloroxynilPalmitoleoyl 3-carbacyclic Phosphatidic AcidMethyl 4-{[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)-2-propanyl]oxy}-3-methoxybenzoate11-DehydrocorticosteroneIodotyrosineNP-016067LysoPA(16_0_0_0)diuron-desmethyl3,5,7,8,15-pentaacetoxy-2-hydroxy-9,14-dioxojatropha-6(17),11E-dieneN2-gamma-GlutamylglutamineFragransin B2conocarpan6-Hydroxy-2-naphthoic acidIDPN1-isopropyl-2-(7-oxabicyclo[2.2.1]hept-2-ylcarbonyl)hydrazine-1-carbothioamideNCGC00169882-02_C14H20O4_(8aR,12S,12aR)-12-Hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-2H-3-benzoxecine-2,9(1H)-dione4-oxo-4-[(3-{4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazino}propyl)amino]butanoic acidNCGC00380425-01!1-(3,5-dihydroxyphenyl)-12-hydroxytridecan-2-oneCholesterol sulfatePC(18_0_10-HDoHE)2-{5-[2-({2-[5-(2-hydroxybutyl)oxolan-2-yl]propanoyl}oxy)propyl]oxolan-2-yl}propanoic acidN'3-(2,2-dimethylpropylidene)-1-(4-isopropylphenyl)-5-methyl-1H-pyrazole-3-carbohydrazideNP-009525N-(1-Amino-1-oxo-2-propanyl)-1,3,4-trihydroxy-5-{[(4-methylphenyl)carbamoyl]amino}cyclohexanecarboxamide3-[(4-chlorobenzoyl)amino]propanoic acidN3-(4-chlorophenyl)-4-(trifluoromethyl)nicotinamide12b-O-[non-2E,4Z-dienoyl]-13_-methylbutyroyloxy-4b-phorbolNP-019562BexaroteneL-Cystine2-({[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]imino}methyl)phenolN2,N2-DimethylguanosineEtamycinN-[3-(aminosulfonyl)phenyl]-2,3-dihydro-1,4-benzodioxine-2-carboxamideGuanidinosuccinic acidCAY10626IsocarbophosIndole-3-acetyl-L-valineDoramapimod(3S,5R,6R,7E)-3,5,6-Trihydroxy-7-megastigmen-9-oneNCGC00386062-01!(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-tetrone1-Deoxy-D-xylulose 5-phosphatePhosphatidylinositol-1,2-dipalmitoylSelenomethionineAdrenic acidNADPHNCGC00178802-07!N-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamide3-Methylthiopropionic acidEthirimol4-Chloro-3-sulfamoylbenzoic acidCyclanilideNCGC00169536-02!2,3-dihydroxypropyl 3-hydroxytetradecanoatecucurbitacin I 2-O-beta-D-glucopyranosideTaurochenodesoxycholic acid3-(1-cyano-1,2-dihydroisoquinolin-2-yl)-3-oxopropyl propionateNCGC00386076-01_C19H33N3O5_2,8-Diisobutyl-5-methyl-1-oxa-4,7,10-triazacyclotetradecane-3,6,9,14-tetrone(1S)-1,5-Anhydro-1-[2,4,6-trihydroxy-3-(4-hydroxybenzoyl)phenyl]-D-glucitolPS(18_0_14,15-EpETE)N-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2,2-dimethylpropanamideHeptenophos1-{[(2R,4S,5S)-5-{[Allyl(methyl)amino]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-[4-(trifluoromethoxy)phenyl]ureaMethylgingerol(+_-)-GingerolXanthopterin-B2CatechinL-902,688NP-000947Cilastatin5,6,7-triacetoxy-3-benzoyloxy-14,15-dihydroxy-9-oxojatropha-6(17),11E-diene (8)NP-019547EP_M4245-KETECAY104081,4-Dihydroxy-2-naphthoateNP-005397ethyl-2-amino-4-methyl-Thiazole-5-CarboxylateNCGC00380378-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] 14-hydroxytetradecanoate3,5-dichlorosalicylic acidPalmitoleic acidNCGC00380235-01_C32H48O9_beta-D-Xylopyranoside, 3,17-dihydroxyspirosta-5,25(27)-dien-1-ylN-(3-Methoxypropyl)-2-{2-[(2,3,4,5,6-pentamethylbenzyl)thio]acetyl}hydrazine-1-carbothioamideHeptadecanoic acidDoxycycline2-methoxy-5-(1H-1,2,4-triazol-5-yl)-4-(trifluoromethyl)pyridineRepaglinideMyriocin-12-enRUTILANTINONE7-{[(2E)-3,7-Dimethyl-2,6-octadien-1-yl]oxy}-1,3-dihydroxy-9H-xanthen-9-oneNCGC00381167-01!(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamideCorchorifatty acid F3-Sialyl-N-acetyllactosaminePhenylacetic acidTriclabendazoleSumatriptanTG (14_0_16_1(9Z)_14_0)-d5Caproic acidLacosamide6-hydroxy-7-methyoxyscytophycin ETelaprevirNeu5Gcalpha2-3Galbeta1-4Glcbeta-Sp5,7-diacetoxy-3-benzoyloxy-14,15-dihydroxy-8-(2-methylbutyryloxy)-9-oxojatropha-6(17),11E-dienePalmitic acidNP-001608(3beta,5xi,9xi)-23-Hydroxy-3-{[beta-D-xylopyranosyl-(1-3)-6-deoxy-alpha-L-mannopyranosyl-(1-2)-alpha-L-arabinopyranosyl]oxy}olean-12-en-28-oic aciddelta-Tocotrienol(Z)-5,8,11-trihydroxyoctadec-9-enoic acidAdenosine 3',5'-diphosphatebekanamycin sulfate(plusmn)4-HDoHEDiethylstilbestrol4-Hydroxycinnamic acid8002-43-5(2S)-7-Hydroxy-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl ?-D-glucopyranosideCefadroxil3-(hexopyranosyloxy)-2-hydroxypropyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoateSpongiacidin CNCGC00380876-01_C29H38O14_Methyl 1,4-bis(beta-D-glucopyranosyloxy)-3-(3-methyl-2-buten-1-yl)-2-naphthoate2-(Methylsulfonyl)-3-(pyrazin-2-ylamino)acrylonitrile1-{[(2R,4S,5R)-5-{[(2R)-2-(Methoxymethyl)-1-pyrrolidinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}-3-phenylureaMeloxicamBerberine2-Amino-3-phosphonopropionic acidLys-Gln-Ala-Gly-Asp-ValPC(16_0e_10-HDoHE)Esculin<U+00EF><U+00BB><U+00BF>BosutinibPhenylbutazoneNCGC00385391-01_C21H38O10_2-[2,3,8-Trihydroxy-8-(hydroxymethyl)-3-methyldecahydro-5-azulenyl]-2-propanyl beta-D-glucopyranosideN-Formyl-L-methionineGlucoerucin (4-methylthiobutyl glucosinolate)DIHYDROGAMBOGIC ACIDCortisone acetatePC(18_1_13-HODE)MLS000859999-01!Dilazep dihydrochlorideNCGC00168955-03![3-hydroxy-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)decan-5-yl] 3,5-dihydroxydecanoate4-[(2S,3S,4S)-4-[4-(?-D-Glucopyranosyloxy)-3-methoxybenzyl]-3-(hydroxymethyl)tetrahydro-2-furanyl]-2-methoxyphenyl ?-D-glucopyranosideBrompheniramineNP-0093303-(2,4-difluoroanilino)-2-(2-thienylsulfonyl)acrylonitrileQuercetinN4-Acetylcytidine3-Hexenedioic acidFormononetinNCGC00381000-01_C30H46O16_DihydroroseosideNCGC00386083-01!dimethyl (2E,6E,11Z)-19-(2-amino-2-oxoethyl)-9,13-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,11-trienedioateCefdinirPelletierine HydrochlorideAclacinomycin AClavulanateNCGC00380345-01!(2S,8R)-8-hydroxy-2-[(1S)-1-hydroxyheptyl]-2,3,4,6,7,8-hexahydrochromen-5-oneSulfamethoxazoleNCGC00384567-01_C10H12N2O3_N-(2-Aminobenzoyl)alanineN-[5-[[4-[4-[acetyl(hydroxy)amino]butylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-N'-(5-aminopentyl)-N'-hydroxybutanediamideNP-0149065-methyl-2-thioxo-3-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydroquinazolin-4-oneNizatidine(1aS,1bS,2S,5aR,6S,6aS)-6-({2,3-Di-O-acetyl-6-deoxy-4-O-[(2E)-3-phenyl-2-propenoyl]-alpha-L-mannopyranosyl}oxy)-1a-(hydroxymethyl)-1a,1b,2,5a,6,6a-hexahydrooxireno[4,5]cyclopenta[1,2-c]pyran-2-yl beta -D-glucopyranosidePC(18_0_9-HODE)N-(1,3-benzodioxol-5-ylmethyl)-N-benzyl-N'-(2,6-dimethylphenyl)thioureaLuteolinAclacinomycin TSalicylic acid4-SulfobenzoateD-Glucosyl-beta-1,1-N-palmitoyl-D-erythro-sphingosinedimethoxy CurcuminNCGC00380847-01!(1R)-2-chloro-1,7-dihydroxy-3,9-dimethoxy-1-methylbenzo[c]chromene-4,6-dioneMannitol 1-phosphateMoxidectinGlycyrrhetinateNCGC00384988-01_C43H72O14_(1S,7S,8xi,9beta,17xi)-1-(beta-D-Allopyranosyloxy)-22-hydroxy-7-methoxy-9,10,14-trimethyl-4,9-cyclo-9,10-secocholesta-5,24-dien-23-yl beta-D-allopyranoside7-hydroxy-5-oxo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1H,5H-pyrido[3,2,1-ij]quinoline-6-carboxamidebeta-N-AcetylglucosamineNobiletinLFM-A1316alpha-HydroxyestroneN-(5-Chloro-6-methyl-2-pyridin-2-ylpyrimidin-4-yl)-N-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}amineN1-(4,5-dihydro-1,3-thiazol-2-yl)-2-(2,4-dichlorophenoxy)propanamide1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-(2-naphthyl)butane-1,4-dioneNP-003827ActeosideTHJ2201 N-pentanoic acid metabolite3,5,7,15-tetraacetoxy-2-hydroxy-8-isobutyroyloxy-9,14-dioxojatropha-6(17),11E-diene (2)N-Acetylmuramate2-HYDROXYXANTHONEL-Isoleucine1,7-Diphenyl-4-hepten-3-oneNCGC00381116-01!(E)-4-hydroxy-4-[4-hydroxy-2-[(E)-6-oxohept-1-enyl]cyclopentyl]but-2-enoic acidall-trans-Retinoic acidNCGC00380804-01_C31H48O10_(2R,3S,4E,6E,8E,10E,12E,14R,15R,16R,18R,22S,24S,26S,27R)-14,16,18,22,24,26-Hexahydroxy-2,3,27-trimethyl-28-oxooxacyclooctacosa-4,6,8,10,12-pentaene-15-carboxylic acidNCGC00381071-01!1,12-dihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexoneNCGC00373238-02_C33H47NO13_Delvocid17-phenyl trinor PGF2alpha diethyl amideIvermectin B1a3,4-dihydro-2H,6H-[1,3]thiazino[2,3-b]quinazolin-6-oneGluconic acidGlabreneHaloxyfopIndoxyl sulfate5,8-Dihydroxy-4-oxo-1,2,3,4-tetrahydro-1-naphthalenyl 6-O-(3,4,5-trihydroxybenzoyl)-?-D-glucopyranosideEthyl 2,3-dioxo-1,2,3,4-tetrahydro-4-quinolinecarboxylateIMP(1S,4R,6S)-1,3,3-Trimethyl-2-oxabicyclo[2.2.2]oct-6-yl hexopyranoside3,7,13,17-O-tetraacetyl-5-O-benzoyl-14-oxopremyrsinolFluphenazine(-)-ArctigeninIrbesartanNCGC00169457-02!5-[(1S,2R,4aR)-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]-3-methylpentanoic acidL-Aspartic acidPE(18_0e_12-HEPE)Artocarpintrans-Cinnamate2'-Deoxyadenosine(3R,4S)-4,6,8-Trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-oneMLS001076298-01!FenamiphosNCGC00384863-01![(E)-3-[4-[1-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxypropan-2-yl]oxy-3,5-dimethoxyphenyl]prop-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoateperfluoroundecanoic acid4-Hydroxyphenylpyruvic acidNCGC00169462-02!17-(2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-oneGanoderenic acid B133-32-4NP-013854Cephalexin4-Imidazoleacetic acid hydrochlorideNCGC00380930-01_C15H26O4_1H-Indene-4-carboxylic acid, octahydro-3a-hydroxy-3-(hydroxymethyl)-1,1,3,5-tetramethyl-PC(16_1e_18-HEPE)2-Hydroxymyristic acidScopolamine hydrobromideNP-020139PantoprazoleNCGC00180697-02_C17H22O3_1,2-Cyclohexanediol, 1-methyl-4-(1-methylethenyl)-, 2-benzoate, (1S,2S,4R)-FeruloylcholineSedoheptulose 7-phosphateCelastramycin AIrinotecan5-methoxy-2-methylbenzene-1,3-diolNADP zwitterion[6]-Gingerdiol 3,5-diacetate5-Hydroxy-L-tryptophanSulfathiazoleHydrocortisone succinate1-({(2R,3S,4R,5S)-3,4-Dihydroxy-5-[2-oxo-2-(1-pyrrolidinyl)ethyl]tetrahydro-2-furanyl}methyl)-3-isopropylureaBarium(2+);[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxy-6-oxohexyl] phosphateD-Glucuronic AcidNP-004714NP-004713TartronateMLS000859925-01!Dihydroergotamine methanesulfonate salt(2E,4E,8E)-7,13-dihydroxy-4,8,12-trimethyltetradeca-2,4,8-trienoic acid5(S)-5-carboxystrictosidineFolic acidCDP2-(Perfluorooctyl)ethanolDeoxyinosineNCGC00380190-01!3,15,21-tris[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]docosanoic acidN-((4-chlorophenyl)carbamothioyl)benzamide6-Ethoxy-2-mercaptobenzothiazole2,3-Dihydrobenzo[4,5]imidazo[2,1-b][1,3]thiazol-3-oneHeptanoic acid4-[7-(hexopyranosyloxy)-5-hydroxy-4-oxo-4H-1-benzopyran-2-yl]phenyl 6-deoxyhexopyranoside7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucosyl]chrysoeriolO-Succinyl-L-homoserineIsosakuranin7-Chlorocitreosein; 2-Chloro-1,3,8-trihydroxy-6-(hydroxymethyl)-9,10-anthraquinoneParaoxonSulfamethoxypyridazineOxoglutaric acidDihydromyricetinBiotin1,2-Dioctanoyl PCNCGC00347572-02_C30H39NO9_Pentanedioic acid, 2-[(2R,2'R,6'S,8a'S)-6'-(acetyloxy)-3',4',4'a,5',6,6',7',8,8',8'a-decahydro-4-hydroxy-2',5',5',8'a-tetramethyl-6-oxospiro[2H-furo[2,3-e]isoindole-2,1'(2'H)-naphthalen]-7(3H)-yl]-, (2S)-Paxilline2,3,5,7,8,15-hexaacetoxy-9,14-dioxojatropha-6(17),11E-diene (5)Syringic acidNeomycinNP-022371Myristyl sulfateN1-(3-amino-4-chlorophenyl)-2-[2,4-di(tert-pentyl)phenoxy]acetamideNCGC00385136-01!3-[1,1-bis(4-hydroxyphenyl)-3-oxo-3-(2,4,6-trihydroxyphenyl)propan-2-yl]-5,7-dihydroxychromen-4-one4-Methoxybenzoate(2Z,6E,10Z)-12-acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid(-)-Spiculisporic acid10-HDA1-HexadecanolAucubin5-CHLOROINDOLE-2-CARBOXYLIC ACIDKanamycin BMethoprotryne[(2E,6Z,10Z)-7,11-bis(acetyloxymethyl)-3,15-dimethylhexadeca-2,6,10,14-tetraenyl] acetateValaciclovirL-Ascorbic acid, 6-octadecanoate1,2,3-Trihydroxybenzenecis-4-Hydroxy-D-prolineOleic acidNCGC00180673-03!1,12,23-trihydroxy-1,6,12,17,23,28-hexazacyclotritriacontane-2,5,13,16,24,27-hexoneOxyphenbutazoneGlutaric acid8,8'-dicarboxy-1,1'-binaphthaleneSclareolDL-Glycerol 1-phosphate2,2-Bis(4-hydroxyphenyl)hexafluoropropanealpha-D-Galactose 1-phosphate dipotassium salt pentahydrate3-tert-Butyladipic acidAflatoxin G2(2S)-Liquiritigenin4-Quinolinecarboxylic acidD-Glyceric acidGinkgolide CN-Acetylglutamic acidAnastrozoleMiglitolAstilbinGlyciteinNCGC00381195-01!(2E,6E,12E)-19-(2-amino-2-oxoethyl)-9,11-dihydroxy-8-methoxy-10,12,14-trimethyl-15-oxohenicosa-2,6,12-trienedioic acid5-Chloro-2-hydroxy-4-methylbenzophenoneNCGC00380570-01![(2R,3R,4R,5R,6S)-4,5-dihydroxy-6-methyl-2-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[(E)-3-phenylprop-2-enoyl]oxyoxan-2-yl]methoxy]oxan-3-yl] (E)-3-phenylprop-2-enoateNCGC00385704-01_C35H54O13_Card-20(22)-enolide, 3-[(6-deoxy-2-O-beta-D-glucopyranosyl-alpha-L-mannopyranosyl)oxy]-14-hydroxy-, (3beta,9xi)-NCGC00347591-02_C50H64O14_AM 404S-Hexyl-glutathione3-bromo-7-NitroindazoleTriclosanNP-020174halometasoneNP-000587NCGC00380349-01_C25H30O13_Cyclopenta[c]pyran-4-carboxylic acid, 6-(acetyloxy)-5-(benzoyloxy)-1-(hexopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-7-methyl-ThiaclopridNCGC00380598-01_C30H49N5O9_3-(3-sec-Butyl-6-isopropyl-5,8,9-trimethyl-1,4,7,10,14,17-hexaoxoicosahydropyrrolo[1,2-d][1,4,7,10,13,16]oxapentaazacyclononadecin-16-yl)-2-methylpropanoic acid4-Pyridoxic acid3,7-O-diacetyl-5,14-O-dibenzoyl-13,17-oxypremyrsinolPraziquantelD-Glucurono-6,3-lactoneGuanosineSinapyl alcohol4-[(?-D-Glucopyranosyloxy)methyl]-6,7-dihydroxy-7-(hydroxymethyl)-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-1-yl 3-methylbutanoateMyricetinNP-012387KetoprofenN6-Carbamoyl-DL-LysineCryptochlorogenic acid1,3,7-Trimethyluric acid3-Oxocholic acid4-methyl-N-(4-sulfamoylbenzyl)-3,4-dihydro-2H-1,4-benzoxazine-6-sulfonamideNCGC00381220-01!16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14-trimethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexoneGlyceric acidPyridoxamine 5'-phosphateCandesartan cilexetilNP-004768IfosfamidePhe4Cl-Ser-OHL-FucoseLoganinChicoric acid6_2 Fluorotelomer sulfonic acidcis-Aconitate4-Bromophenol4-[4-(4-Hydroxy-3-methoxyphenyl)tetrahydro-1H,3H-furo[3,4-c]furan-1-yl]-2-methoxyphenyl hexopyranosideSulfamethazineNCGC00386067-01!2-[2-(19-acetamido-16,18-dihydroxy-5,9-dimethyl-6-oxoicosan-7-yl)oxy-2-oxoethyl]butanedioic acidIproniazidOxalacetic acidPE(16_0e_12-HETE)PyrophosphateNCGC00380931-01_C26H42O10_UridineL-Homocysteic acidNCGC00380160-01_C24H40O5_4-{[5-(7-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acidMesnaNCGC00180613-03!1,11,22-trihydroxy-1,6,11,16,22,27-hexazacyclodotriacontane-2,5,12,15,23,26-hexoneN-methyl Leukotriene C4CymarinStreptozocinNCGC00381139-01!6-benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetroneEquolPesticide1_Omethoate_C5H12NO4PS_NICOLSAMIDE3-Sulfinoalanine3-Hydroxymethylglutaric acidNCGC00169796-02_C20H30O10_2-Phenylethyl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosidePIT-1NCGC00386007-01_C33H48O10_(2alpha,5alpha,9alpha,10beta,14beta)-2,5,9,10-Tetraacetoxytaxa-4(20),11-dien-14-yl 2-methylbutanoate3-IndoleacetonitrileSorbitan palmitate8-Oxo-9-(3,4,5-trimethoxyphenyl)-5,5a,6,8,8a,9-hexahydrofuro[3',4'_6,7]naphtho[2,3-d][1,3]dioxol-5-yl hexopyranosideNP-021074Cyanidin 3-glucosideDiethanolamine6-Hydroxy-1-(hydroxymethyl)-5-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl [3-(trifluoromethyl)phenyl]carbamateCeruleninADB-FUBICA2-oxo-2H-chromene-3-carboxylic acid3,5-Diiodo-L-tyrosine dihydrate2-[(2-{[(Benzyloxy)carbonyl]amino}-3-methylpentanoyl)amino]acetic acidPI(16_0e_12-HETE)(2R)-2-Hydroxybut-3-enylglucosinolateGalactitolSC-58125ZafirlukastSodium mercaptopyruvate dihydratePhosphatidylethanolamine 16_0-16_0Dodecanoylcarnitine5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acidNADL-TyrosineAcetylcarnitineL-DopaSulfamonomethoxineAflatoxin B21-Naphthol-5-sulfonic acidNCGC00169292-02![1-acetyloxy-4-(3-hydroxy-3-methylpent-4-enyl)-3,4,8,8-tetramethyl-1,2,3,5,6,7-hexahydronaphthalen-2-yl] acetateArgininosuccinic acid1-NaphthylamineMidazolamNCGC00381301-01![6-acetyloxy-7-hydroxy-1-(3-methylbutanoyloxy)-7-(3-methylbutanoyloxymethyl)-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-yl]methyl 3-methylbutanoate2-Methylbutyl beta-D-glucopyranosideD-Ribulose 5-phosphate15_-O-acetoxy-7_,14_-O-dibenzoyloxy-5_-hydroxy-3_-O-propanoyloxymyrsinolmethyl 4-(3-{cyclohexyl[(cyclohexylamino)carbonyl]amino}-3-oxoprop-1-enyl)-1-methyl-1H-pyrrole-2-carboxylateDerrusninFAHFA 38_5FAHFA 38_4FAHFA 38_3DAF-2methyl (5Z)-5-[2-(4-hydroxy-3-methoxybenzoyl)oxyethylidene]-4-[2-[2-(4-hydroxyphenyl)ethoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate2-Pyrocatechuic acidPhloretinPC(16_0_13-HODE)CortexoloneMetosulamTrichostatin A3-[4-(Trifluoromethoxy)phenyl]-1,2,4-oxadiazole-5-carbohydrazideGibberellin A124Propachlor ESALys-Phe4Cl-OHAtalaphyllineNCGC00385071-01_C18H23NO4_Furo[2,3-b]quinolin-7-ol, 5,6,7,8-tetrahydro-4,8-dimethoxy-8-(3-methyl-2-buten-1-yl)-RacloprideN1-(3-Methoxypropyl)-2-(3,4,5-trimethoxy-2-nitrobenzoyl)hydrazine-1-carbothioamideLopinavirN4-Anisoyl-2'-deoxycytidineCMP3-{2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-methylhydrazino}-1,3-dihydroisobenzofuran-1-oneSpectinomycinethyl 2-[({[3-(2,6-dichlorophenyl)-5-methylisoxazol-4-yl]amino}carbonyl)amino]-4-methylthiophene-3-carboxylateDeltalineUrocanic acidNCGC00380457-01!4-Nitrophenyl phosphate5-hydroxy-2,2,6,6-tetramethyl-4-{2-methyl-1-[2,4,6-trihydroxy-3-(2-methylpropanoyl)phenyl]propyl}cyclohex-4-ene-1,3-dioneAmoxicillin4-decyl-3-hydroxy-5-oxooxolane-2,3-dicarboxylic acid10Z-nonadecenoic acid9-Hydroxyrisperidone12-deoxyphorbol-13-hexadecanoate3-(11,11-dimethyl-8-methylene-4-oxo-5-bicyclo[7.2.0]undecanyl)oxolane-2,5-dionePerindopril5,7-diacetoxy-3-benzoyloxy-14,15-dihydroxy-8-isobutyryloxy-9-oxojatropha-6(17),11E-diene (9)Indolebutyric acidDocosapentaenoic acid (22n-3)Suberic acidCefradineSulfodehydroluciferin5-MethylcytidineAlpha-TocotrienolPyridoxal 5'-phosphateOxaprozinAstemizoleColeonolLipoate2-ArachidonylglycerolNP-018949NCGC00347395-02_C28H46O9_(3beta,5beta,9beta,10alpha,13alpha,15R)-16-(beta-D-Galactopyranosyloxy)-3-hydroxypimar-8(14)-en-15-yl acetateRitalinic acidGlyphosate [M+Na+]PhenthoateD-Fructose 1-phosphate[(10Z)-6,10-bis(hydroxymethyl)-3-methylidene-2-oxo-3a,4,5,6,7,8,9,11a-octahydrocyclodeca[b]furan-4-yl] 2-methylprop-2-enoateCreatinine5-Methoxy-8-hydroxypsoralenethyl 5-[(2,3-dihydro-1-benzofuran-5-ylsulfonyl)amino]-2-piperidinobenzoatemaravirocdiphenic acidNCGC00380316-01!(2Z)-2-[(E)-11-hydroxy-6-(hydroxymethyl)-2,4,8,10-tetramethyldodec-2-enylidene]-4-methylpentanedioic acid10c-Undecenoic acid(+)-volkensiflavonePyridoxine(R)-(E)-Sulforaphene6-Phosphogluconic acid3-(3,4,5-Trimethoxyphenyl)propanoic acid(-)-Epicatechin 3-O-gallateTrichlormethiazideN1-hexahydropyrimidin-2-yliden-3,5-di(trifluoromethyl)benzene-1-sulfonamideFludarabine phosphate5-Aminopentanoic acidCAY104551,9b-Dihydroxy-6,6,9a-trimethyl-5,5a,6,7,8,9,9a,9b-octahydronaphtho[1,2-c]furan-3(1H)-oneOleyloxyethyl PhosphorylcholineProtoveratrine AParomomycinHispidulin acetatePC(16_1e_17-HDoHE)BUFEXAMACCapsaicinTriethyl phosphateTubocurarineIsochlorogenic acid bCyanidin 3-sambubiosidePC(16_0e_11,12-EpETE)2,6-Bis[(2-hydroxyethyl)amino]-3-nitrobenzonitrilePregabalinBis(4-acetylphenyl) methanedisulfonate3-Deoxy-lyxo-heptulosaric acidNP-016102N1-(1,3-thiazol-2-yl)-2-chlorobenzamideFulvestrant2,4,6-TribromphenolNCGC00385410-01!2,3-dihydroxypropyl 3-hydroxy-13-methyltetradecanoate_1301334-(4-Hydroxyphenyl)-2-butanyl 6-O-[(4?)-?-L-threo-pentofuranosyl]-?-D-glucopyranosideBetaineN-(2-chloro-4-{[4-(2-morpholinoethyl)piperazino]sulfonyl}phenyl)acetamide7-Sulfocholic acidN-(2-cyanoethyl)-N'-(2,3-dihydro-1-benzofuran-5-yl)-N-[2-(2-pyridinyl)ethyl]urea6-{[(1-benzothiophen-3-ylmethyl)amino]carbonyl}-3,4-dimethylcyclohex-3-ene-1-carboxylic acidMLS001074892-01!PD 173074(3R)-8-hydroxy-3-(4-methoxyphenyl)-3,4-dihydro-1H-2-benzopyran-1-onePterinXanthylic acidIndapamideLotaustralinAtovaquoneNCGC00380334-01_C34H42O18_beta-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-6-[[3-O-acetyl-6-deoxy-2-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]-alpha-L-mannopyranosyl]oxy]-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 2-acetateLY-411575NP-017667PC(16_0_11,12-EpETE)4,4'-thiodiphenolg-Carboxyglutamic acidHeneicosanoic acidEnrofloxacin4-hydroxychlorothalonilPipernonalineMilbemectinMalyngamide HN-Acetyl-L-aspartic acidgamma-GlutamylalanineNCGC00180037-02!2-hydroxy-4-methoxy-3-(3-methylbut-2-enyl)-6-pentylbenzoic acidAcetaminophen glucuronideN1-{3-[2-(2-pyridyl)ethyl]phenyl}-4-chlorobenzene-1-sulfonamideCandoxatrilDichlorophenNCGC00347599-02_C32H40O17_Methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(6-O-{6-O-[(2E)-3-(4-hydroxyphenyl)-2-propenoyl]-beta-D-glucopyranosyl}-beta-D-glucopyranosyl)oxy]-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylateMethyl 3-{1-[3-hydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl]-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}acrylate9,10-Epoxyoctadecenoic acidCB-25NCGC00381147-01_C29H39NO8_2-{(4S,5S,5aS,9aS)-4-Methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-2,4,6-octatrienoyloxy]-1-oxo-1,3,4,5,5a,6,7,8,9,9a-decahydro-2H-benzo[e]isoindol-2-yl}pentanedioic acid2-hydroxyanthraquinoneBut-3-enylglucosinolate(9R,10R)-10-hydroxy-8,8-dimethyl-9-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2H,8H,9H,10H-pyrano[2,3-h]chromen-2-oneN-[4-(tert-butyl)phenyl]-N'-(4-piperidinophenyl)urea2-[2-(methylthio)benzoyl]benzoic acidN-dodecanoyl-L-Homoserine lactoneNP-020825Dimethylbenzimidazoleoxetanabeodendroidin XNCGC00380635-01![(2R,3R,4S,5S,6R)-3-acetyloxy-2-(acetyloxymethyl)-5-hexanoyloxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoateNCGC00380976-01_C28H42N2O7_(4E,10E)-13,20-Dihydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3-oxo-2-azabicyclo[16.3.1]docosa-1(22),4,10,18,20-pentaen-9-yl carbamateCaffeateNP-018986resorcinol sulfoxide10-Hydroxydecanoic acidTebufenozideperfluorononanoic acid2,2'-Methylenebis(4-methyl-6-tert-butylphenol)3-{[6-Deoxy-4-O-(?-D-glucopyranosyl)-?-L-mannopyranosyl]oxy}-14,16-dihydroxy-19-oxocard-20(22)-enolideOU749Licoricidin3-[(2R,3S,4R,6R)-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]-4-hydroxy-6-[(4E,6E,9Z)-3-hydroxy-8-(hydroxymethyl)-2,6,10,12-tetramethyloctadeca-4,6,9-trien-2-yl]pyran-2-one19(S)-HETEflubendazole2-linoleoyl-sn-glycero-3-phosphocholineNCGC00381095-01_C26H44O8_7-Hydroxy-4-[(3Z)-5-hydroxy-3-methyl-3-penten-1-yl]-4a,8,8-trimethyl-3-methylenedecahydro-2-naphthalenyl beta-D-mannopyranosideNCGC00386101-01![3-methyl-1-[3-methyl-1-[3-methyl-1-[3-methyl-1-oxo-1-(1,3,4,5,6-pentahydroxyhexan-2-yloxy)pentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl]oxy-1-oxopentan-2-yl] 2-acetyloxy-3-methylpentanoateDeoxycorticosterone 21-glucosideNCGC00385427-01!17-[2,3-dihydroxy-6-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-2,3,14-trihydroxy-10,13-dimethyl-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one7,8-DihydroneopterinDichloroacetate3-(2,6-Dihydroxy-3,4-dimethylbenzyl)-2,4-dihydroxy-6-methylbenzaldehydeN-Acetyl-alpha-D-glucosamine 1-phosphate(3R,4S,6R)-N-(2-Methoxybenzyl)-6-{[4-(2-pyridinyl)-1H-1,2,3-triazol-1-yl]methyl}quinuclidine-3-carboxamideSulfoluciferinchaetoglobosin ANCGC00380113-01!2,3,14-trihydroxy-10,13-dimethyl-17-(2,3,6,7-tetrahydroxy-5,6-dimethylheptan-2-yl)-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-onePymetrozineCodeine_130100Quinate5-Chloro AB-PINACANCGC00384969-01_C22H31NO4_(5R)-3-({(1S,2R,4aS,6R,8aR)-1,6-Dimethyl-2-[(1E)-1-propen-1-yl]-1,2,4a,5,6,7,8,8a-octahydro-1-naphthalenyl}carbonyl)-4-hydroxy-5-(hydroxymethyl)-1-methyl-1,5-dihydro-2H-pyrrol-2-oneTETRAHYDROGAMBOGIC ACIDLipedoside AFlunitrazepamN-{[(2R,4S,5R)-5-(3-Cyclohexyl-1-methyl-1H-pyrazol-5-yl)-1-azabicyclo[2.2.2]oct-2-yl]methyl}acetamideNaringeninGenistinDigoxinAKLOMIDEMontelukastFAHFA 34_11-{4-hydroxy-2-oxo-6-[(1E)-prop-1-en-1-yl]-2H-pyran-3-yl}butane-1,2-dione2-C-Methyl-D-erythritol 2,4-cyclodiphosphateRiluzoleOleoyl SerotoninFructose 1,6-bisphosphateD-XyloseNP-005483D-Ribose 5-phosphateNCGC00380879-01_C23H28O7_1,3-Benzodioxole, 4-methoxy-6-[(2S,3R,4R,5S)-tetrahydro-3,4-dimethyl-5-(3,4,5-trimethoxyphenyl)-2-furanyl]-Jatrophane ester JE-C1DihydroalbocyclineTaxifolinPiplartineThiamine monophosphateMCPAPicrotinMuramic acid(S)-Bromoenol lactoneLinoleic Acid-biotinTAXININE MNCGC00385796-01![(2R,3R,4S,5S,6R)-3,5-diacetyloxy-2-(acetyloxymethyl)-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoateBromacil2,3-BisphosphoglycerateNCGC00384618-01_C33H50O10_(1beta,3beta,9xi,11alpha,14xi)-1,3,11-Trihydroxyfurosta-5,20(22),25-trien-27-yl beta-D-glucopyranosideN-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-2-thiophenecarboxamide2,4-Dichlorophenoxyacetic acidNCGC00380786-01!3-methoxy-4-(3-methylbut-2-enyl)-5-[(E)-2-phenylethenyl]phenolLinezolidenniatin A1AB-CHMINACA 2'-indazole isomerBromofenoxim3-amino-3-(4-chlorophenyl)propanoic acid2,3,5,7-Tetrabromobenzofuro[3,2-b]pyrroleNevskinNCGC00380158-01!2-[2-[2-[[2-[2-(2-hydroxypropanoylamino)-3-methylbutanoyl]oxy-3-methylbutanoyl]amino]-3-methylbutanoyl]oxypropanoylamino]-3-methylbutanoic acidMethoxsalenNCGC00380552-01_C22H36O3_2(1H)-Naphthalenone, 8-[5-(acetyloxy)-3-methylpentyl]octahydro-4,4,8a-trimethyl-7-methylene-D-MannoseMLS001401365-01!VARDENAFIL CITRATEVITAMIN E SUCCINATE(TOCOPHEROL SUCCINATE)D-GlutamineHyperforin[(2R,3S,4S,5R,6R)-6-{4-[(4,5-dihydroxy-6-{[(4-hydroxy-2-methylidenebutanoyl)oxy]methyl}oxan-3-yl)oxy]-3-methylidene-4-oxobutoxy}-3,4,5-trihydroxyoxan-2-yl]methyl 4-hydroxy-2-methylidenebutanoateLincomycinAustalide H3-MethylcrotonylglycineOctyl glucosidePentadecanoic acidDihydromethysticin(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxyphenyl)hepta-1,4,6-trien-3-oneCnicinSotalolDeoxyuridine2-(6-Hydroxyhexyl)-3-methylenesuccinic acidNP-016354NP-016596NP-016113ZeranolL-ArabinosePalmitoyl dopamineEstrone glucuronideFlutamideFMN(3-)N-AcetylmannosamineIsorhamnetin 3-glucosideATP12-Acetoxyganoderic acid2-[(7-chloro-4-quinazolinyl)oxy]-N'-(1-naphthylcarbonyl)acetohydrazide2-(1,3-Benzodioxol-5-yl)-4,5,6,7-tetramethyl-1H-benzimidazole(3'alpha,5'alpha,9'xi,10'beta)-O-(3-Hydroxy-7-drimen-11-yl)umbelliferoneN1-(4-isopropylphenyl)-4-(2,5-dioxotetrahydro-1H-pyrrol-1-yl)benzene-1-sulfonamideNP-020205TaurocholateN-AcetylserotoninBerbamine3-[4-(tert-Butyl)anilino]-1-[4-(tert-butyl)phenyl]-2,5-dihydro-1H-pyrrole-2,5-dioneN-methyl arachidonoyl amineMaltotetraoseAprobarbitalTonantzitlolone A10-Nitrolinoleic acidFAHFA 36_3Dehydrocholic acidFAHFA 36_1FAHFA 36_0MimosinePC(14_0_10-HDoHE)FAHFA 36_4Rhizoxin4-hydroxy-1-methyl-3-(phenylthio)-1,2-dihydroquinolin-2-onetrans-Zeatin ribosidePC(16_0_10-HDoHE)GARCINOLIC ACIDBusulfanBerchemioside AhematoporphyrinEthylmethylacetic acidEmtricitabine5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1-2)-[6-deoxy-alpha-L-mannopyranosyl-(1-6)]hexopyranosideL-a-LysophosphatidylserineDimethenamid-ESAFumitremorgin AErgocalciferolShikimate 3-phosphateQuinineL-Malic acidCAY10508Dehydroepiandrosterone6-Hydroxy-1-(hydroxymethyl)-5-{2-[2-(hydroxymethyl)-1-pyrrolidinyl]-2-oxoethyl}-1,4a-dimethyldecahydro-2-naphthalenyl phenylcarbamateMyristic acid15-Deoxy-d-12,14-PGJ2NP-005292Cladribine3-(Uracil-1-yl)-L-alanineSuccinic acidNCGC00347850-02_C26H42O6_2-(4a-Methyl-8-methylenedecahydro-2-naphthalenyl)-2-propanyl 6-deoxy-2-O-[(2E)-2-methyl-2-butenoyl]hexopyranoside2,4-DinitrophenolL-ArginineEstradiol valerateNCGC00385247-01_C21H32O8_(3S,3aS,6E,9S,10E,11aS)-3,6,10-Trimethyl-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-9-yl beta-D-glucopyranosidesulfachlorpyridazineHippuric acidPristimerinN1-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]-2,2-dichloroacetamideGalactosylsphingosineCAY10526ChlorthalidoneCytarabineChloridazon-methyl-desphenylgamma,gamma-Dimethylallyl pyrophosphate triammonium saltNateglinideCephalomannineN-Arachidonoyl-L-Alanine(-)-WikstromolHISTAMINE DIHYDROCHLORIDEOxoadipic acidNP-006122NP-008301EnalaprilatInosineL-Serine3-Nitro-L-tyrosineensulizoleDidanosineLumichromeKurahyneQuinacrineNCGC00385399-01!3-hydroxy-5-methoxy-3-methoxycarbonyl-5-oxopentanoic acidGlycerophospho-N-palmitoyl ethanolamineOuabain13(S)-HPOTeuphodendroidin WPregnenoloneOleic Acid-biotinAB-FUBINACA metabolite 3PG(18_1_11,12-EET)NCGC00385195-01_C35H52O14_Carda-5,20(22)-dienolide, 3-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-14-hydroxy-, (3beta)-Ellagic acideuphodendroidin F17-phenyl trinor PGF2alpha amideNCGC00380815-01_C31H42O7_5-Heptenoic acid, 2-[(4alpha,5alpha,6beta,8alpha,9beta,13alpha,14beta,16beta,17E)-16-(acetyloxy)-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxogon-1-en-17-ylidene]-6-methyl-, (2E)-MethotrexateNP-019001NP-020236NCGC00381342-01!3-[(E)-prop-1-enyl]pentanedioic acidNP-019483euphodendroidin BDarunavir Ethanolate (Prezista)Verproside1,8-ANSScytophycin AScytophycin BLanosterinMicrocystin LF6-O-[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]-1-O-[(2E)-3-phenyl-2-propenoyl]-?-D-glucopyranoseGamma-Linolenic acidgamma-GlutamylcysteineCucurbitacin BDichlormid1-(3-Cyanophenyl)-3-{[(2R,4S,5S)-5-{[4-(4-fluorophenyl)-1-piperazinyl]methyl}-1-azabicyclo[2.2.2]oct-2-yl]methyl}urea1,7-Bis(4-hydroxyphenyl)hept-1-en-3-one; MFCD19441072DantronDecahydrogambogic AcidNP-021797NCGC00381238-01_C31H47NO8_2-[(2E,5E,7E,11E)-10-Hydroxy-3,7,9,11-tetramethyl-2,5,7,11-tridecatetraen-1-yl]-5,6-dimethoxy-3-methyl-4-pyridinyl 6-deoxy-alpha-L-mannopyranosideScandosideNP-022407Orotidylic acidmonolinoleinPC(18_0_12-HEPE)Kaempferol 3,7-diglucosidehelicinGambogic acid10Z-Heptadecenoic acid(R)-3-Hydroxybutyric acidSalidrosidePicolinic acidNCGC00386071-01![3-methyl-1-[3-methyl-1-oxo-1-(2,3,4,5,6-pentahydroxyhexoxy)pentan-2-yl]oxy-1-oxopentan-2-yl] 2-hydroxy-3-methylpentanoateNCGC00385214-01_C35H54O9_beta-D-Xylopyranoside, 1,3,4,6,7,7a,7b,8,9,10,11,13,13a,15,15a-pentadecahydro-13-hydroxy-11-(1-hydroxy-1-methylethyl)-1,1,7a,8,13a-pentamethyl-10,12a-epoxy-2H,5H-cyclopropa[1',8'a]naphth[2',1'_4,5]indeno[2,1-b]oxepin-2-ylPyroglutamic acidThyroxinePesticide3_Pirimicarb_C11H18N4O2_2-(Dimethylamino)-5,6-dimethyl-4-pyrimidinyl dimethylcarbamateDAPT2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-O-beta-D-xylopyranosyl-beta-D-glucopyranosideTrichlopyrMLS002153952-01!beta- Belladonnine dichloroethylate191355-47-25,7-Dihydroxyflavoneperfluorobutyric acidNCGC00381391-01_C11H22O3_1-(2-Hydroxyethyl)-2,2,6-trimethyl-1,4-cyclohexanediolLSM-6370NCGC00347810-02![5-formyl-4,8-dihydroxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-8a-methyl-2,3,4,4a,5,6,7,8-octahydro-1H-naphthalen-2-yl] 3,4-dihydroxy-2-methylidenebutanoateFraxin(-)-EpigallocatechinDeoxyguanosinevandetanibNP-007494GingerolNCGC00169906-03_C30H36O9_2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aS,5R,6R,9aR,10S,10aR)-N-Desmethyl sildenafil (UK-103,320)Cholic Acid Methyl Ester12-Hydroxy-3,7,11,15,23-pentaoxolanost-8-en-26-oic acidtBuO-val-hexanoate (tert-butyl hexanoylvalinate)L-NorvalineGuanosine 5prime-diphosphate (GDP)Docosahexaenoyl GlycineSildenafilL-4-Hydroxyphenylglycinebis(7)-Tacrine12b-O-[deca-2Z,4E,6E-trienoyl]-13_-isobutyroyloxy-4b-deoxyphorbolPhenyl acetateFluazinamNP-015930ThymidineNCGC00386085-01_C32H44O10_pyroglutamylglycine1,8-Dinitropyrene(3-hydroxy-4-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}phenyl)methyl 3,4-dihydroxybenzoateHEPCNCGC00347778-02_C34H52O12_1,5,16-Trihydroxy-26-oxo-6,7_22,26-diepoxyergost-24-en-3-yl hexopyranosideSphingosine Kinase Inhibitor 22-[(2-chloro-6-fluorobenzyl)oxy]ethyl N-(4-chlorophenyl)carbamateNCGC00384545-01![(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-8-methoxy-4-oxochromen-7-yl]oxy-3,4-dihydroxy-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]methyl acetateNP-020283NP-022221PC(18_0_18-HETE)Dihomo-gamma-linolenate3-O-vanillyceanothic acid3-O-protocatechuoyl ceanothic acid 2-methyl esterUsnic acidValganciclovirDeoxycorticosterone acetate12b-O-[octa-2Z,4E-dienoyl]-13_-isobutyroyloxy-4b-deoxyphorbolperfluorooctanesulfonamideVitamin K12,3,4,5-tetrabromo-6-(3,5-dibromo-2-methoxyphenoxy)phenolMethyl jasmonate3-methoxy-2-(3-methylbut-2-enyl)-5-pentylphenolNP-015929NP-014839NP-020271O-PhosphothreonineNonadecanoic acidNCGC00381305-01_C24H32O12_Cyclopenta[c]pyran-4-carboxylic acid, 1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5,6-dihydroxy-7-methyl-, 2-(4-hydroxyphenyl)ethyl esterAzathioprineN-Methyl-D-aspartic aciddihydroergocristineNP-021114Metribuzin-desaminoNP-021116NCGC00347666-02!2,4-dihydroxy-6-methyl-3-[(2E,4E)-3-methyl-5-[(1R,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]penta-2,4-dienyl]benzaldehydeneotameOxycodoneMitragynine17a-EthynylestradiolCucurbitacin I 2-O-?-D-glucopyranosideAllantoic acidN-[4-(aminocarbonyl)phenyl]-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxamideEpicatechinLappaconitineN-({(2R,4S,5R)-5-[3-(3,4-Dimethoxyphenyl)-1-methyl-1H-pyrazol-5-yl]-1-azabicyclo[2.2.2]oct-2-yl}methyl)-4-methoxybenzamideAzelaic acidTRIPTOPHENOLIDE1-heptadecanoyl-sn-glycero-3-phosphocholineL-2-Hydroxyglutaric acidPI(18_0_12-HETE)Prostaglandin F2aSalicyluric acidUNC0638NCGC00180336-03!16-butan-2-yl-10,11,14-trimethyl-13-propan-2-yl-3-prop-2-enyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexoneTolterodinePhosphocreatineTartaric acidMLS001148225-01!(-)-BEBEERINE3-hydroxy-2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}-3-(methoxycarbonyl)pentanedioic acid2,4-dichlorobenzoateNP-008147Disperse red 17PsoralenS-LactoylglutathioneNP-011548NCGC00253541-03_C27H40O2_(2R)-2,8-Dimethyl-2-[(3E,7E)-4,8,12-trimethyl-3,7,11-tridecatrien-1-yl]-6-chromanol3-ChlorotyrosineHexadecanedioateBiopterinTobramycinDaidzeinProstaglandin F1aPE(16_0_10-HDoHE)Dinoseb6?-Prostaglandin I1DNOCCARMINIC ACIDfalseBifidobacterium animalis subsp. lactis V9 Overcomes CYFRA 21-1-Linked Immunochemotherapy Resistance in NSCLC via Microbial MetabolitesElevated serum cytokeratin 19 fragment (CYFRA 21-1) marks aggressive diseaseand poor response to immunochemotherapy in advanced non-small cell lung cancer(NSCLC), but its link to gut microbiome dysfunction remains unclear. We show thathigh CYFRA 21-1 levels correlate with depletion of Bifidobacterium animalis andantitumor metabolites. Gut microbial metabolites from these patients suppressimmunochemotherapy efficacy in mice through dysregulated tryptophan andphenylalanine metabolism. Adjuvant Bifidobacterium animalis subsp. lactis V9 (B.lactis V9) restores gut microbial balance and increased quinaldic acid and catechol,which enhance antitumor immunity and induce tumor cell death via caspase-dependentapoptosis and ferroptosis. This benefit transfers via fecal supernatant, independent ofbacterial colonization. In a randomized, double-blind, placebo-controlled trial (n = 30),adjunctive B. lactis V9 improves objective response rate (47% vs. 33%), disease controlrate (87% vs. 67%), and prolongs progression-free survival in responders, establishinga metabolite-mediated strategy to overcome treatment resistance in high-CYFRA 21-1NSCLC.2026-07-212025-11-08MTBLS13300