MetaboLightsapplication/xmlftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/m_MTBLS1622_LC-MS_positive_hilic_metabolite_profiling-1_v2_maf.tsvftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/a_MTBLS1622_LC-MS_positive_hilic_metabolite_profiling.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/s_MTBLS1622.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/i_Investigation.txtftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_08_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_01_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_02_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_06_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_04_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_01_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_07_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_06_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_03_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_05_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_08_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_09_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_06_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_10_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_10_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_01_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/QC_03_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_03_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_06_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/QC_03_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_07_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_07_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_07_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_04_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_01_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_05_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/QC_01_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_05_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_08_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_10_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_02_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/QC_02_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_09_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_08_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_04_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_03_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/QC_02_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_03_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_10_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/aging_mouse_liver_for_allccs4_archive.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_09_MA-d3-c3_SR.d.zipftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_02_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_05_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_09_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/QC_01_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/104W_02_MA-d3-c3_SR.cefftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS1622/036W_04_MA-d3-c3_SR.d.zipprimaryOK2000000Zhiwei ZhouMetaboLightsPublicLiquid Chromatography MS - positive - hilic<p>The data acquisition was operated in IM-Q-TOF mode. The source parameters were set as follows: sheath gas temperature, 325 °C or 275 °C in positive or negative modes; dry gas temperature, 300 °C; sheath gas flow, 11 l/min; dry gas flow, 8 l/min; capillary voltage, 4000 V or -3000 V in positive or negative modes, respectively; and nebulizer pressure, 20 psi or 25 psi in positive or negative modes, respectively. The TOF mass range was set as m/z 50 – 1700 Da. For ion mobility parameters, the nitrogen (N2) was used for the drift gas. Other related IM parameters were set as follows: entrance and exit voltages of drift tube, 1600 V and 250 V; trap filling and trap release times, 20000 μs and 150 μs. The pressure of drift tube was set at 3.95 Torr. The MS/MS spectra were acquired in the 'Alternating frames' mode, and the collision energy was fixed at 20 V in frame 2. The CCS values were calculated with single electric field method. All data acquisitions were carried out using MassHunter Workstation Data Acquisition Software (Version B.08.00, Agilent Technologies, USA).</p><p><br></p><p>Chemical standards were first dissolved at 0.01 mg/ml in either H2O, MeOH, CH2Cl2, DMSO or their mixture with different proportions depending on compound polarity and solubility, and subject to measurements of CCS values and MS/MS spectra. The CCS values were independently measured 3 times across 2 months using a single-field approach on Agilent DTIM-QTOF-MS 6560 instrument according to our previous publication<strong>[1]</strong>. The MS/MS spectra were acquired using targeted MS/MS method with 3 different collision energy levels (10 V, 20 V, and 40 V).</p><p><br></p><p><strong>Ref:</strong></p><p><strong>[1]</strong> Zhou Z, Shen X, Tu J, Zhu ZJ. Large-Scale Prediction of Collision Cross-Section Values for Metabolites in Ion Mobility-Mass Spectrometry. Anal Chem. 2016 Nov 15;88(22):11084-11091. doi:10.1021/acs.analchem.6b03091. PMID: 27768289</p><p>A UHPLC system (Agilent 1290 series) coupled to a quadruple time-of-flight mass spectrometer equipped with an ion-mobility drift tube (Agilent DTIM-QTOF-MS 6560, Agilent Technologies, USA) was used for LC-IM-MS/MS data acquisition. The LC separation was performed on a Waters BEH Amide column (particle size, 1.7 μm; 100 mm (length) x 2.1 mm (i.d.)) maintained at 25 °C. The solvent A was 100% H2O with 25 mM NH4OAc and 25 mM NH4OH, and solvent B was 100% ACN. The flow rate was 0.3 ml/min, and the gradient was described as follows: 0-1 min: 95% B, 1-14 min: 95% B to 65% B, 14-16 min: 65% B to 40% B, 16-18 min: 40% B, 18-18.1 min: 40% B to 95% B and 18.1-23 min: 95% B. The sample injection volume was 2 μl.</p>Ion Mobility Collision Cross-Section Atlas for Known and Unknown Metabolite Annotation in Untargeted Metabolomics. 10.1038/s41467-020-18171-8.Shanghai Institute of Organic Chemistry, Chinese Academy of SciencesMus musculusmass spectrometry<p>Metabolite extraction followed our previously published protocol<strong>[1]</strong>. Briefly, 10 mg of mouse liver tissues was firstly homogenized with 200 μl of H2O and 20 ceramic beads (diameter, 0.1 mm) using a homogenizer (Precellys 24, Bertin Technologies) at the low temperature condition. The protein concentration of the homogenized solution was measured with the Pierce BCA Protein Assay Kit (Catalog No. 23225, Thermo Fisher) for normalization. 100 μl of homogenized solution was used for metabolite extraction. A total of 100 μl of H2O and 800 μl of solvent mixture of ACN:MeOH (1:1, v/v) was added, and vortexed for 30 s, and sonicated for 10 min at 4 °C water bath. After incubation for 1 hour at −20 °C, the sample was further centrifuged for 15 min at 13,000 rpm and 4 °C. The supernatant was collected and evaporated to dryness at 4 °C. The dry extracts were then reconstituted into 100 μl of ACN:H2O (1:1, v/v), followed by sonication at 4 °C for 10 min, and centrifuged at 13,000 rpm and 4 °C for 5 min to remove the insoluble debris before LC-IM-MS/MS analysis.</p><p><br></p><p><strong>Ref:</strong></p><p><strong>[1]</strong> Shen X, Wang R, Xiong X, Yin Y, Cai Y, Ma Z, Liu N, Zhu ZJ. Metabolic reaction network-based recursive metabolite annotation for untargeted metabolomics. Nat Commun. 2019 Apr 3;10(1):1516. doi:10.1038/s41467-019-09550-x. PMID:30944337</p>https://www.ebi.ac.uk/metabolights/MTBLS1622Zhou Zhiwei. Interdisciplinary Research Center on Biology and Chemistry (IRCBC), Shanghai Institute of Organic Chemistry (SIOC), Chinese Academy of Sciences (CAS). zhouzw@sioc.ac.cn. +86-1752133825.Zhu Zheng-jiang. Interdisciplinary Research Center on Biology and Chemistry (IRCBC), Shanghai Institute of Organic Chemistry (SIOC), Chinese Academy of Sciences (CAS). 26 Qiuyue Road, Pudong, Shanghai, China 201210. jiangzhu@sioc.ac.cn. +86-21-68582296.<p>Raw MS data files (.d) were first recalibrated using IM-MS Reprocessor (Version B.08.00, Agilent Technologies). Then, the smoothing and saturation repair were performed using PNNL PreProcessor (Version 2018.06.02). The CCS calibration was performed by IM-MS Browser software (Version B.08.01, Agilent Technologies). The pre-processed data files were submitted for feature finding, alignment, and MS/MS spectra extraction using Mass Profiler (Version 10.0, Agilent Technologies). Finally, the peak table and MS/MS spectra (.CEF format) files were exported for metabolite annotation.</p>Age<p>Aging mouse liver tissues (c57BL-6J; 36-week vs. 104-week; n = 10 for each group) were dissected, frozen with liquid nitrogen, and stored at −80 °C.</p>Metabolomicsultra-performance liquid chromatography-mass spectrometrytandem mass spectrometryIon mobility spectrometry-mass spectrometryuntargeted metabolitesagingultra-performance liquid chromatography-mass spectrometrytandem mass spectrometryIon mobility spectrometry-mass spectrometryuntargeted metabolitesagingliver<p>The metabolites were annotated using multi-dimensional match as we described before. The m/z tolerance was set at 25 ppm, and only [M+H]+ and [M-H]- adducts were considered for positive and negative modes, respectively. The MS-FINDER was used for in-silico MS/MS match, and kept chemical structures within top 3 formulas for unknown metabolite annotation. The known metabolite database (KEGG and HMDB) and the extended database were used for known and unknown metabolite annotation, respectively.</p>(3R,4S)-2-(Hydroxymethyl)oxolane-2,3,4-triol(Hydroxymethyl)urea3,6,4'-TrihydroxyflavoneAnatabine(-)-beta-Phellandrene4-Amino-2-methoxyphenol3-(Dimethylamino)propanal3-[(3S,5S,8R,9S,10R,13R,14S,17R)-3-[(2R,4S,5S,6R)-4,5-Dihydroxy-6-methyloxan-2-yl]oxy-5,14-dihydroxy-10-(hydroxymethyl)-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one17alpha-Methyl-6,7-dehydrotestosteroneEctoineN-EthylanilineTiliroside4-Aminopiperidine-1-carboxylic acid(4-Nonylphenyl) hydrogen sulfate(1R,9S,10S)-4,12-Dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraene-3,13-diolDL-Xylose3-Oxopristanic acidBifenazatealpha-(p-Methoxyphenyl)-6-methyl-2-pyridineacrylic acid18:0/15-Hete-PE(3R,4S,5R,6R)-6-(Hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxane-2,3,5-triolC115692-Methylpropanal O-methyloximeHispidolAdenosine-2'-5'-diphosphate2',6'-Dihydroxy-4'-methoxyacetophenoneNapellineN-Methyl-3-aminomethylindole2-Amino-9,10-epoxy-8-oxodecanoic acid3-Methoxy-16-methyl-estra-2,5(10)-diene-16beta,17beta-diol3-O-Acetyl-4'-O-demethylpapaveroxineO-Butanoylcarnitine(5Z,8Z,11Z,14Z,17E)-Icosa-5,8,11,14,17-pentaenoic acidN6-Acetyl-L-lysineBebeerineMethaphenilene(2S)-2-Ammonio-2-phenylacetateTetramethrinbeta-D-XylopyranosePropoxycaineN-(4-Amino-3-methylphenyl)acetamide2-(Methoxymethyl)-1,3-dihydroxyanthraquinone7-DehydrodesmosterolMethyltestosterone1-Nitro-5-glutathionyl-6-hydroxy-5,6-dihydronaphthaleneCyclo(deltaAla-L-Val)Adenosine-5'-diphosphateNorethynodrel3-AcetylmorphineBorreverinebeta-D-Ribopyranose(4R,4As,7aR,12bS)-6-benzyl-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-oneEpimestrolLevetiracetamPantothenic acidS-(2-Methylbutanoyl)-dihydrolipoamide3-DehydroretinalD-LyxoseAspoxicillin7-Deaza-7-aminomethyl-guanine4-Hydroxy-4-pyridin-3-ylbutanalProstaglandin C2(6R,7R,10R,11R,12E,17E,19E,21S)-6-[2-(Diethylamino)ethylsulfonyl]-21-hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),12,17,19,25(28)-pentaene-2,8,14,23-tetroneStenboloneSuccinyladenosine2-Formaminobenzoylacetate2-Heptyl-4-hydroxyquinoline n-oxideEseramine(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinic acidgamma-Glutamyltyramine9beta-Pimara-7,15-dien-19-oic acidCytidine, 2'-deoxy-5-(hydroxymethyl)-Samandenone(1R)-4-[(1E,3E,5E,7E)-9-Hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-olPlanteose6-Amino-9-[(2R,3R,5S)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one6alpha-Hydroxy-3-oxo-5beta-cholan-24-oic AcidPyridine(R)-(-)-alpha-PhellandreneAcetophenazineCephaloceroneN-[2-(Hydroxymethyl)phenyl]formamide4-Chlorotoluene(2r)-2-[(R)-Amino(Carboxy)methyl]-5-Methyl-3,6-Dihydro-2h-1,3-Thiazine-4-Carboxylic Acid2,3-Dihydroxyindole12beta-Hydroxy-3-oxo-5beta-cholan-24-oic AcidKaurenoic acidProstaglandin A24-Nitrophenyl-beta-D-galactopyranoside15-Oxo-ETE(2S)-2-[[(2S)-2-[[(2S)-2-Amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoic acid7alpha-Hydroxy-cholest-5-en-3-oneAdenosine(8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-17-oneBracteolineThiothece-4744-Isopropylbenzoic acidProstaglandin B23-Amino-4-propoxybenzoic acid7alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic Acid4-(Methylamino)benzoic acidCathinone1-Methyl-6-oxo-1,6-dihydropyridine-3-carboxamide(3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triolAldicarbalpha-Hydroxy-N-desmethyltamoxifenParaquatCiliatocholic acid15beta-Hydroxy-7alpha-mercapto-pregn-4-ene-3,20-dione 7-acetate6-Methylthioguanosine monophosphateBetonicineS-(p-Azidophenacyl)glutathione10-Formyltetrahydrofolic acid5-Methylcytosine7-Hydroxy-2-acetamidofluorene(3-Amino-4-methylanilino) acetate3-(3,4-Dimethoxyphenyl)propionic acidcis-ZeatinFenpropathrin(3S,8R,9S,10R,13S,14S,17R)-17-[(2S)-2-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol7beta-Hydroxy-3-oxo-5beta-cholan-24-oic AcidMorphinone3-Methyl-l-tyrosineSergeolide2-Amino-5-[[3-(2-carboxyethylsulfanyl)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidSphingosine(4S,5R)-5-(Hydroxymethyl)oxolane-2,3,4-triol2-(Acetamidomethylidene)succinic acid(2S,3S,5R,6R)-3-[2-[3-[[(2R)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethylsulfanyl]-6-(2-hydroxypropan-2-yl)-7-oxo-1-azabicyclo[3.2.0]heptane-2-carboxylic acidCalcimycin2-Butanone, 3-(methylthio)-, O-[(methylamino)carbonyl]oximeIndole-3-glycerol phosphate2alpha-(Hydroxymethyl)-17-methyl-5alpha-androstane-3beta,17beta-diol5-[(Z)-Aminomethylideneamino]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]imidazole-4-carboxylic acidGlutaryl-7-aminocephalosporanic acid3-Hydroxyisovaleryl-CoACycleanineMethylenediurea2-(Acetyloxyamino)benzoic acidLysine4-(Oxiran-2-ylmethoxy)aniline19(S)-HeteN-Formyl-L-methionyl-L-leucineS-Adenosyl-L-homocysteineD-ArabinoseS-(3-Methylbutanoyl)-dihydrolipoamide-E11beta-Hydroxyandrostenedione4-Amino-3,5-dimethylphenol(3S,4S,5R,6R)-4-[(2R,3S,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triolPrednisoloneRaucaffrineNitrosonipecotic acidTricoumaroyl spermidineGentianadineAnnulolineHinokitiol7-MethylguanineDehydrocoformycinSerratine(1S,2R,9S,10S)-16-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one5,6-DihydrouridineMelochinone2-HydroxyiminostilbeneN-(2,4,5-Trimethylphenyl)acetamide3,6-Dihydronicotinic acidCarinatine4-NitrosoanilineMultifidol2-[[(4R)-4-[(3R,5S,7R,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]ethanesulfonic acidD-CarnitineIsochondrodendrineNopaline2-(Hydroxy-methoxy-phosphinoyl)oxyethylaminoformamidineN-AcetylimidazoleSolanesyl-PPN-(5-Phospho-beta-D-ribosyl)anthranilic acid(3S,7R)-16-Hydroxy-11-methoxy-6,8,19-trioxapentacyclo[10.7.0.02,9.03,7.013,17]nonadeca-1,4,9,11,13(17)-pentaen-18-onealpha-D-Manp-(1->2)-alpha-D-Manp-(1->2)-D-ManpIndole-3-carboxaldehydeTretinoin(8R,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-6-methylidene-4,5,7,8,9,11,12,14,15,16-decahydro-3H-cyclopenta[a]phenanthren-17-one16,17-(3',2'-Quinolino)androst-5-en-3beta-ol1(2H)-Phthalazinone(R)-6-HydroxynicotineNeurosporaxanthin(3R,4R)-2-(Hydroxymethyl)tetrahydrofuran-2,3,4-triol(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(3S)-3,6-Diaminohexanoic acid1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyridine-3-carboxamideCarnitineIcomucret1,2-Epoxy-3-(p-nitrophenoxy)propane4-Hydroxyphenylacetaldoxime[1,1'-Bicyclohexyl]-1-carboxylic acid11alpha,17beta-Dihydroxyandrost-1,4-dien-3-one1,3-Dihydroxy-N-methylacridone(5R,8R,9S,10S,13S,14S,17R)-17-Hydroxy-17-[(1S)-1-hydroxyethyl]-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one4-Amino-2-hydroxylamino-6-nitrotoluene2,3-Dihydroxybut-3-enoic acid3-Phenylpropionaldoxime2'-Deoxyadenosine-5'-monophosphateC21796(+)-3-CareneCafestolTulipinolideGenisteinDiisooctyl phthalateAntapentan2-Methyl-3-oxo-4H-1,4-benzoxazine-5-carboxylic acidOxadiazon[(2R,3S,4R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen sulfate2,4-DimethylanilineProstaglandin J2Didesmethylcitalopram1-MethyladenosineD-Ribose5-(alpha-Phenylethyl)semioxamazide2-O-(alpha-D-Glucosyl)-sn-glycerol 3-phosphateMethyl anthranilate1H-Imidazo(4,5-b)pyridine, 2-(2-methoxy-4-(methylthio)phenyl)-RubiadinMaleic hydrazideDibenzo-P-dioxinD-ApioseTrichlamide3beta-Hydroxyporiferast-5-en-7-one(3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrolCellotriose2-Hydroxy-1-[(5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneAzotochelinDamascenine4-Amino-5-methylbenzene-1,2-diol5'-MethoxyhydnocarpinPirbuterolTrimethobenzamide(2S,3R,4S,5S,6R)-2-[(3R,4S,5R,6R)-2,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolSpinasteroneHomoglutathione1,2-DiphenylethaneTrigonelline17beta-(Hydroxymethyl)androst-4-en-3-one acetate2-[Bis(2-hydroxyethyl)amino]ethyl hydrogen sulfate(7S,8R)-7-(Hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ol3alpha,12alpha-Dihydroxy-5beta-chol-6-en-24-oic acidMethitural(8R,9S,10R,13S,14S)-13-Methyl-3,17-dioxo-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-10-carbaldehyde(8R,9S,10R,13S,14S,17S)-13-Methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diolGuanosine-5'-monophosphate(-)-Camphenebeta-D-Xylulofuranose5-HydroxykynurenamineN(alpha)-Citryl-N(epsilon)-acetyl-N(epsilon)-hydroxylysine6-(alpha-D-Glucosaminyl)-1D-myo-inositol11-Aminoundecanoic acidAngoline2-(Diethylamino)-1-phenylpropan-1-OL3-MethoxyestriolThalmidine(3S,4S)-2-(Hydroxymethyl)oxolane-2,3,4-triol3-[4-Hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]propanoic acidGentamicin C2al-ArabinofuranoseUniconazole-PCID 131833834MiserotoxinCetiedilC21826(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one(2S,3S,10S)-4-Methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraene-9,12-dioneAndrosta-5,16-dien-3-one1-[(4-Methylanilino)oxy]ethan-1-onealpha-L-Arabinose(Z)-(4-Hydroxyphenyl)acetaldehyde oximeN-Acetylgalactosaminate(1R,2R,4S,9S,10S)-4-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one(2S,3R)-2-(Dimethylamino)-3-methylpentanoic acidLevocarnitineDtdp-3-methyl-4-oxo-2,6-dideoxy-D-glucoseBiotin sulfoneCarlactone4-HydroxyretinalC21819N-(2,5-Dimethylphenyl)acetamide17beta-Methoxyandrost-5-ene-3beta,16beta-diolAnnotinineEicosapentaenoic acid(+)-Camphenep-PhenetidinePseudoecgonine(1R,2R,12R,14S)-9-Methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraene-2,14-diol1-(4-Aminophenoxy)-3-((1-methylethyl)amino)-2-propanol1-Palmitoyl-2-oleoyl-sn-glycerol(+)-beta-Phellandrenealpha-Methyl-tyrosine4,4'-DiapolycopeneN-(2-Aminophenyl)acetamideOxiglutationeCID 918493196-Methyleneandrost-4-ene-3,17-dione(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol3-(2,3-Dihydroxyphenyl)propanoic acid8-Debenzoylpaeoniflorin(8S,9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneNaptalamN-Hydroxy-2-acetamidofluorene(2S)-2-Acetamido-N-[(2S)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methylpentanamideObaberine(R)-S-LactoylglutathioneBluensidineC00913(3S)-All-trans-3-hydroxyretinalN-EthylphenylacetamideJatrophatrioneRheinanthroneVisnaganN-DocosanoylsphingosineOlmesartanFaicarHyoscyamine(8S,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid4-Hydrazinyl-3-nitroaniline1-Hydroxy-2-methoxyanthraquinoneS-Acetyldihydrolipoamide4-Hydrazinobenzoic acidCelloheptaose2-[Benzyl(methyl)amino]acetaldehydeNiflumic acidCalystegin A34',6-Dihydroxyflavone(7R,8R,9S,10R,13S,14S)-7,10,13-Trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-dione10-Hydroxyestra-1,4-dien-3-one acetate3-Methylguanine3alpha,17alpha-Dihydroxy-5beta-pregnan-20-one(1R,6S)-3,7,7-Trimethylbicyclo[4.1.0]hept-3-ene-2,5-dioneEpitulipinolideO-Methylberbamine(8R,9S,10R,13S,14S,15R)-15-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneBiliverdin-IX-deltaDesthiobiotin1-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-Fluoro-3,11,17-trihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanone(3S,4S,5R,10R,13R,14R,17R)-3-Hydroxy-4,10,13-trimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,5,6,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-4-carbaldehyde3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-one2-Phenylbutyramidebeta-PineneSaccharopine2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidVitamin KTyramineC02216Poly(galactosylglycerol phosphate)2-(3-Carboxypropionyl)-6-hydroxy-cyclohexa-2,4-diene carboxylic acidN(2')-Acetylgentamycin C1a(5Z,8Z,10E,14Z)-12-Hydroxyicosatetraenoic acid(8R,9R,10S,13S,14S,17R)-17-Ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one(8R,9S,10R,13S,14S,17S)-17-Hydroxy-10,13,17-trimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one17-(4-Hydroxyphenyl)heptadecanoic acid17beta-Hydroxy-17-methyl-5alpha-androst-9(11)-en-3-oneDana1H-Indol-3-amineNeuraminic acid(2R,4S)-2-Methyl-2,3,3,4-tetrahydroxytetrahydrofuranRodiasine(E)-Indol-3-ylacetaldoxime(-)-Limonene(2S)-2-[[(4S)-4-[[(4S)-4-Amino-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acidN-Benzyloxycarbonyl-L-leucineUrdamycinone FMedrysoneDeoxypeganine3',4',7-Trihydroxyisoflavone17beta-Hydroxy-2alpha-(methoxymethyl)-5alpha-androstan-3-one2-{[Amino(iminio)methyl]amino}ethanesulfonate(4R,4Ar,7aR,12bS)-9-methoxy-2,3,4,4a,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one(2E,4E,6E,8E,10E,12E,14E)-16-Hydroxy-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenal(3-Hydroxy-4-oxo-2-phenylchromen-7-yl) hydrogen sulfateRutaretin1(F)-alpha-D-Galactosylraffinose(1R,2S,4R,8S,9S,12R)-2-Formyl-4,8-dimethyl-13-methylidenetetracyclo[10.2.1.01,9.03,8]pentadecane-4-carboxylic acid3-Methyl-2-oxo-1,2-dihydroquinoline(2S)-2-Azaniumyl-4-(4-hydroxyphenyl)butanoate(3Ar,7aS)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,6,7,7a-tetrahydro-2H-indol-6-olgamma-GlutamylglutamineCafenstroleTricyclodehydroisohumulone3,7-Dihydroxyflavone(6S,8S,9S,10R,11S,13S,14S)-11-Hydroxy-6,10,13-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneD-Cellohexaose1-[(3R,5S,8S,9S,10S,13S,14S,17S)-3,11-Dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneMetolcarb6-Methyl-9,10-didehydroergoline-8-carboxylic acid(3-Methylanilino) acetate4-(Hydroxyamino)-3-methylphenol(4Z,7Z,10Z,13Z,16Z,19Z)-22-Hydroxydocosahexaenoic acid(2E,4E,6E,8E)-9-[(4S)-4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acid(7S,8R,9S,10R,13S,14S)-7-Hydroxy-10,13-dimethyl-2,4,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneTrandolaprilatDigitoxigenin1D-1-Guanidino-1-deoxy-3-dehydro-scyllo-inositol[(1R,3S,7R,8R,9Z)-10-(Hydroxymethyl)-1-methyl-6-methylidene-5,13-dioxo-4,14-dioxatricyclo[9.2.1.03,7]tetradeca-9,11-dien-8-yl] 2-methylprop-2-enoate2-CaffeoylisocitrateEpinorlycoramineL-(+)-Arabinose11(R)-HetePrimetin(+)-Luguine(1S,2S,5S,9S,10R,12R)-5-Methyl-19-oxapentacyclo[10.5.2.01,13.02,10.05,9]nonadecane-6,15-dioneAcacetin1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2H-pyridine-5-carboxamide3-[1-[3-(Dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrolidine-2,5-dione3-MethylindoleGlycyl-L-leucineSwertiamarinLaurolitsine8-Oxo-dGMP7-Keto-dehydroepiandrosterone4-[(5S,6R,9R,13R)-1,7-Diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanoic acidD-LysineFasoracetam(3R,4S,5S,6R)-6-[[(2R,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrolVicenistatinProtoporphyrin IX(8R,9S,10R,12S,13R,14S)-12-Hydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneCID 86289281(8R,9S,10R,13S,14S,17S)-17-Hydroxy-2,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one3-Hydroxystigmast-5-en-7-one7alpha-Hydroxy-4-cholesten-3-oneepsilon-(gamma-Glutamyl)-lysine(1S,2R,3S,4S,7R,8R)-4-Ethenyl-3,6-dihydroxy-2,4,7,14-tetramethyltricyclo[5.4.3.01,8]tetradecan-9-one3-(4-Hydroxycyclohex-2-en-1-ylidene)pyruvic acidBitertanolGardoside2,17beta-Dihydroxy-17-methylandrosta-1,4-dien-3-oneN,N-Dimethyl-4-nitrosoaniline20-Oxoarachidonic acidCinerin IUnii-9ZG6H07U1D2-(4-Hydroxyphenyl)-5,6,7,8-tetramethoxy-2,3-dihydro-4H-chromen-4-onePhenylthioacetohydroximic acidN-Nitroso-N-(hydroxymethyl)methylamineC18609MeIQx6,7,4'-Trihydroxyisoflavone17beta-Hydroxy-2alpha-(hydroxymethyl)-17-methyl-5alpha-androstan-3-one1-Hydroxy-2-acetamidofluorene3,4-Dihydrocaffeic acid(7R)-7-Methyl-6,7-dihydro-5H-cyclopenta[c]pyridine-4-methanolSalvianolic acid A17beta-Hydroxy-1,17-dimethylestr-5(10)-en-3-oneMetabutethamine[4-[(1R)-2-(Tert-butylazaniumyl)-1-hydroxyethyl]-2-(hydroxymethyl)phenyl] sulfate3beta-Hydroxy-4beta-methyl-5alpha-cholest-7-ene-4alpha-carboxylic acidN-Acetylisatic acid1D-Myo-inositol 2-amino-2-deoxy-alpha-D-glucopyranosideL-XyluloseNorwogoninDehydroabietic acid(1S,5R,8R,10S,11R,13R,14S,15S,16R)-7-Ethyl-5-methyl-12-methylidene-7-azahexacyclo[7.6.2.210,13.01,8.05,16.010,15]nonadecane-11,14-diolN-(4-Aminobutyl)-3-(4-hydroxyphenyl)propanamideN-Succinyl-LL-2,6-diaminopimelic acidNorhyoscyamineL-Lyxopyranose(1R,2S,6S,9S,10S,11S,14S,15S,18S,23R,24S)-10-Hydroxy-6,10,23-trimethyl-4-azahexacyclo[12.11.0.02,11.04,9.015,24.018,23]pentacosane-17,20-dione3-Hydroxy-N-[(3S)-tetrahydro-2-oxo-3-furanyl]-octanamideN-[4-(2-Aminoethyl)phenyl]acetamideValinopineNeomycinAmlodipine3-Hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acidSpruceanolMetyridine19-Epi-CathenamineL-Aspartyl-L-phenylalanineParavallarine3-HydroxykynurenamineDL-Alanine4-Methylaminobutanal7,4'-Dihydroxyflavone2-HydroxyquinolineN-Acetyl-L-glutamate 5-semialdehyde(4R)-4-[(3R,8S,9S,10R,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acidMoupinamideGlycitein7alpha-Methyltestosterone21-Acetoxy-11beta,17-dihydroxy-6alpha-methylpregn-4-ene-3,20-dioneCadiamineC10133RhodopinalCiprofloxacinN-(13-Methyltetradecyl)acetamide5,6-DihydroxyindoleN,N-DidesmethyltamoxifenSinapyl alcohol[(4R,4Ar,7aR,12bS)-7-hydroxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetateLevopimaric acidRabeprazoleN,N-Dimethylaniline N-oxide4-(6-Hydroxypyridin-3-yl)-4-oxobutyric acid(1E,3Z)-1-(3,4-Dihydroxyphenyl)-3-hydroxydeca-1,3-dien-5-oneO-Phospho-L-tyrosinebeta-ThujeneMetalaxyl acid(+)-Sabinene17beta-Hydroxy-16alpha-methoxy-androst-4-en-3-one17-Hydroxyestran-3-one(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R,6R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolCoproporphyrin I6-Aminohexanoate3,4,5-Trihydroxy-6-[4-[1-(4-hydroxyphenyl)-3-oxo-2-benzofuran-1-yl]phenoxy]oxane-2-carboxylic acid7alpha,27-Dihydroxycholesteroltrans-ZeatinD-Ribofuranose12(S)-Hete(8S,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-4,5,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dioneFenuron3beta-Hydroxy-16beta-(hydroxymethyl)-5alpha-androstan-17-oneN-Amidino-L-aspartic acidIsoeugenol2-AcetamidophenolDeoxymyxol3-Epi-3-hydroxy-2'-deoxymugineic acidDexpropranolol(8R,9S,10S,13S,14S,17S)-17-Hydroxy-2,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one2-Amino-3-methylbenzoic acid(2R,8R,9S,10R,13S,14S)-2,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione[4-[(Z)-(6-Hydroxy-3-oxo-1-benzofuran-2-ylidene)methyl]phenyl] hydrogen sulfate3-(Pyrazol-1-yl)-L-alanineN-(2-Methoxyphenyl)acetamideNeoabietic acid(E,E,E)-N-(2-Methylpropyl)hexadeca-2,6,8-trien-10-ynamide19-Norpregna-4,17(20)-dien-3-onePhe-ProTrihexyphenidylTriflusulfuron-methyl(1R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-2-en-6-one4-(2-Aminoethyl)-N,N-dimethylanilineZanamivir2-Heptyl-3-hydroxy-4-quinolone1-Methyl-2-nitro-3-((tetrahydrofuran-3-yl)methyl)guanidine2-Amino-5-((1-((carboxymethyl)amino)-3-(methylthio)-1-oxopropan-2-yl)amino)-5-oxopentanoic acido-AcetotoluidideTerpinolene(1S,2R,9R,10S,12S)-12-Hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one3-[(1E,4R)-4-Hydroxycyclohex-2-en-1-ylidene]pyruvic acid(8S,9S,10R,13S,14S,17S)-17-(Hydroxymethyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate1,2,3,4,4a,9,10,10a-Octahydro-6-hydroxy-7-isopropyl-1,4a-dimethyl-1-phenanthrenemethanol(5alpha)-7,8-Didehydro-4,5-epoxy-3-hydroxymorphinan-6-oneGlycine, N-[4-(methylamino)benzoyl]-CalcifediolPhenazopyridineD-Proline betaine4-Hydroxyretinoic acidN-(4-Amino-2-methylphenyl)acetamideChamazuleneC21634(3'S,4'R)-3',4',5'-Trihydroxy-8-oxospiro[6,7-dihydronaphthalene-5,2'-oxolane]-2-carboxylic acidLycoraminePolyneuridine aldehyde3,4,5-Trihydroxy-6-(8-hydroxy-2-oxochromen-7-yl)oxyoxane-2-carboxylic acid(8R,9S,10R,13S,14S)-10,13-Dimethyl-6-methylidene-4,5,7,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione(2S)-2-Azaniumyl-5-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-oxopentanoateFormyl-5-hydroxykynurenamineN-Isovaleryl-L-homoserine lactoneAjaconine3-(Hydroxymethyl)-5,5-diphenylimidazolidine-2,4-dione(5Z,8Z,11Z,14Z)-(17R,18S)-17,18-Epoxyicosa-5,8,11,14-tetraenoic acid4-(2-Aminophenyl)-2-ammonio-4-oxobutanoate8S-HeteN-(4-Hydroxybutyl)acetamideDigiferruginolN-{4-[(2-Hydroxyethyl)amino]-3-nitrophenyl}acetamideDeoxyanisatinD-Sorbitol-6-phosphate(1R)-4-[(1E,3E,5Z,7E)-9-Hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-olN-Succinyl-2-amino-6-oxopimelateProsulfocarbPancuronium4-[(5R,6R,9S,13S)-1,7-Diazatricyclo[7.3.1.05,13]tridecan-6-yl]butanoic acidFicineSpirostan(2S)-2-AzaniumylpropanoateEmodin17beta-Hydroxy-2-methylandrost-1,4-dien-3-oneAjugose6-Acetamido-3-aminohexanoic acidPaspalinineCoproporphyrin III5'-Deoxy-5-fluorocytidine(4Bs,8aS)-4,9-dihydroxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-phenanthren-3-one(4R)-3,4-Dihydro-4-hydroxyphenylpyruvic acid7alpha-Hydroxyandrost-4-ene-3,17-dioneDopamine quinoneEstra-1,3,5(10)-triene-3,6beta,17beta-triol triacetate2-Hydrazinyl-5-nitroaniline6alpha-MethyltestosteroneDesulfoglucotropeolinL-Methionine sulfoxideDicyclopentadiene(2S,5S)-5-Carboxymethylproline(-)-ApoglaziovineBetaine(5R,6R,8S,9S,10R,13R,14S,17R)-5,6-Dihydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,4,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-oneNbbccMetacetamolRoyleanoneLotaustralinalpha-D-RibulosePimaric acidAtherospermidine13-cis-RetinalIsoquinoline4-Hydroxy-2-methoxyphenylacetic acid(2R,3S)-3-Acetamido-4-oxo-2-[(1R,2R)-1,2,3-trihydroxypropyl]-2,3-dihydropyran-6-carboxylic acidN-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine6alpha-Methylandrostenedione7-Hydroxy-4-androstene-3,17-dione1-Dehydro-7alpha-methyltestosteroneKetorolacMethoprene3alpha,21-Dihydroxy-5beta-pregnan-20-one4-OxoretinolNorethindrone3-Nitrotoluene5,6-IndolinediolMycosporineL-XylofuranoseCID 918574823,4-Dihydroxymandelonitrile(2E,4E,6E,8E)-9-[(4R)-4-Hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenoic acidD-Arabinofuranose3-Carbamoyl-2-phenylpropionic acidAllethrin2alpha-Methyl-9alpha-fluorocortisolAmbenonium2-[(2-Hydroxy-4-methylbenzoyl)amino]acetic acid17beta-Hydroxy-7alpha-methylandrost-4-en-3-one propionate1-Hydroxyisoquinolinegamma-Terpinene(2S)-2-Amino-5-[[(2R)-3-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyldisulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acidCodeinone(5Z,8Z,14Z)-12-Oxoicosa-5,8,14-trienoic acid4-Hydroxy-2-methoxy-6-methylbenzoic acidTetrangulol1-Palmitoyl-2-oleoylglycero-3-phosphoglycerolAlditol 6-phosphate4-Fluorophenylalanine3-Hydroxyhippuric acid2-Azaniumyl-3-phenylpropanoate5-Hydroxypentanoyl-CoA6alpha-Fluoro-11beta,17,21-trihydroxy-16alpha-methylpregn-4-ene-3,20-dioneDihydrofolic acid(E,6S)-6-Amino-4-[(E)-2-hydroxyvinyl]-2-oxo-hept-3-enedioic acidStreptobiosamineUnknown4-Guanidinobutyric acidAtropineNetilmicin(2R)-2,4-Dihydroxy-3,3-dimethyl-N-(3-oxopropyl)butanamide(8R,9S,10R,13S,14R)-14-Hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthrene-3,17-dione4'-NitroacetophenoneAll-trans-5,6-Epoxyretinoic acid2-((4-Pyridinylcarbonyl)hydrazono)pentanedioic acid4-Hydroxyhippuric acidp-Coumaryl alcohol 4-O-glucoside1-Nitro-7-glutathionyl-8-hydroxy-7,8-dihydronaphthaleneCytidine-5'-monophosphate-5-N-acetylneuraminic acidPhenindamineTaxodione3alpha,6alpha-Dihydroxy-5beta-pregnan-20-one2'-DeoxycytidineN-Acetylleucyl-leucyl-methioninal4-Oxoretinal3-Hydroxy-2-phenylpropyl carbamateCalycosin3,4-Dimethoxybenzoic acidalpha-Allokainic acid15-Hydroxy-5Z,8Z,11Z,13E-eicosatetraenoic acidArgyrolobine1-(4-(Hydroxyamino)phenyl)ethanone6-alpha-MaltosylglucoseCID 91860285(2-Methylanilino) acetate[1-Hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoateA-Norpregn-3(5)-ene-2,20-dione18R-HepeN-(4-Methoxyphenyl)acetamide(2S)-2-Amino-5-{[imino(nitroamino)methyl]amino}pentanoic acidSarmentosin epoxide5-[(8R,9S,10S,13S,14R,17S)-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pyran-2-onealpha-Methyl-m-tyrosineS-Formylglutathione11-cis-3-Dehydroretinal5-AminopentanalL-Homoarginine4-(4-Hydroxyphenyl)-3-buten-2-olMomilactone AL-ArabinosePhenylcarbamic acidAldosterone hemiacetalAndrostane-3,11,17-trioneAndrost-4-ene-3,11-dione, 17-hydroxy-17-methyl-, (17beta)-1-(Sn-Glycero-3-phospho)-1D-myo-inositolTioproninbeta-L-Arabinose2-Protocatechuoyl phloroglucinolcarboxylateJasmolin IIEthinylestradiol-3-sulfate2-Methoxy-4-methyl-5-nitrophenoldelta-12-Prostaglandin J2(8S,9R,10R,11S,13S,14S,16S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-4,5,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one1,2,3,4,4a,5,6,11,12,12a-Decahydro-8-methoxy-12a-methyl-1-chrysenolO-MethyllycorenineGeraldone(-)-3-Carene(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'S,24'S)-2-Butan-2-yl-12',24'-dihydroxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2',21'-dione(4S,5S)-5-Hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidin-3-ium-4-carboxylateLevamisole(8R,9S,10R,13S,14S)-10,13-Dimethyl-6-methylidene-1,2,4,5,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-dione(2S,3R,4S,5S,6R)-2-[(2R,3R,4R,5R)-5,6-Dihydroxy-2-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(2R)-2-Hydroxy-2-methylbutanenitrileDihydrozeatin-O-glucoside(-)-Slaframine7alpha,17beta-Dihydroxyandrosta-1,4-dien-3-oneRhodexin AS-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] 3-hydroxypentanethioate3-Methyl-1-(2,4,6-trihydroxyphenyl)butan-1-oneArenaemycin E(2S,3R,4S,4Ar,6aR,6bS,8aS,12aS,14aR,14bR)-2-hydroxy-4,6a,6b,11,11,14b-hexamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acidHypoxanthine4-[[(2S)-1-Amino-1-oxobutan-2-yl]amino]butanoic acidGlycinexylididem-Toluidine3beta-Acetoxy-5alpha-pregnan-20-oneCularidineGalactomannanAvenastenoneBenzoic acid, 4-amino-2-propoxy-PE(18:0/20:4(5Z,8Z,11Z,14Z))MessageninIsoboldine5-[Hydroxy(phenyl)methyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acidScoulerineAtractylonPlaunotol M-6[4-[(1R)-2-Amino-1-hydroxyethyl]-2-methoxyphenyl] hydrogen sulfate2-Methylbenzyl cyanideBenzyl chloride11alpha-Hydroxyandrostenedione(6R,8R,9S,10S,13S,14S)-6,10,13-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneAdenine(1S,2R,3S,7R,9R,10R,11S,12R)-3,10,11-Trihydroxy-2-(hydroxymethyl)-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-4-oneN,N'-Diethylthiourea3-(3-Methoxy-4-sulfooxyphenyl)-2-oxopropanoic acidCholine sulfateLythramine2-Amino-9H-pyrido[2,3-b]indoleBis(2-ethylhexyl) phthalateCortisone(R)-Metalaxyl acid2-AmmonioethanesulfonateVerbascose(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R)-4,6-Dihydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol2-Amino-6-azaniumylhexanoate9-Fluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dioneN-Acetyl-D-glucosaminic acidN-Acetyl-S-(2-hydroxyethyl)-L-cysteine4,5-Leukotriene A45(S)-Hete1,4-Dihydro-1-methyl-4-oxo-3-pyridinecarboxamideCalligonine12-Oxo-ltb4MethylprednisoloneL-Prolyl-L-phenylalanine[1-Hexadecanoyloxy-3-[hydroxy-[(2R,3S,5R,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoateN-CyclopropylammelideAcronidineNNAL-N-glucuronide6-[[(4R,4As,7aR,12bS)-4a-hydroxy-7-oxo-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid(9S,13S,14S,16E)-3-Hydroxy-16-hydroxyimino-13-methyl-6,9,11,12,14,15-hexahydrocyclopenta[a]phenanthren-17-oneN-alpha-Acetyl-L-lysine2H-Furo(2,3-h)-1-benzopyran-2-one, 8,9-dihydro-9-hydroxy-8-(1-hydroxy-1-methylethyl)-4-Phenylbutyric acid(2S)-2-(4-Azaniumylbutanoylamino)-3-(1H-imidazol-5-yl)propanoateQuestinGeniposidic acidDesacetyl glutaryl 7-aminocephalosporanic acid(3S,8S,9S,10R,13S,14S,17R)-17-[(2R)-1-Hydroxy-6-methylhept-5-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-olMaltotriose17beta-Hydroxy-4-oxa-5alpha-androstan-3-one acetate9-Hydroxy-2-nitrofluoreneEndoxifen(3R,4S,5R,6R)-4-[(2S,3R,4R,5R,6R)-3,4-Dihydroxy-5-[(2S,3R,4S,5R,6R)-5-hydroxy-6-(hydroxymethyl)-3,4-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol(2S)-6-Amino-2-[[(4R)-4-amino-4-carboxybutanoyl]amino]hexanoic acidNicotinamide(2S,3S)-3-Hydroxy-2-methylbutanoyl-CoACathenamineTriazolealanineMugineic acidDodemorphPenitrem DPenitrem E(2S)-2-Azaniumyl-4-[(R)-methylsulfinyl]butanoate16beta-Hydroxy-3,11-dioxopregna-4,17(20)-dien-21-oic acid, gamma-lactone5-Amino-2-methoxyphenolBiochanin ANisoldipine2,5-Diaminobenzoic acidN-(3-Amino-4-methylphenyl)acetamide(+)-beta-PineneN-(2,4-Dimethylphenyl)acetamide4H-1-Benzopyran-4-one, 7-hydroxy-3-[4-(sulfooxy)phenyl]-(1S,2R)-5,7,8-Trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene5Z,8Z,11Z,14Z-Eicosatetraenedioic acidTenofovir disoproxilGuaiazuleneDaphnandrineKyotorphin17beta-Hydroxy-2alpha-(hydroxymethyl)-5alpha-androstan-3-one4-(2-Aminophenyl)-2,4-dioxobutanoic acidCassine[4-[(3S)-7-Hydroxy-3,4-dihydro-2H-chromen-3-yl]phenyl] hydrogen sulfateHydroxyethylcysteine(+)-AtherospermolineD-Phe-Pro-Arg-CH2Cl2-[(4-Hydroxy-3-methylbenzoyl)amino]acetic acidD-Ribulose4-Hydroxy-1-(3-pyridyl)-1-butanoneIndole-3-acetaldehyde(8S,9S,10R,13S,14S,16S,17S)-17-(2-Hydroxyacetyl)-10,13,16-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneTrimethylenetetraurea[(2R,3S,4R,5R)-5-(4-Amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl [hydroxy-[2-(trimethylazaniumyl)ethoxy]phosphoryl] phosphateIminoarginineEplerenone1-(2-Carboxyphenylamino)-1-deoxy-D-ribulose 5-phosphate(4R)-4-[(3R,5S,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid2-(Benzoylamino)benzoic acid(4R,5R)-6-Amino-4,5-dihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-oneMytatrienediol4-Ethyl-8-(hydroxymethyl)-3-(4-methoxyphenyl)-2,2-dimethylchromen-7-ol(3S,8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7-diolIndolmycenic acidalpha-D-Manp-(1->3)-alpha-D-Manp-(1->2)-D-Manp12R-Hetealpha-Isomaltosyl-(1->3)-isomaltoseProparacaine(6R,8R,9S,10R,13S,14S)-6,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione(1R,3R,8S,10R,13S,16S,17R)-8-Tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione(3R,4S,5S,6R)-6-[[(2S,3R,4S,5R,6R)-3,5-Dihydroxy-6-(hydroxymethyl)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrolChrysophanolBenzoyl chloride2-Azaniumyl-3-(1H-imidazol-5-yl)propanoateCallystatin A17-Ethynyl-10-hydroxy-19-nortestosteroneDephospho coenzyme aL-ApioseButanal, 3-methyl-, oxime, (E)-2'-DeoxyguanosineChrysinEvodone1,3,5,7,9,11,13-PentadecaheptaeneN-(3-Hydroxy-2-fluorenyl)acetamideDinoseb(Z)-N-(2-Oxoethyl)octadec-9-enamideHistidylleucineDihydrosafroleLamprolobine[(Iminiomethyl)amino]acetateSalmeterolPhenylacetylglutamine3-Acetamido-4-hydroxybenzoic acidCellopentaose8,14,23,28-Tetrahydroxy-6,21-dimethyloctacyclo[14.11.1.02,11.02,15.04,9.013,17.017,26.019,24]octacosa-4(9),5,7,19(24),20,22-hexaene-3,10,12,18,25,27-hexoneN-Acetyldopamine11-O-Demethyl-17-O-deacetylvindoline4'-Aminoacetanilide6,7-Dihydropteridine(-)-alpha-Pinene9H-Pyrido[3,4-B]indole3-(6'-Methylthio)hexylmalic acid1,4'-Bipiperidine-1'-carboxylic acid(2S)-4-Acetamido-2-ammoniobutanoateDtdp-4-dehydro-3-methyl-2,6-dideoxy-beta-L-glucose(3R,5R)-5-(Hydroxymethyl)oxolane-2,3,4-triolAll-trans-Nonaprenyl diphosphateMonensinN-Methylanthranilic acidD-MaltotrioseBenzyloxycarbonylarginyl-arginine 4-methylcoumarin-7-ylamide4-Methoxy-2,2'-bipyrrole-5-carboxaldehyde1,5-NaphthalenediamineR-Soterenol1-Kestose6-(1,2,3,4-Tetrahydro-6-methoxy-2-naphthyl)-2(1H)-pyridone(8R,9S,10R,13S,14S)-13-Methyl-1,2,3,6,7,8,9,10,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-3,17-diol(2S)-3-Hydroxy-2-[(3-hydroxypyridine-2-carbonyl)amino]butanoic acidbeta-L-Arabinofuranose2'-DeoxyisoguanosinePterin H B2FloralalbiflorinPicolinamide4-Methoxy-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acidDihexyl phthalate1,3-Di-(octadec-9Z-enoyl)-1-cyano-2-methylene-propane-1,3-diol3-(2-Azaniumylethyl)phenolateTaurohyocholate4-NitrosobiphenylCID 91860715L-beta-Phenylalanine(20R,22R)-20,22-DihydroxycholesterolGlutathione4b,8,8-Trimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydrophenanthrene-3,10-diolUfiprazoleCID 138449834-Methoxy-2-methylanilineN-(p-Nitrobenzyl)phthalimideN(2)-Succinyl-L-citrullineFexofenadine5-(4-Piperidyl)isoxazol-3-ol(2S)-2-Amino-3-(3-amino-4-hydroxy-5-nitrophenyl)propanoic acidtrans-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester[(2R,3S,4R,5S)-2,3,4,5,6-Pentahydroxyhexyl] dihydrogen phosphate9-Hydroxy-4-androstene-3,17-dionePromegestoneTuduranineMepivacaine4-Methyl-5-thiazoleethanolN,N-Diethyl-2-phenylacetamideCoroglaucigenin-3-o-alpha-L-rhamnopyranoside2-(Formylamino)benzoic acidOleamideIsotretinoin2-Piperidin-1-ylethyl hydrogen sulfate(8R,9S,10R,13S,14S)-4,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneKainic acid4-Hydrazinobenzaldehydealpha-D-Ribofuranose(-)-SabineneDesulphoglucobrassicin2'-Deoxyguanosine-5'-diphosphate1,2,3,4-Tetrahydronaphthalene7-Ketocholesterol(E)-1-(3,4-Dihydroxyphenyl)dec-1-ene-3,5-dioneMyrceneBenzocainebeta-D-Glcp-(1->2)-beta-D-Glcp-(1->2)-D-GlcpRibulose2-Amino-2-phenylacetic acidMelicopine2alpha,17-Dimethyl-19-nortestosterone(25R)-26-Hydroxycholest-4-en-3-one(1S,13R)-5,7-Dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-one3-(4-Methoxyphenyl)propanal(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolStigmasteroneTriamcinolone hexacetonideC12216(2S,3R,4S,5R,6R)-2-[[(2S,3S,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triolDistigmine3beta-Hydroxy-9beta-pimara-7,15-dien-19,6beta-olide4-HydroxyquinolineD-Limonene(4R,12Bs)-9-methoxy-3-methyl-1,2,4,6,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one6beta-Hydroxy-3-oxo-5beta-cholan-24-oic Acid3'-Adenylic acidRetinal1-Octadecanoyl-sn-glycero-3-phosphoethanolamine(1E,3R,8R,9R,10R,11S,14S)-14-(Hydroxymethyl)-3,10-dimethyl-6-propan-2-yltricyclo[9.3.0.03,7]tetradeca-1,6-diene-8,9-diolSophoranol2-Methyl-5-nitroanilineCuracin A5'-Deoxy-5'-methylthioadenosine12-Methylpregna-4,9(11)-diene-3,20-dione, (12alpha)-Isozeaxanthinalpha-Cyano-3-phenoxy-4-fluorobenzyl alcohol(1S)-4-[(1E,3E,5E,7E)-9-Hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-olIsatinic acid6-HydroxypseudooxynicotineCypripedinAdenosine monophosphateDyspropterinAniracetam5-Pyridoxic acid(8R,9S,13S,14S,16R,17R)-16-Methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol4,4-Dimethyl-5alpha-cholesta-8,14,24-trien-3beta-olButabarbitalOligomycin A(2S)-2-Azaniumyl-5-{2-[4-(hydroxymethyl)phenyl]hydrazino}-5-oxopentanoateIsomaltotriose(3S)-6-Acetamido-3-aminohexanoic acidCID 86219231Dichloroacetic acidStearidonic acidIsoficine(2-(Acetylamino)ethyl)phosphonic acidN-n-Butyl-N-methyl-11-(3,17beta-dihydroxyestra-1,3,5(10)-trien-7alpha-yl)undecanamide(2-Hydroxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate7alpha,26-Dihydroxy-5beta-cholestan-3-one11alpha-Hydroxy-12alpha-methyl-pregn-4-ene-3,20-dioneEcgonine(2S)-2-(Diacetylamino)-3-phenylpropanoic acid2-[Cyclohexanecarbonyl(1,2,3,4-tetrahydroisoquinolin-1-ylmethyl)amino]acetic acid3-Dehydrosphinganine4-(Acetyloxyamino)benzoic acidGlycidyl oleate(2R,3R,4S,5R,6R)-2-[(2S,3S,4R,5R)-4-Hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol17-Methyl-18-norandrosta-4,13(17)-dien-3-oneTorcitabineOripavineTetrandrineKinoprene[3-(3,4-Methylenedioxyphenyl)-2-(mercaptomethyl)-1-oxoprolyl]alanineSesamose8(R)-Hete(2S,3R,4S,5S,6R)-2-[2-[(2R,4As,6R,7R,8aR)-6,7-dihydroxy-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triolAbietic acidThiomorpholine-3-carboxylic acid17-[[3-(1-Pyrrolidinyl)propyl]imino]androst-5-en-3beta-ol acetate(3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrolAcetaminophen5-Dehydroavenasterol5,6-Ep-15S-HETEVentinone A3F-alpha-D-GalactosylraffinoseStreptothricin F4-Methyl-3-nitroanilineS-Methylglutathione(2S)-2-Azaniumyl-4-[(S)-methylsulfinyl]butanoate3-Methyl-5-nitroanilineDromostanolone tetrahydropyranyl ether3-(3,4-Dihydroxyphenyl)propionic acidN,N-Dimethyl-l-leucine(2R)-2-Hydroxy-3-(4-hydroxyphenyl)propanoic acidGuanine17,17-Dimethyl-18-norandrosta-4,13-dien-3-oneTestololactonecis-Dihomoaconitic acidEchinopsine(8S,9S,10R,13R,14S,17R)-17-[(2R)-7-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneC0856611alpha,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-onePhenmetrazine11-cis-3,4-Didehydroretinol(2R,8S,9S,10R,13S,14S,17S)-17-(2-Hydroxyacetyl)-2,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneCID 54157542C11747VasicineJusticidin B2-Amino-N-methylbenzamide5-Acetamidopentanoic acid2-Methoxy-5-methylanilineN,N-Dimethyl-L-ValineD-Homo-17a-oxa-5alpha-androstan-3beta-ol acetate6-Hydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one2-Oxo-3-(4-oxocyclohex-2-en-1-yl)propanoic acid3-Hydroxycholest-8-en-11-one3-Methoxy-8,9-methylenedioxy-3,4-dihydrophenanthridineGalanginN-(4,6-Diamino-2-oxo-1H-pyrimidin-5-yl)formamide1-(2-Aminophenyl)ethanolIndole-3-acrylic acidNaproanilideDazomet(3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-Trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrolVomilenine(2R,3R,4S,5R)-2-(6-Aminopurin-9-yl)-5-methanidyl-tetrahydrofuran-3,4-diol7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic AcidAgmatine phosphateFlamprop(2S,3S,4S,5R)-4-[(2S,3R,4S,5R,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,6-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acidStachyose11beta-Hydroxy-6alpha,11-dimethylprogesteroneFlavin adenine dinucleotideAquayamycin4-MethyltestosteroneGuanosine-3'-monophosphate(2S)-2-Azaniumyl-3-(1H-imidazol-5-yl)propanoateN-Hydroxy-2-phenylethanimine oxideErythratidinebeta-Alanyl-L-arginine(2-Hydroxy-3-phosphonooxypropyl) (11Z,14Z)-icosa-11,14-dienoate(3R)-3-Hydroxy-4-oxobutanoic acid(8Z,11Z,14Z)-5-Oxo-8,11,14-icosatrienoic acidWogonin2-Hydroxy-dAMP3-Methoxy-4-hydroxyphenylglycolaldehyde1,2-DimethylnaphthaleneLeucodopachromeo-Toluidine(2E,4E,6E,8E,10E,12E,14E)-4,9,13-Trimethyl-15-(2,6,6-trimethylcyclohexen-1-yl)pentadeca-2,4,6,8,10,12,14-heptaen-1-olAdenylosuccinic acid3-Methoxy-androsta-3,5-diene-7,17-dioneAspergillic acidMibolerone5-[(2S)-1-Methylpyrrolidin-2-yl]pyridin-2-ol(2S,3R,6S,8R,9R,10R,12S,13S,16S,22R,26R)-9,13-Dihydroxy-2,3,23,23,25,25-hexamethyl-8-prop-1-en-2-yl-7,11,24-trioxa-32-azanonacyclo[16.14.0.02,16.03,13.06,12.010,12.019,31.020,28.022,26]dotriaconta-1(18),19(31),20(28),29-tetraen-27-onegamma-ThujaplicinSecologanateDiethyl sulfide3(2H)-Isoxazolone, 4-(2-aminoethyl)-5-methyl-3-Ketosphingosine(4E,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoic acidD-Arabinopyranose(2Z)-6-Hydroxy-2-[(3-hydroxy-4-methoxyphenyl)methylidene]-1-benzofuran-3-one2-Morpholinoethanol(2R,4S,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol(8S,9S,10R,13R,14S,17R)-17-[(2R)-6-Hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one1-Hexadecanoyl-2-[(Z)-octadec-9-enoyl]-sn-glycerol 3-(2-aminoethylphosphonate)Coenzyme Q9BucharidineCoenzyme Q8(E)-beta-OcimenePhyscionCyclotetraglucoseOryzalexin A3-[(4R)-2-Iminoimidazolidin-4-yl]-L-alanineNodakeninValerianineN-(Tert-Butoxycarbonyl)-L-leucineTricycleneC109132-Hydroxy-5-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]benzaldehydeApocholic acid1-(4-Chlorophenyl)-4-oxo-5-propoxy-cinnoline-3-carboxylic acid9(S)-Heten-(5-Amino-2-methoxyphenyl)acetamideMorindone5-Aminopentyl hydrogen sulfate2-(S-Glutathionyl)acetyl glutathione(7R,8R,9S,10S,13S,14S)-7,10,13-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneL-PalmitoylcarnitinePseudobaptigeninPyrazosulfuron-ethyl4-(Azaniumylmethyl)-5-(hydroxymethyl)-2-methylpyridin-3-olate2'-Methyl-3'-nitro-5'-aminoacetoanilide3-Methyleneoxindole2,3-Bis-O-(geranylgeranyl)-sn-glycero-3-phospho-L-serine(2S)-2-Amino-8-[(2S)-oxiran-2-yl]-8-oxooctanoic acidN,N'-DiacetylbenzidineSarcolysin2-Amino-1-phenylethanolPhenylalanineRutamycin4-Hydroxy-2-oxobutanoic acid9H-Fluoren-2-amine, N-(acetyloxy)-Neomycin C2-Methoxyestradiol7alpha,12alpha-Dihydroxy-5alpha-cholestan-3-oneBenzenamine, N-(acetyloxy)-n-OleoylethanolamineSilandrinUracil7-Hydroxycholest-4-en-3-oneDihydro-beta-erythroidineIsohomovanillic acidTryptamine17beta-Hydroxy-5beta-estran-3-one(+)-Maackiain(5Z,8Z,11Z)-15-Oxoicosa-5,8,11-trienoic acid9-cis-RetinalMethyl L-tyrosinate2-NitrotolueneFlamprop-M3-HydroxystachydrineCytosine11-Ketotestosterone5-Methoxy-3-hydroxyanthranilateCarbapenem biosynthesis intermediate 519-Oxotestosterone4-Acetamido-2-amino-6-nitrotoluene8-Demethyl-8-(2,3,4-O-trimethyl-alpha-L-rhamnosyl)tetracenomycin CTuricine3-(2,4-Dihydroxyphenyl)propanoic acid4-PyridoxolactoneMaritinamine(2R,3R,4S,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-Dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolProansamitocin15alpha-Hydroxyandrost-4-ene-3,17-dione(8S,9S,10R,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one11-HydroxyandrostenedioneSaphenic acid methyl esterRugulosin(2S)-1-[(3S)-3-[[(3S)-3-Azaniumyl-3-carboxylatopropyl]azaniumyl]-3-carboxylatopropyl]azetidin-1-ium-2-carboxylatePseudooxynicotineFuberidazole4,5alpha-Dihydro-6beta-methyltestosterone propionate5alpha-Androstane-3,7,17-trione1,2-Benzenedicarboxylic acid, monopentyl esterGlycolyl-D-mannosamineMelagatran2,4-Dimethyl-1H-pyrrole-3-carboxylic AcidMethylazoxymethanolHomovanillic acidS-(Hydroxymethyl)mycothiol(Z)-7-[(1R,2E)-2-[(E)-Oct-2-enylidene]-3-oxocyclopentyl]hept-5-enoic acid(8R,9S,10R,13S,14S,17R)-17-Ethynyl-13-methyl-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-diolPilocarpidineEpinephrine 3-sulfateN-(3-Oxohexanoyl)-L-homoserine lactone(2R,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol2-{[2-Hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonio}ethanesulfonate20,21-Dihydroxycholesterol(Alphas,betaS)-alpha-Ethyl-alpha-(4-methoxyphenyl)-beta-phenyl-2-pyridineethanolMoxestrolLynestrenolGentamicin C2Metipranolol(3R)-11-cis-3-Hydroxyretinal6beta,19-Epoxy-17beta-hydroxyandrost-4-en-3-oneTerpendole F(1S,2S,8S)-2-Hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylic acid(2R,3S,4S,5S,7S,8R)-4,8-Diamino-N-[(2S)-1-amino-3-(carbamoylamino)-1-oxopropan-2-yl]-2,3,5,7,9-pentahydroxynonanamideAll-trans-4-hydroxyretinolN-(2,4,6-Trimethylphenyl)acetamide17-Hydroxy-19-nor-17alpha-pregn-5(10)-en-3-one2alpha-Methyl-5alpha-androstane-3,17-dione20-Hydroxyeicosatetraenoic acidFuranodiene(2Z)-6-Hydroxy-2-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-benzofuran-3-one1-(2-Amino-5-hydroxyphenyl)ethanoneDeoxypodophyllotoxinMicronomicinPhysovenineN-(3-Amino-4-methyl-5-nitrophenyl)hydroxylamine(8S,9S,10R,13S,14S)-17-Acetyl-10,13-dimethyl-2,6,7,8,9,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,11-dioneL-Ribulose3alpha,7alpha-Dihydroxy-5beta-cholestan-26-alPrazepam2-Hydroxy-acetoacetic acid1-Phenylethylamine(8S,9S,10R,11R,13S,14S)-11-Hydroxy-10,13-dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione2'-Amino-3'-hydroxyacetophenone2-Hydroxy-3-methylbutanenitrile(2S,3R)-CapreomycidineMelezitosePE(18:0/22:4(7Z,10Z,13Z,16Z))5-Deoxy-5-aminoshikimic acid(2S)-2-Azaniumyl-5-oxo-5-(2-sulfoethylamino)pentanoateMaackiain2-(2-Acetamidophenyl)-2-hydroxyacetic acidDesmethylcitalopram4-Hydroxyphenylacetylglycine(+)-alpha-Pinene(5R,8S,9S,10S,13S,14S)-10,13-Dimethyl-1,2,4,5,6,7,8,9,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,11,17-trione1-Methoxy-9H-carbazole-3-carboxylic acidC17962[(3Ar,4R,5E,9E,11aS)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-4-yl] acetate17-(Acetyloxy)-,(17beta)-estr-5(10)-en-3-onealpha-D-LyxopyranoseGlucovanillin(R)-Mandelamide1-Naphthylhydroxylamine(E)-3-(3-Hydroxy-5-methoxy-4-sulfooxyphenyl)prop-2-enoic acid(2E,4Z,6E,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)nona-2,4,6,8-tetraenoic acid[4-(5,7-Dihydroxy-4-oxochromen-3-yl)phenyl] hydrogen sulfateEdaravone1,3-Diphenylpropane7,8-Diaminononanoic acid2,4-Bis(hydroxyamino)anilineResolvin E2(Z)-3-(Carboxymethyl)hex-2-enedioic acidGlycogen3-Acetamido-5-hydroxybenzoic AcidLevoleucovorinXanthine(2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-Tetramethylhexadeca-2,4,6,8,10,12,14-heptaene-1,16-diolEchitovenine2-Hydroxy-1-[(3S,5S,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanoneN-Hydroxymethyl-N-methylformamideHellebrigenol(2R,3R,5R)-2-(6-Aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diolN,N'-Diphenyl-p-phenylenediamine(2R,4R,5R,6R)-6-[(1R)-2-Amino-1-hydroxyethyl]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4,5-dihydroxyoxane-2-carboxylic acidIsmine3,4-Didehydroretinoic acid2-(Hydroxymethyl)-2,3-dihydro-1H-inden-1-olTolazolineAra3-Hypbeta-D-delta(4)-GlcpA-(1->4)-beta-D-Glcp-(1->4)-alpha-L-Rhap-(1->3)-D-Glcp3alpha-HydroxynorethynodrelCyanthoateAldosteroneLeukotriene A4(4S,5S,10S,13R,14R,17R)-4,10,13-Trimethyl-17-[(2R)-6-methyl-5-methylideneheptan-2-yl]-1,2,4,5,6,7,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-oneGalangin 3-methyl etherDulcinPentanamideOxymatrineN-Ethylammelide3-Hydroxy-19-norpregna-1,3,5(10)-trien-20-oneIrbesartanAnabaseineProcainePipecolic acid betaineIsonicotinamideN-Formyl-norleucyl-leucyl-phenylalanyl-methylester16(R)-HeteMethyl (1R,10R,12R,19S)-12-ethyl-10-hydroxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,8,13-pentaene-10-carboxylateEsculentoside BNifurtimox4-Acetylamino-2-hydroxyamino-6-nitrotoluenealpha-Ethyl-alpha,beta-diphenyl-2-pyridineethanol4-Chlorobenzaldehyde16alpha-Hydroxyandrostenedione4-(Phenylhydrazinylidene)cyclohexan-1-oneLuffariellolideN-Cyclohexylformamide(8R,9R,10S,13S,14S)-17-Ethynyl-17-hydroxy-13-methyl-1,2,4,5,6,7,8,9,10,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-one2-Methyl-3-nitroanilineDtdp-4-acetamido-4,6-dideoxy-alpha-D-glucose3,5-Dioxooctanedioic acid(8R,9S,10S,13S,14S,17R)-10,13-Dimethylspiro[2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione5-Pyridoxolactone17-Hydroxyandrost-4-ene-3,11-dione(E)-3-[(5S,6R)-5,6-Dihydroxycyclohexa-1,3-dienyl]acrylic acidbeta-D-Apiose1-Nitro-7-hydroxy-8-glutathionyl-7,8-dihydronaphthalene(2R,3R,4S,5R)-2-(8-Hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-5-(hydroxymethyl)oxolane-3,4-diolPyridoxal phosphate7-(5-Phospho-alpha-D-ribosyl)adenine[(2R,3S,5R)-5-(6-Amino-2-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphatePregnanetriolSpiramine APrimulanin(1S,2S,5S,6R,8R,11R,12R,18S)-6,12-Dimethyl-17-oxa-14-azahexacyclo[10.6.3.15,8.01,11.02,8.014,18]docosan-7-one2'-HydroxydaidzeinOxyphencyclimineMethohexital(6S,8S,9S,10R,13S,14S,17S)-17-(2-Hydroxyacetyl)-6,10,13-trimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one4-(4-Hydroxyphenyl)-2-butanoneN-IsovaleroylglycineRiboflavinbeta-D-Lyxose19-Nor-dihydrotestosteronebeta-Alanine betaine(6S,8R,9S,10R,13S,14S)-3-Hydroxy-6,10,13-trimethyl-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one17beta-Methylestra-1,3,5(10)-trien-3-olPalmidrolN-Hydroxy-2-naphthylamineN-[4-(2-Acetamidophenyl)phenyl]acetamide2-Hydroxy-2-methylbutanenitrile5-Amino-6-(5-phospho-beta-D-ribosylamino)uracil2-[(2-Formylbenzoyl)amino]acetic acid2,6-DimethylanilineSabinenealpha-TerpineneQuinoline[1-Hexadecanoyloxy-3-[hydroxy-(2,3,4,5,6-pentahydroxycyclohexyl)oxyphosphoryl]oxypropan-2-yl] (Z)-octadec-9-enoate(9S,10R,13R,14R,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,4,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R,6S)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol[(4S,6S,7R,8R)-7,13-Dihydroxy-12-methyl-10,11-dioxo-2,5-diazatetracyclo[7.4.0.02,7.04,6]trideca-1(9),12-dien-8-yl]methyl carbamateIslandicin17beta-Hydroxy-17-methylandrosta-4,9(11)-dien-3-onep-Toluidinealpha-(p-Methoxyphenyl)-4-pyridineacrylic acidN-Glycoloyl-D-mannosaminolactoneCellohexaose5-Hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acidN-[4-Amino-3-(trifluoromethyl)phenyl]-2-methylpropanamideN-[2-(4-Aminophenyl)ethyl]acetamide1,4-Dihydroxy-2-methylanthraquinone3-[(2Z)-2-[[5-[(Z)-[4,5-Bis(ethenyl)-3-methylpyrrol-2-ylidene]methyl]-3-(2-carboxyethyl)-4-methyl-1H-pyrrol-2-yl]methylidene]-5-[(Z)-(3-ethenyl-4-methylpyrrol-2-ylidene)methyl]-4-methylpyrrol-3-yl]propanoic acid17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehydeN-(3-Oxohexanoyl)homoserine lactone5-Aminoimidazole ribonucleotide1-O-(1Z-Tetradecenyl)-2-(9Z-octadecenoyl)-sn-glycerolCyclic pyranopterin monophosphateLucidulineN-(2,6-Dimethylphenyl)acetamidebeta-D-Ribofuranosebeta-Estradiol 17-acetate3,7,4'-TrihydroxyflavoneN-Methylaniline19-Norpregnane-3,20-dione, (5alpha)-Atisine(7R,8R,9S,10S,13R,14S,17R)-7-Hydroxy-17-[(2R)-5-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one(2R,3R,4S,5R)-2-(6-Aminopurin-7-yl)-5-(hydroxymethyl)oxolane-3,4-diolCorytuberine(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol(-)-MesembrineD-Lyxulose3-Hydroxy-5-methoxy-4-sulfooxybenzoic acid(5S)-5-Acetamido-1-aminopentane-1,2,5-tricarboxylic acid4-Pyridoxic acidL-Isoleucine, N,N-dimethyl-alpha-d-Xylopyranose19-HydroxytabersoninePetasinN-(5-Amino-2-methylphenyl)acetamideN-Tert-Butyloxycarbonyl-deacetyl-leupeptin1-PalmitoylphosphatidylcholineD-HomotestosteroneCytochalasin BSalutaridine5-Methyl-1H-pyrrole-2-carboxylic acid1-alpha-D-Galactosyl-sn-glycerol 3-phosphatealpha-Pinene2'-HydroxyformononetinBiliverdin(1R,2R,3S,5R)-2-Acetamido-7-(1,2-dihydroxyethyl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octane-5-carboxylic acidN,N-Dimethylsphingosine2-(1H-Indol-2-yl)ethanamineCID 918465424-(1-Aminoethyl)phenolSulfamethazine(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol2,4,4-Trimethyl-3-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-(2,2,6-trimethyl-5-oxocyclohexyl)octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohexan-1-oneCyproconazole(1R,13S)-5,7-Dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-15-oneSemustine(4R,5R,6R)-6-[(1R)-2-Amino-1-hydroxyethyl]-2,4,5-trihydroxyoxane-2-carboxylic acidImidazole-4-acetaldehyde(Z,6S)-6-Amino-4-[(E)-2-hydroxyethenyl]-2-oxohept-3-enedioic acidbeta-D-Mannopyranosyl-(1->2)-beta-D-mannopyranosyl-(1->2)-D-mannopyranose(2R)-2-Azaniumyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoatePhenethylamine3-IndoleacetonitrilePaspaline Bgamma-GlutamylglutamateVitamin A27alpha,25-Dihydroxycholesterol(E)-1-Methoxy-4-[2-(4-nitrophenyl)ethenyl]benzene(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triolbeta-Phellandrene3,4,5-Trihydroxy-6-[4-(hydroxymethyl)-2-methylphenoxy]oxane-2-carboxylic acid(3beta,24R,24'R)-Fucosterol epoxideAflatoxin B2Baicalein1-NaphthylamineTestosterone propionate2'-Deoxyguanosine 5'-monophosphateVernodalinSpheroidenone4-NitrotolueneActinidine19-Norprogesterone(4E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2,6,10,14,19,23-Hexamethyl-25-(2,6,6-trimethylcyclohexen-1-yl)pentacosa-4,6,8,10,12,14,16,18,20,22,24-undecaene-2,3-diolCyclo(L-leucyl-L-leucyl)Indole-5,6-quinone1,1,2-Triphenylpropane2-NaphthylamineTaurocholic acid17beta-Hydroxy-5alpha-androst-1-en-3-one propionate[(1S,5R)-9-Methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-yl] (2S)-3-hydroxy-2-phenylpropanoate(2S)-4-(2-Aminophenyl)-2-azaniumyl-4-oxobutanoate4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone1,8-DimethylnaphthaleneAc-Asp-Glu-GluAcetylcaraninePropionylcarnitine9,11-Epoxy-17-hydroxy-17-methylandrost-4-en-3-one, (9beta,11beta,17beta)-Dioctyl phthalateTestosterone isocaproate(S)-ScoulerineC084353,4,5-Trihydroxy-6-(2-hydroxy-2-phenylethoxy)oxane-2-carboxylic acidTolmetin9-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(dimethylamino)-3H-purin-2-oneZearalenone(1E,2S)-2-Methylbutanal oximeN-(2-Methoxyphenyl)hydroxylamine5alpha-Cholesta-8,24-dien-3-oneIsomigrastatinD-Xylulose(2S)-6-[[(2R,3R)-3-Methyl-2-amino-5-oxopentanoyl]amino]-2-aminohexanoic acid(+)-alpha-Phellandrene4-Carboxy-4'-sulfoazobenzene3-Dimethylallyl-4-hydroxymandelic acidN-Benzoyl-4-methoxyanthranilic acid11beta,17beta-Dihydroxy-17alpha-methylandrosta-1,4-dien-3-oneO(6)-Methyl-2'-deoxyguanosine2-(4-Methoxybenzamido)acetic acidStachydrine16-Propyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diolZidovudinePregnenolone acetateAlitretinoin1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide3-GuanidinopropanoatePropamocarbCinobufagin3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl]-5-methoxy-2-methylcyclohexa-2,5-diene-1,4-diolBruceine C2-Hydroxy-3,4-dihydro-2H-1,4-benzoxazin-3-one(5S,8R,9S,10S,13S,14S,17S)-17-Hydroxy-2-(hydroxymethyl)-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one6-Acetylmorphine(24S)-Cholest-5-ene-3beta,7alpha,24-triol3-(4-Hydroxy-3,5-dimethoxyphenyl)propanalAcetamide, N-(5-hydroxy-9H-fluoren-2-YL)-All-trans-18-Hydroxyretinoic acidEthyl 3-aminobenzoate1-Aci-nitro-2-(1H-indol-3-yl)ethaneObamegine(1R,9S,10S)-3-Hydroxy-4,12-dimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-13-oneCholesterol acetate4-Azido-N-(2-hydroxyethyl)benzamide(R)-Dihydrocamalexic acidHexadecasphinganineEugenolCoformycin2-Hydroxyacenaphthylen-1(2H)-oneIsopimaric acidStealthin C1,6-DimethylnaphthaleneArginine, ethyl esterEglinazine1-Palmitoyl-2-oleoylglycerolMethyl 12-hydroxy-9-octadecenoateAmylopectin19-Nordeoxycorticosterone7alpha,12alpha-Dihydroxy-5beta-cholestan-3-oneD-(+)-CellopentaoseVincristine4-Acetamidosalicylic acidBenzenamine, N-hydroxy-4-methoxy-2-Hydroxychrysophanol(25S)-26-Hydroxycholest-4-en-3-one3-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-olCellulase(6S,8R,9S,10S,13S,14S)-6,10,13-Trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthrene-3,17-dione5-(3-Pyridyl)-2-hydroxytetrahydrofuran17-Methylandrost-5-ene-3beta,11beta,17beta-triolBoldine4-Hydroxysulfadiazine3beta-(Acetyloxy)-5alpha-androst-16-ene-16-carboxaldehyde1-[(8S,9R,10S,11S,13S,14S,16S,17R)-9-Fluoro-3,11,17-trihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthren-17-yl]-2-hydroxyethanoneN-Ethylmaleimidecis-1,3,4,6,7,11b-Hexahydro-9-methoxy-2H-benzo[a]quinolizine-3-carboxylic acid ethyl ester5-Hydroxy-2-[3-(4-hydroxyphenyl)propionylamino]benzoic acidGentianosePrunetin16,17-Didehydro-11-oxoprogesteroneMurrayanineN-CarbobenzyloxyglycineD-XyloseCamphenePiperacillinSuavedolN,N-Diethyl-3-methylbenzamide3-Methoxy-5,10-seco-5,19-cycloandrosta-1(10),2,4-trien-17-one(5Z,7E,9E,14Z,17Z)-Eicosapentaenoic acid2-Hydroxy-1-[(3S,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone19-Hydroxyandrost-5-ene-3,17-dionePentostatin(3S)-2-[(2S)-2-[[(2S)-1-Ethoxy-1-oxo-4-phenylbutan-2-yl]azaniumyl]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylateOtonecinePhenethyl acetate19-Hydroxyandrost-4-ene-3,17-dioneDopaquinoneElephantopin3-Hydroxyaminophenol(3S)-11-cis-3-Hydroxyretinal3-(4-Methoxyphenyl)-2-propen-1-ol1-(Hydroxymethyl)-1,2-ethanediyl bis[(9Z,12Z,15Z)-9,12,15-octadecatrienoate](2S)-2-Ammonio-5-(N'-methylcarbamimidamido)pentanoateObtusifolinDiisopropyl fluorophosphateN-[3-Amino-5-(hydroxyamino)-2-methylphenyl]hydroxylamineTetracaineGlu-glu2-Amino-4-hydroxy-4-phenylbutanoic acid1,8-Diazacyclotetradecane-2,9-dione1,3-alpha-D-Mannosyl-1,2-alpha-D-mannosyl-1,2-alpha-D-mannosyl-D-mannoseBucharaineGlycidyl stearate2-Amino-5-[[3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid2,6-DimethylnaphthaleneCularimineAnhydroglycinolDimefuronHeterodendrin2H-Purin-2-one, 1,3-dihydro-6-[(3-methyl-2-buten-1-yl)amino]-(8R,9S,10R,13S,14S)-17-Ethynyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one8-Hydroxyquinoline(2S)-2-Acetamido-6-hydroxyhexanoic acid4-Nitrostilbene(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6S)-3-Hydroxy-2-(hydroxymethyl)-6-[(2R,3R,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol17-Methylandrosta-4,6-diene-3beta,17beta-diol 3-acetateAflatoxin R04,5-Dimethyl-6-nitro-N1-(pentan-3-yl)benzene-1,2-diamineAdenosine-3'-5'-diphosphateFluperlapineVinburnineMilitarinone A1-Methyl-6-(1,2,3,4-tetrahydro-6-hydroxy-2-naphthyl)-2(1H)-pyridoneFormoterolPropranolol(S)-(-)-2-Hydroxy-3-methylbutanenitrile3-[(2Z)-2-[[3-(2-Carboxyethyl)-5-[(Z)-[(5Z)-4-ethenyl-5-[(4-ethenyl-3-methyl-5-oxopyrrol-2-yl)methylidene]-3-methylpyrrol-2-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]methylidene]-4-methyl-5-oxopyrrol-3-yl]propanoic acid2alpha-Methylcortisol acetateFluocortinCinerin II[Hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,4S,6S)-4-methoxy-6-methyl-5-oxooxan-2-yl] hydrogen phosphate12-HydroxydihydrochelirubineN-(3-Aminophenyl)acetamideFumitremorgin B1-Methylpiperidine-3-carboxylic Acid3alpha,12alpha-Dihydroxy-5beta-pregnan-20-one(3R,4S,5S,6R)-6-[[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol(2S)-2-Azaniumyl-3-[4-[bis(2-chloroethyl)amino]phenyl]propanoate(E,2S)-2-Aminooctadec-4-ene-1,3-diolSepiapterinSuccinic acid2,5-DimethylanilineCrotonic acid betaineCassyfilineLinamarinPurpurin 1-methyl ether[(3R,4R)-4-[Hydroxy(phenyl)methyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] acetateDinoterb(3R)-All-trans-3-hydroxyretinal(1R,2R,9S,10S)-7,15-Diazatetracyclo[7.7.1.02,7.010,15]heptadec-5-en-4-one1-[(8R,9S,10R,13S,14S,17R)-3,17-Dihydroxy-6,10,13-trimethyl-1,2,3,8,9,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl]ethanoneScorpioidin(E,5E,7S)-7-Amino-5-(hydroxymethylene)-2-oxo-oct-3-enedioic acidN,N-Dimethylaniline5,6-Dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one3'-Methoxydaidzein2-Azaniumylethyl (3-hexadecanoyloxy-2-hydroxypropyl) phosphateN-[3-(2-Formamido-5-methoxyphenyl)-3-hydroxypropyl]acetamideIsoguanosine 5'-monophosphate5alpha-Androstane-3,11,17-trione(1S)-4-[(1E,3E,5Z,7E)-9-Hydroxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-3,5,5-trimethylcyclohex-3-en-1-olN6,N6,N6-Trimethyl-L-lysine(10R,11R,17E,19E,21S)-21-Hydroxy-11,19-dimethyl-10-propan-2-yl-9,26-dioxa-3,15,28-triazatricyclo[23.2.1.03,7]octacosa-1(27),6,17,19,25(28)-pentaene-2,8,14,23-tetroneN-Glycolyl-D-glucosamine4-Oxoretinoic acidAflatrem3beta,13-Dihydroxy-16-(hydroxymethylene)-13,17-seco-5alpha-androstan-17-oic acid, delta-lactone(R)-2-Amino-1-phenylethanolN-[(4-Chlorophenyl)methyl]-N-ethyl-2-pyridinamineMallogenin-3-o-alpha-L-rhamnopyranosidegamma-ButyrobetaineNaloxoneMelanninBoc-Asn-ONpCocaine24,25-Epoxy-cholesterolVeatchineD-PhenylalaninePisiferic acid(2S)-2-(3-Carboxypropanamido)-6-oxoheptanedioic acidDimethyl oxalateD-HistidineN-Methyl-2,3,7,8-tetramethoxybenzophenanthridine-6(5H)-oneR.g.-Keto I(7R,8R,9S,10R,13S,14S)-7,10,13-Trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione4-[(5R,6R,9S,13S)-1-Oxido-7-aza-1-azoniatricyclo[7.3.1.05,13]tridecan-6-yl]butanoic acid(2R,4S)-2-[(R)-Carboxy-[(2-phenoxyacetyl)amino]methyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid4'-Dimethylaminoacetanilide(8S,9S,10R,13S,14S)-3-Hydroxy-10,13-dimethyl-2,3,6,7,8,9,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-11,17-dioneAnserineN-Methyl-L-histidine(1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E)-13-Hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-olKresoxim-Methyl3-MethylhistidineAethusin7,25-DihydroxycholesterolCamoensineMacronecine(1Z,2S)-2-Methylbutanal oxime3-Amino-4,7-dihydroxy-8-methylcoumarin3-Hydroxy-N-acetylanthranilic acidSpiromesifen16-Butyl-3-methoxy-estra-1,3,5(10)-triene-16beta,17beta-diol4-(beta-D-Ribofuranosyl)aminobenzene 5'-phosphateGarryineAntipyrine(2S)-Amino[(4R,6S)-2-amino-6-hydroxy-3,4,5,6-tetrahydropyrimidin-4-yl]ethanoic acidTetrahydrodeoxycorticosterone2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid(2S,3R)-2-Amino-3-[(5S)-2-amino-4,5-dihydro-1H-imidazol-5-yl]-3-hydroxypropanoic acidSulfuretinD-Gal alpha 1->6D-Gal alpha 1->6D-GlucoseN-(3-Amino-4-methoxyphenyl)acetamideSyn-Stemoden-19-oateNicotyrineAnacardic acidDtdp-3-acetamido-3,6-dideoxy-alpha-D-galactopyranose(8S,9S,13R,14S,16S)-3-Methoxy-13,16-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthreneApigeninS-Glutathionyl-L-cysteine[4-[(4-Hydroxyphenyl)methyl]phenyl] hydrogen sulfateHydroxyspirilloxanthin(2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triolDtdp-4-oxo-5-C-methyl-L-rhamnose7-Epiloganic acidN-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-Amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]hexadecanamide17-Methyl-18,19-dinorpregna-4,13-dien-3-one,(17alpha)-12alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid(9S,10R,13R,14S,17R)-10,13-Dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-7-one4alpha-Methyl-5alpha-ergosta-8,14,24(28)-trien-3beta-ol(E)-3-(3,4-Dioxocyclohexyl)prop-2-enoic acidSalinomycinIsopropalin2-Acetamido-3-hydroxy-4-methyl-benzoic acid(-)-beta-Pinene14-Hydroxyandrost-4-ene-3,17-dioneAziprotryneMusk ambretteRiboflavin cyclic-4',5'-phosphate3,4,5-Trihydroxy-6-(7-hydroxy-2-oxochromen-6-yl)oxyoxane-2-carboxylic acid5-Azaniumylcyclohexa-1,3-diene-1-carboxylate6beta-MethyltestosteroneAspidoalbine(1R,10R,12S)-4-Methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-triene-5,12-diolN-MethylmyosmineCucumopinePalustric acid(R)-2-Methylimino-1-phenylpropan-1-olCID 91861396(6S,8S,9R,10S,11S,13S,14S,17R)-9-Fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-oneD-AlanineIndole-3-acetamide(4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-4,6,8-trienoic acidMethylmalonic acid(1S,6R,10R,14S,15S,17S,18S,19S)-19-Benzyl-6,15-dihydroxy-10,17-dimethyl-16-methylidene-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12-diene-3,21-dione3-Hydroxy-3-(4-hydroxyphenyl)propanoic acidD-Mannitol 1-phosphate17Abeta-Hydroxy-D-homoandrost-4-en-3-one propionateAnnotine(3Z)-3-[(2E)-2-[(1R,3As,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-one2-(4-Methoxyphenyl)-3-pyridin-4-ylpropanoic acid2-[(2-Hydroxy-3-methylbenzoyl)amino]acetic acidN,N-DimethylarginineKazinol A12alpha-Hydroxy-3-oxo-5alpha-cholan-24-oic AcidCoixenolide6,8-Di-DMA-chrysin2-(6'-Methylthio)hexylmalic acid(3R)-3-[(3-Methylbutanoyl)oxy]-4-(trimethylazaniumyl)butanoate4,5-Dihydro-5alpha-11beta-hydroxy-17-methyltestosteroneCarboxinC18705Estra-1,3,5(10)-triene-3,6alpha,17beta-triol triacetate11-cis-RetinalTrifloxystrobin acid2,6-Dimethylhexestrol7-EthoxyresorufinLimoneneOxypurinolN(6)-[(Indol-3-yl)acetyl]-L-lysine(s)-3-Amino-3-phenylpropanoic acidGenkwaninN-Furfurylformamide2-[4-Amino-2-(2-hydroxyethoxy)anilino]ethanol(2S)-6-Amino-2-[[(4R)-4-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]hexanoic acid4-[[(2S)-2-Amino-2-carboxyethyl]amino]-4-oxobutanoic acidN-(2,6-Diethylphenyl)acetamideRaffinose2-[[2-(Methylamino)benzoyl]amino]acetic acid5-Oxo-ETEAdenosine-2'-monophosphate11-cis-Retinoic acid1,2-Dihydro DexamethasoneN-(2-Oxoethyl)hexadecanamide(2S)-Azaniumyl(3,5-dihydroxyphenyl)acetateAloe-emodin1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine(2S)-2-Azaniumyl-3-[(1R,2S,5R,6S)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-2-yl]propanoateLoganic acidSalicyluric acid2-HydroxydibenzofuranAcrophylline(2S)-2-[[(2S)-3-[[(E)-4-Amino-4-oxobut-2-enoyl]amino]-2-azaniumylpropanoyl]amino]-3-methylbutanoate1-Piperidineacetaldehyde(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-Dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-oneAnisomycinTexasinAmylotetraoseDtdp-4-acetamido-4,6-dideoxy-alpha-D-galactoseTaxodone(1R,3R)-3,7,11,11,14-Pentamethyl-16-oxatricyclo[11.2.1.01,5]hexadeca-4,13-diene-8,15-dioneIsatinN-(2-Phenylethyl)acetamide1-Nitro-5-hydroxy-6-glutathionyl-5,6-dihydronaphthaleneDaidzeinLucidin4-Acetylamino-2-hydroxylaminotolueneprojections, first cervical vertebra, atlas, ird4, ion, Tb11, experimental, NF-kappaB, lamellae, relish, Metabonomic, secondary metabolites, Metabonomics, Profiles, Spectrum Analyses, broad, Aging, xrel, process of organ, Xrel2, protrusion, FBXW4, lamella, Personal, primary metabolites, reduced, resilient, C-Rel, Biological, tough, Mass, Analysis, tiny, violaxanthin-capsorubin isomerase (ketone-forming) activity, Documents, Metabolomic, cervical atlas, Metabolic Profile, Mass Spectroscopy, CG11992, Metabolic Profiles, Mass Spectrum Analysis, strong, Senescence, study, capsanthin-capsorubin synthase activity, methods, Analyses, Metabolomes, iones, experimental section, EBI, Ebi, Profile, C1, Records as Topics, hypoplasia, ridges, v-rel, ions, ird, study assay, Travel Documents, DmelCG4063, Biological Aging, vertebra 1, scientific observation, papilla, TBL1, Tbl1, house mouse, rel-A, REL, laminae, atlas vertebra, atlas [C I], small, measuring, anatomical protrusion, c-Rel, wide/broad, l(3)neo36, anatomical process, Arts, lamina, mouse, flanges, Personal Identification Systems, tough., SMAP55, rel, Rel-p110, Spectrum Analysis, Spectroscopy, any method, ketoxanthophyll synthase activity, c-rel, Ionen, Mus, shelf, Mass Spectrum Analyses, flange, organ process, NFkappaB, Mass Spectrum, Industrial, Industrial Arts, CG4063, DmelCG11992, cervical vertebra 1, Metabolic, underdeveloped, mice, shelves, Spectrometry, metabolite, Records as Topic, RELI, Record, projection, ridge, E-2f, E-2g, l(2)k16213, Atlases, experimental procedures, processes, process, wide, Ion, Identification Systems, spine, metabolites, Personal Identification System, Travel, CCS, processus, atlas (CI), Mouse, Rel/NF-kappaB, C1 vertebraSenescence, first cervical vertebra, atlas, atlas [C I]., ion, cervical vertebra 1, mice, iones, C1, mouse, secondary metabolites, metabolite, Aging, ions, Atlases, Biological Aging, primary metabolites, vertebra 1, Ionen, Ion, Mus, Biological, metabolites, Mouse, atlas (CI), house mouse, cervical atlas, atlas vertebra, C1 vertebra00.00.00.00.00.0falseUnknown Metabolite Annotation in Mouse Aging using Ion Mobility Collision Cross-Section Atlas (AllCCS)<p>The metabolome includes not just known but also unknown metabolites; however, metabolite annotation remains the bottleneck in untargeted metabolomics. Ion mobility – mass spectrometry (IM-MS) has emerged as a promising technology by providing multi-dimensional characterizations of metabolites. Here, we curated an ion mobility CCS atlas, namely AllCCS, and developed an integrated strategy for metabolite annotation using known or unknown chemical structures. The AllCCS atlas covers vast chemical structures with >5000 experimental CCS records and ~12 million calculated CCS values for >1.6 million small molecules. We demonstrated the high accuracy and wide applicability of AllCCS with medium relative errors of 0.5-2% for a broad spectrum of small molecules. AllCCS combined with in-silico MS/MS spectra facilitated multi-dimensional match and substantially improved the accuracy and coverage of both known and unknown metabolite annotation from biological samples. Together, AllCCS is a versatile resource that enables confident metabolite annotation, revealing comprehensive chemical and metabolic insights towards biological processes.</p><p><br></p><p><strong>Unknown Metabolite Annotation in Mouse Aging assay</strong> is reported in the current study <a href='https://www.ebi.ac.uk/metabolights/MTBLS1622' rel='noopener noreferrer' target='_blank'><strong>MTBLS1622</strong></a>.</p><p><strong>Known Metabolite Annotation in Different Biological Samples assays</strong> are reported in <a href='https://www.ebi.ac.uk/metabolights/MTBLS1693' rel='noopener noreferrer' target='_blank'><strong>MTBLS1693</strong></a>.</p>2020-07-282020-04-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