For metabolite identification, the accurate mass of each peak (mass error < 10 ppm) was matched with the Human Metabolome Database (HMDB), Metlin, and KEGG databases; the MS/MS fragmentation patterns were further compared with the database spectra to confirm the structure of metabolites. Only metabolites with a matching score ≥80 and a false discovery rate (FDR) < 0.05 were considered reliably identified.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - alternating - reverse-phase"],"chromatography_protocol":["The chromatographic separation was performed using a Thermo Scientific UltiMate 3000 HPLC system (Parameter Value[Chromatography Instrument]: Thermo Scientific UltiMate 3000 HPLC) equipped with an autosampler (Parameter Value[Autosampler model]: Thermo Scientific UltiMate 3000 Autosampler). A Waters ACQUITY UPLC HSS T3 column (Parameter Value[Column model]: Waters ACQUITY UPLC HSS T3, 100 mm × 2.1 mm, 1.8 μm) was used for metabolite separation, which is suitable for non-targeted metabolomics due to its excellent separation performance for polar and non-polar metabolites. A matching guard column (Parameter Value[Guard column]: Waters ACQUITY UPLC HSS T3 Guard Column, 20 mm × 2.1 mm, 1.8 μm) was installed to protect the analytical column and improve detection stability.
"],"publication":["Mechanistic profiling of Bifemetstrobin against the tea anthracnose pathogen and candidate evaluation of an amine oxidase target."],"submitter_affiliation":["Guizhou University"],"submitter_name":["xinpeng zhang"],"organism_part":["mycelium"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["For metabolite extraction, the fungal samples were rapidly frozen in liquid nitrogen to quench metabolic activity, ground into fine powder, and extracted with a mixture of methanol:water (4:1, v/v) under ice bath conditions; the extract was centrifuged at 12,000 rpm for 15 min at 4°C, and the supernatant was filtered through a 0.22 μm organic membrane for subsequent LC-MS analysis.
"],"organism":["Glomerella cingulata"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13992"],"author":["Xinpeng Zhang. Guizhou University. zhangxinpeng175@163.com."],"data_transformation_protocol":["Raw LC-MS data were processed using PeakView 2.2 software (SCIEX) for peak extraction, peak alignment, deconvolution, and normalization to obtain a matrix of metabolite peaks with retention time, m/z value, and peak intensity. The processed data were then subjected to multivariate statistical analysis (including principal component analysis (PCA) and partial least squares discriminant analysis (PLS-DA)) to screen for differential metabolites between the EC30 treatment group and the CK group.
"],"study_factor":["Treatment"],"submitter_email":["zhangxinpeng175@163.com"],"sample_collection_protocol":["Samples were collected from mycelia of Glomerella cingulata treated with bifemetstrobin at EC30 dose for 24 hours, with 6 biological replicates in the treatment group (EC30) and 6 biological replicates in the control group (CK)
"],"omics_type":["Metabolomics"],"study_design":["antifungal","bifemetstrobin","Glomerella cingulata peptide"],"curator_keywords":["antifungal","bifemetstrobin","Glomerella cingulata peptide"],"mass_spectrometry_protocol":["Metabolite detection was carried out using a TripleTOF 6600+ high-resolution tandem quadrupole-time-of-flight mass spectrometer (SCIEX, Massachusetts, USA) coupled with the HPLC system. The key mass spectrometry parameters were set as follows: Parameter Value[Instrument]: SCIEX TripleTOF 6600+; Parameter Value[Scan m/z range]: 50-1500 m/z; Parameter Value[Ion source]: Electrospray Ionization (ESI); Parameter Value[Mass analyzer]: Quadrupole-Time of Flight (Q-TOF).
"],"metabolite_name":["Sesartemin","Carboprost Tromethamine","Dacarbazine","gamma-Aminobutyric acid","Guaiacol","Ectoine","Octadeca-2,4-dienoic acid","Methyl nicotinate","PA(20:4(5Z,8Z,11Z,14Z)-OH(20)/10:0)","Heliannuol C","Ketoleucine","Reserpine","Flufenacet","(2S,3R,4R)-2-Amino-3,4-dihydroxy-2-(hydroxymethyl)-14-oxoicos-6-enoic acid","Propoxyphene","2,6-Dimethoxyphenol","5-Methylnonanoylcarnitine","Phenylalanylproline","2-Ethyl-1-hexanol sulfate","3-ethylphenyl Sulfate","Inuline","N-Arachidonoyl Cysteine","Guanosine 2'-monophosphate","2,3-Dihydroflavon-3-ol","4-Hydroxybenzaldehyde","4-Methylcoumarin","(R)-Rhazinilam","Cyclohexylamine","PC(P-18:1(11Z)/15:0)","Bafetinib","9-Hpode","Eliglustat","PA(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,17Z))","2'-C-Methylguanosine","6-Methylquinoline","[7]-Paradol","2-Hydroxy-6-tridecylbenzoic acid","Dodeca-2,5,8-trienoylcarnitine","2,6-Diisopropylnaphthalene","LysoPC(14:0/0:0)","4-(1,1,3,3-Tetramethylbutyl)-phenol","SM(d17:1/PGJ2)","Entospletinib","PC(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/2:0)","L-Glyceric acid","N-Methyl-L-proline","N-Acetylneuraminic acid","Acifluorfen","Arterolane","Glyceollin IV","Pantothenic acid","Heteroflavanone A","1,7-bis-(4-Hydroxy-3-methoxyphenyl)-heptane-3,5-diol","Heteroflavanone C","Vindoline","Nookatone","Glyceraldehyde","Isolinderanolide","2,6-Dimethoxy-4-(1-propenyl)phenol","1-Hydroxyanthraquinone","(2S,2'S)-Pyrosaccharopine","all-trans-Hexaprenyl diphosphate","Ponticaepoxide","Amitrole","PGP(i-12:0/i-24:0)","DG(18:3n6/0:0/18:4n3)","2,3,4-Trichlorophenol","Octaethylene glycol","2,2,4,4,-Tetramethyl-6-(1-oxopropyl)-1,3,5-cyclohexanetrione","Aminoadipic acid","Cer(d18:1/LTE4)","L-3-Cyanoalanine","4-Methoxybenzaldehyde","1-(2-Furyl)butan-3-one","Alprazolam","O-Demethylmetoprolol","Oxidized glutathione","LysoPC(16:1/0:0)","tricoumaroyl spermidine","Prenylamine","Isovalerylcarnitine","SM(d16:2(4E,8Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","SM(d18:0/20:3(8Z,11Z,14Z)-2OH(5,6))","Isocitric acid","Cubebinin","Muzanzagenin","Dihydroisorhamnetin","cis-Vitamin K1","Furanone A","Phenylalanylglycine","L-Carnitine","Venlafaxine","13-OxoODE","4-Fluorobenzoic acid","Methazolamide","Lidoflazine","hept-3-enedioic acid","Adenosine","PC(16:0/18:1(9Z))","Pregn-4-en-20-yn-3-one, 17-hydroxy-2-(hydroxymethyl)-, (2alpha,17alpha)-","Dihydroactinidiolide","(9Z,11E,13Z)-octadeca-9,11,13-trienoic acid","9-OxoODE","N-Stearoyl Asparagine","2,4-Hexadien-1-ol","Methyl [6]-paradol","PA(18:3(6Z,9Z,12Z)/18:3(6Z,9Z,12Z))","Cloxazolam, (R)-","Pro-Ile","2-hydroxymethylolanzapine","SM(d18:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))","Linoleic acid","PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/18:3(6Z,9Z,12Z))","Occidentoside","3-hydroxyicos-11-enoic acid","Retusin","Fructosyl-lysine","5-ethyl-5-methyl-2,4-oxazolidinedione","6-Decanolide","N-[1-[4-[(4-Pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]cyclopropyl]acetamide","4alpha-Phorbol","Succinaldehyde","3-Methylthiofentanyl","Alanyltryptophan","Uridine diphosphate glucose","Arginylphenylalanine","PC(24:1(15Z)/6 keto-PGF1alpha)","1,3,5-Trioxane","Emeriamine","Pivmecillinam","Mizolastine","Gibberellin A9","Caudatin","(¡À)-2-Hydroxy-4-(methylthio)butanoic acid","alpha-Ionene","9,12,13-TriHOME","N-Undecanoylglycine","N-Benzoyl-3-phenylisoserine methyl ester","8-Hydroxycarvedilol","Lysine","trans-Cinnamic acid","N(omega)-Hydroxyarginine","(9E,12Z)-10-Nitrooctadeca-9,12-dienoylcarnitine","Selpercatinib","Simulansamide","Alanylhistidine","N-Lauroyl Leucine","(9R,10S,12Z)-9,10-Dihydroxy-8-oxo-12-octadecenoic acid","Ret-P-man","PC(14:0/20:0)","Quinmerac","1-Methylnicotinamide","1-Isopropyl-2-methylbenzene","DG(15:0/20:4(5Z,8Z,11Z,14Z)-OH(20)/0:0)","(8R,9R,10R,13S,14S)-17-Ethynyl-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,7,17-triol","Betulafolienetriol","(S)-Neomammein","Annocherine B","Adapalene","DL-Norleucine","1-(1-Acetyl-piperidin-4-yl)-3-adamantan-1-yl-urea","PC(P-16:0/20:3(6,8,11)-OH(5))","Uridine 5'-monophosphate","PA(8:0/a-13:0)","(5Z)-13-Carboxytridec-5-enoylcarnitine","Ambronide","PC(DiMe(9,3)/LTE4)","11-hydroxyhexadeca-6,12-dienoic acid","Veratramine","Dillanol","13-HPODE(1-)","Benzophenone","Ranolazine","6-((3-Cyclobutyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy)-N-methyl-3-pyridinecarboxamide","6beta-Hydroxydexbudesonide","Glucose 6-phosphate","7-beta-Hydroxyepiandrosterone","Acrimarine I","PE(DiMe(9,3)/PGF1alpha)","O-Desmethylverapamil (D-703)","Indole-3-carboxaldehyde","Menaquinol","Cichoralexin","p-Fluorofentanyl","Carbetapentane","1H-Imidazole-1-acetic acid","Adrenosterone","N-[4-(Benzylamino)-3-cyanoquinolin-2-yl]-4-methoxybenzamide","LysoPC(17:0/0:0)","(4R,5S,7R,11x)-11,12-Dihydroxy-1(10)-spirovetiven-2-one 12-glucoside","Estriol-16-Glucuronide","Phenyl-Alanine","Glabrin A","LysoPE(18:0/0:0)","PIP(16:2(9Z,12Z)/20:3(8Z,11Z,14Z)-O(5,6))","(12Z)-10-hydroxyoctadec-12-enoic acid","Cafestol","Diphenidol","Chenodeoxycholic acid glycine conjugate","Glyoxylic acid","N-Hexadecanoylpyrrolidine","3-Methylnonanedioylcarnitine","(8R,9S,13S,14S)-3-Hydroxy-13-methyl-1-octadec-9-enoyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one","PA(18:3(6Z,9Z,12Z)/18:2(10E,12Z)+=O(9))","2,5-Dihydro-2,4,5-trimethyloxazole","Propylbenzene","Prostaglandin J2","Thymine","N-[[2-(4-Amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[5,4-d]pyridin-7-yl]methyl]piperidin-4-amine","desmethylastemizole","Dynorphin A (6-8)","Theaspirone A","DTDP-alpha-D-glucose(2-)","Testosterone Propionate","(1R)-trans-Phenothrin","(1S,2R,4R,8S)-p-Menthane-2,8,9-triol 9-glucoside","6-hydroxytrideca-8,10-dienoic acid","Goshonoside F4","L,L-Cyclo(leucylprolyl)","Maltol","hex-3-enedioic acid","(1(10)E,4E,6a,9b)-9-(2-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide","2-Hydroxyundec-2-enoylcarnitine","2'-Hydroxy-4',6'-dimethoxychalcone","3a,6b,7b,12b-Tetrahydroxy-5b-cholanoic acid","Pyridazine-3,6-diol","trans-5,6-Dihydro-5,6-dihydroxy-7,12-dimethylbenz[a]anthracene","PGP(18:1(11Z)/18:1(11Z))","Isobutylpropylamine","PS(20:4(5Z,8Z,11Z,14Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","8-Amino-7-oxononanoic acid","9,10-Epoxyoctadecanoic acid","Marshdine","Triphasiol","1H-Benzimidazole-2-carboxamide, 1-(4-methoxybutyl)-N-(2-methylpropyl)-N-((3S,5R)-5-(4-morpholinylcarbonyl)-3-piperidinyl)-","4-Aminophenol","Pyrraline","N-Stearoyl Glutamine","Methyl 15-cyanopentadecanoate","Ancistrocladine","Ethyl isopropyl sulfide","Diethyl succinate","Ajmalicine","Hematoporphyrin","PA(10:0/13:0)","PC(14:0/20:3(5Z,8Z,11Z)-O(14R,15S))","9-Methylxanthine","5-hydroxytrideca-8,11-dienoic acid","1-Methylguanosine","3'-Hydroxy-4',5',7,8-tetramethoxyflavone","7-Demethyltangeretin","2-Naphthalenesulfonic acid","16-Hydroxy-10-oxohexadecanoic acid","LysoPA(i-12:0/0:0)","Paromomycin I","Penicillin K","Pyruvic acid","Meclizine","Diisopropylamine","Cetiedil","Adrenoyl ethanolamide","2,3,5,6,8,8a-Hexahydro-2,5,5,8a-tetramethyl-7H-1-benzopyran-7-one","Benzidine","2'-Epi-Perindopril, (2'R)-","Cocculine","Methacrylamide","2-Lysophosphatidylcholine","2-[(2-Amino-2-oxoethyl)-[(2S)-2-[(2-amino-2-oxoethyl)-(carboxymethyl)amino]propyl]amino]acetic acid","Dopamine","Phorone A","17-Hydroxylinolenic acid","Tamarixetin","N,N-Dimethylethylamine","Benzamide, N-(3R)-1-azabicyclo[2.2.2]oct-3-yl-4-chloro-","Tyr-ile-gly-ser-arg","Polyoxyethylene sorbitan monooleate","D-Mannose 1-phosphate","L-Valine","2-Methoxy-4-(4-methyl-1,3-dioxolan-2-yl)phenol","Sinapic acid","Ropivacaine","7-hydroxytrideca-9,11-dienoic acid","Trihydroxybutane","Diaveridine","Tetradecenoylcarnitine","Isopropenyl acetate","3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid","Glucosereductone","Dihydro-4-mercapto-3(2H)-furanone","Fenbendazole","Glycyl-Isoleucine","(3-Aminopropyl)(n-butyl)phosphinic acid","2-Nitropropane","Trimipramine","Dipipanone","Pyrodone","Furanojaponin","Mulberrofuran A","Doramapimod","12-oxo-PDA","Fragransin C1","Mulberrofuran T","Demethoxyfumitremorgin C","Adipic acid","Dephospho-CoA","N-lactoyl-Tryptophan","N-Methylolpentamethylmelamine","Myricanone","[(3S,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] octadec-9-enoate","Alpha-Lactose","Taurochenodesoxycholic acid","Parakmerin A","PC(2:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","2-Imidazolidone","DG(15:0/20:4(5Z,8Z,11Z,13E)+=O(15)/0:0)","Menthol glucuronide","Foretinib","Eriobofuran","Isoleucine","Dextromoramide","3-hydroxytrideca-5,7-dienoic acid","PG(LTE4/i-13:0)","Canrenone","2-Methylhippuric acid","(12E)-9-hydroxyoctadec-12-enoic acid","PC(14:1(9Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","Fumarycarnitine","Citraconic acid","2-Aminodipyrido[1,2-a:3',2'-d]imidazole","Rizatriptan","Solasodiene","6-Hydroxyketamine","N-Acetyl-L-phenylalanine","Dicaffeoylputrescine","(9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid","Fenhexamid","PA(16:0/14:1(9Z))","Isomurrayazoline","Adenosine 3',5'-diphosphate","4-Hydroxycinnamic acid","Saccharopine","N-((2,2-Dimethyl-2,3-dihydro-benzofuran-7-yloxy)ethyl)-3-(cyclopent-1-enyl)benzylamine","1,10-Phenanthroline","Benzeneacetic acid, 4-(2-(diethylamino)-2-oxoethoxy)-3-ethoxy-, propyl ester","Xylulose 5-phosphate","Crenolanib","tetradeca-3,5,7-trienoic acid","1,2-Dihydro-1,1,6-trimethylnaphthalene","Isokessane","6-Methyl-5-hepten-2-one propyleneglycol acetal","[3-[2,3-Dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate","(S)-Methylmalonic acid semialdehyde","2-(Diethylamino)ethyl 4-amino-5-chloro-2-methoxybenzoate","3, 5-Tetradecadiencarnitine","7-oxooctanoic acid","PG(i-17:0/20:4(6E,8Z,11Z,14Z)+=O(5))","3-Hexenedioic acid","Homochlorcyclizine","7,8-Dehydroastaxanthianthin","11-(3-Pentyloxiran-2-yl)undec-9-enoic acid","4-[(E)-2-(7-Heptoxy-4,4-dimethyl-1,1-dioxo-2,3-dihydrothiochromen-6-yl)prop-1-enyl]benzoic acid","Octadeca-2,4,6,8-tetraenoic acid","(2'E,4'Z,8E)-Colneleic acid","Succinic acid semialdehyde","4-hydroxyoct-6-enoic acid","Kynurenine","[(2R,5R)-5-(6-Aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate","Tyrphostin AG 1296","Salicylic acid","(-)-2-Difluoromethylornithine","Pipereicosalidine","10-Acetoxytoxol","(8E,12Z)-10-hydroxyoctadeca-8,12-dienoic acid","Manidipine","Ketamine","N-[2-(Dimethylamino)ethyl]-N-methyl-4-[({4-[4-morpholin-4-yl-7-(2,2,2-trifluoroethyl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]phenyl}carbamoyl)amino]benzamide","(S)-4-(4-Methylphenyl)-2-pentanone","1,4-Benzodioxin-2(3H)-one","Choline","(3b,6b,8a,12a)-8,12-Epoxy-7(11)-eremophilene-6,8,12-trimethoxy-3-ol","PE(DiMe(9,3)/6 keto-PGF1alpha)","Pseudoionone","Dodeca-2,4,6-trienoylcarnitine","(1R,3S,4S)-1,8-Epoxy-p-menthan-3-ol glucoside","2,3-Dihydrobenzofuran","D-Tyrosine","Panaquinquecol 1","Bicyclomahanimbicine","Rhusflavanone","Nicotinic acid","Gentian Violet","2-hydroxyacrylic Acid","SM(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))","Nandrolone","(E)-8-(3,4-Dimethoxystyryl)-7-methyl-1,3-dipropylxanthine","Tributyl Phosphate","(2S)-N-[(2S)-1-[Acetyl-[(2S)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-amino-4-methylpentanamide","12,13-EpOME","Betulin","Glycerol trihexanoate","2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol","trans-Allo-ocimene","(2R,3S)-1-[(7-Methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol","dodeca-4,6,8-trienoic acid","Sucrose laurate","Cadalene","3,5-Dihydroxydodecanoylcarnitine","D-Lysine","Dimethyl sulfoxide","L-Aspartic acid","Isohumulinone A","2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol","(2E)-undec-2-enedioic acid","Leucine","Citramalic acid","3-chlorobenzaldehyde","Biperiden","(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid","2-Acetyl-3,5-dimethylfuran","Casokefamide","p-Aminobenzoic acid","Ethyl 3,4-dihydroxybenzoate","Dethiobiotin","3,4,5-Trimethoxycinnamic acid","10-Hydroxy-8-nor-2-fenchanone glucoside","Indole-3-carboxylic acid","Chlorcyclizine","PE(P-18:1(9Z)/20:0)","Mestranol","Aritmina","PA(18:1(12Z)-O(9S,10R)/i-20:0)","Lifibrol","pyroglutamylproline","Tryptophyl-Alanine","CDP","Carnocin U I49","Methyl pyruvate","N-Acetylvaline","CDP-DG(i-12:0/20:3(8Z,11Z,14Z)-O(5,6))","m-Aminobenzoic acid","15(S)-Hydroxyeicosatrienoic acid","Pholcodine","Musanolone C","Linolenelaidic acid","Oxoglutaric acid","4'-Hydroxy-5,6,7,8-tetramethoxyflavone","Phytyl diphosphate","(12Z,15Z)-10-hydroxyoctadeca-12,15-dienoic acid","Dimethindene","Benzoyleneurea","Quinocetone","Nictindole","Pirsidomine","Mesaconic acid","3-hydroxyundecanoic acid","Leucinic acid","1,1,1-Trifluoroethane","DG(18:1n9/0:0/18:3n6)","Pibenzimol","Aucubin","(10E,12Z)-9-HODE","4-hydroxytetradecanedioic acid","Glechomafuran","1,2,3-Trihydroxybenzene","Butyrylcarnitine","2-N,N-Di-n-propylamino-4,7-dimethoxyindan","PA(18:2(9Z,12Z)/20:2(11Z,14Z))","Liensinine","Anhydrocinnzeylanol","Oleic acid","Bismahanine","Estriol","Alanyl-Histidine","(3beta,23E)-3-Hydroxy-27-norcycloart-23-en-25-one","Uridine diphosphate-N-acetylglucosamine","5-Hydroxytryptophol","(8E,15E)-1,8,15-Heptadecatriene-11,13-diyne","Glycitein","(4-Methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone","Versalide","2-Methylglutaric acid","PA(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/2:0)","Cyclo(L-Phe-L-Pro)","2-(3-Methylphenyl)-1,3-dioxan-5-ol","Diisopropyl ether","pyrrolo[2,1-c][1,4]benzodiazepine","3'-Hydroxyhexobarbital","DG(18:3n6/0:0/18:3n3)","1-Acetylcyclohexyl acetate","3-hydroxystachydrine","PC(16:1(9Z)/20:4(6E,8Z,11Z,14Z)-OH(5S))","Eudesmic acid","Guanosine","Sinapyl alcohol","Trimethoprim","DL-Proline","N1,N5,N10,N14-Tetra-trans-p-coumaroylspermine","1-Hydroxycarvedilol","3-Sulfinylpyruvic acid","DG(18:3n6/0:0/18:3n6)","Ketotifen","Marasmen-3-one","Benzyl 6-O-beta-D-apiofuranosyl-beta-D-glucoside","Prolylphenylalanine","N-methylhydroxyproline","Hexadecanedioic acid","1,4-Dioctyl sulfosuccinic acid","PA(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))","2-Hexenyl acetate","1,N6-Ethenoadenine","Isorhynchophylline","(2E,6E)-2,6-Nonadienal","Norbicycloekasantalal","6-beta-D-Glucopyranosyl-4',5-dihydroxy-3',7-dimethoxyflavone","Lotusine","Sumarotene","Masitinib","2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene","Pindolol","11,12-Dimethoxy-8,11,13-abietatrien-20,7-olide","Indole-3-carbinol","N-Acetyl-Leu","Crispane","ent-Epicatechin-(4alpha->8)-ent-epicatechin 3'-gallate","Isoketocamphoric acid","Puromycin","PA(a-17:0/20:3(8Z,11Z,14Z)-2OH(5,6))","LysoPI(16:0/0:0)","5-Androstene-3b,16a,17a-triol","Euglobal Ia1","3-Hydroxymethylglutaric acid","Tetrahydrogestrinone","SM(d16:2(4E,8Z)/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))","Galactitol","Ethylene carbonate","3-Methylglutaconic acid","LysoPA(22:4(7Z,10Z,13Z,16Z)/0:0)","N-Docosahexaenoyl Isoleucine","PGP(18:0/18:1(9Z))","(-)-Quebrachamine","PC(22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17)/2:0)","Tryptophyl-Proline","N-Lactoylvaline","Phenylpyruvic acid","7-Ethyl-3,6-dihydro-1,4-dimethylazulene","3-(6-(Dimethylamino)-4-methylpyridin-3-yl)-2,5-dimethyl-N,N-dipropylpyrazolo[1,5-a]pyrimidin-7-amine","8-Hydroxy-1-methoxy-3-methylanthraquinone","Dodecyl gallate","LysoPA(i-20:0/0:0)","Glycylproline","Cortexolone","Triethylamine","Brexpiprazole","2,5-Dimethylstyrene","Tsibulin 2","2,3-dihydroxy-3-methylvalerate","Sphondin","2-Aminonaphthalene","7-hydroxygranisetron","5-Hydroxyemedastine","Senkyunolide N","17-(3-Pyridyl)-5,16-androstadien-3beta-acetate","5,7,3',4'-Tetrahydroxyflavanone 7-alpha-L-arabinofuranosyl-(1->6)-glucoside","2-Dodecylbenzenesulfonic acid","5b-Cholestane-3a,7a,12a,25,26-pentol","Trimetazidine","Milciclib","(9Z,11R,12S,13S,15Z)-12,13-Epoxy-11-hydroxy-9,15-octadecadienoic acid","Trimethyl Phosphate","4,5-Epoxy-11(13)-guaien-12,8-olide","(1S,2S,4R)-1,8-Epoxy-p-menthan-2-ol glucoside","Glutamic acid","3-Nonyl-1H-pyrazole","Nefazodone","GDP-glucose","Dihydrocapsiate","2-Amino-5-phenylpyridine","Galactonic acid","(ent-16betaOH)-16,17-Dihydroxy-9(11)-kauren-19-oic acid","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Ginsenoside Rg6","3-Hydroxyfluorene","Octadecanamide","3-Hydroxyadipic acid","[4]-Shogaol","PC(P-16:0/PGJ2)","Kessyl glycol","Encainide","1-Ethyl-2-pyrrolidinone","3,17,20-Trihydroxypregnane","Orphenadrine","17-Iodoheptadecanoic acid","5-Aminopentanoic acid","2-Phenylacetamide","5-(3-Methyl-5-pentylfuran-2-yl)pentanoylcarnitine","12-KETE","Oxolan-3-one","9-(3-Methyl-5-pentylfuran-2-yl)nonanoylcarnitine","(1,10,11,12,14,23-Hexahydroxy-6,10,19-trimethyl-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-22-yl) 3,4-dimethoxybenzoate","Etidocaine","N-a-Acetyl-L-arginine","Golvatinib","Linoleoyl ethanolamide","14,19-Dihydroaspidospermatine","Guanosine diphosphate mannose","alpha-Cephalin","Acetal R","Itaconic acid","Glycerophosphoric acid","PA(18:1(11Z)/18:2(9Z,12Z))","L-Alanine","Mitoxantrone","Erythroskyrin","PA(16:0/18:3(6Z,9Z,12Z))","4-Acetamidobutanoic acid","Xanthylic acid","Cariporide","Floionolic acid","2-Propylthiophene","Pipernonaline","Ribavirin monophosphate","(ent-2alpha,3beta,15beta,16beta)-15,16-Epoxy-2,3-kauranediol","5,7-Dihydroxy-3',4',5'-trimethoxyflavone","13(S)-Hydroperoxylinolenic acid","6-Amino-4-(4-phenoxyphenylethylamino)quinazoline","Isoquinoline","Besifovir","Rhodamine B","9,10-Epoxyoctadecenoic acid","Tetrahydrofurfuryl disulfide","Sucrose monolaurate","Gemcabene","PG(a-17:0/PGE2)","Endomorphin-1","Sulindac","Phenazocine","Temarotene","Phenethyl decanoate","Thymolphthalein","2,9-Dimethyl-2,9-diazatricyclo[10.2.2.25,8]octadeca-5,7,12,14,15,17-hexaene-3,10-diol, 9CI","(5E,8E,11E)-hexadeca-5,8,11-trienoic acid","PA(18:2(9Z,12Z)/18:0)","trans-4-Hydroxycyclohexylacetic acid","Trideca-1,11-dien-3,5,7,9-tetrayn","PC(18:1(9Z)/18:2(6Z,9Z))","2-Amino-3-methylimidazo[4,5-f]quinoline","Valine-betaxanthin","Decylubiquinone","Grossamide","DIBOA tetrahexose","2-Methylimidazole","PS(16:0/6 keto-PGF1alpha)","7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone","Lactic acid","Gallopamil","3-Oxo-12,18-ursadien-28-oic acid","Rilpivirine","beta-Solanine","5-Thymidylic acid","2-Methylpyrrolidine","2-Ethylhexyl 4-(dimethylamino)benzoate","4'-Hydroxyflurbiprofen","(1beta,2beta,5beta)-p-Menth-3-ene-1,2,5-triol","Nicaraven","1,11-Undecanedicarboxylic acid","Enalapril","Trioxifene","3-oxododecanoylcarnitine","PC(14:1(9Z)/LTE4)","3-oxodecanoylcarnitine","(8R,9S,13S,14S,17S)-17-Benzyl-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol","PA(2:0/18:3(10,12,15)-OH(9))","(2Z)-2-Morpholin-4-yliminoacetonitrile","Ajmaline","2-Hydroxyadipic acid","N-Linoleoyl GABA","beta-Alanine","Piplartine","Gitoxin","Dihydroptaeroxylin","2-Hydroxyfluorene","Castanospermine","bergenin","Styrene Oxide","2,3-Dihydroxypyridine","Isoleucyl-Isoleucine","Chloroprene","Gemfibrozil","Styrene","2,4-dimethylpentan-3-amine","Levobunolol","7-Formyldehydrothalicsimidine","Carbinoxamine","Dehydropinifolic acid","4-Hydroxyproline","Ribosylzeatin phosphate","(S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","N,N-Dimethylbutylamine","alpha-Chaconine","Dopexamine","Nestorone","Quinacainol","Rosmaridiphenol","Eicosa-11,14,17-trienoic acid","Ergocornine","Maleic acid homopolymer","PC(P-16:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","2-(2-Butoxyethoxy)ethanol","N-Allylglycine","4-Methyl-2-pentyl-1,3-dioxolane","Phosphate","N-Palmitoyl Glutamine","3,4-Dihydroxydodecanoylcarnitine","PA(a-13:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","Ferulic acid","6,11-Dihydroxy-2,2-dimethylpyrano[3,2-c]xanthen-7(2H)-one","Vesatolimod","7-Isopropyl-5-methylbicyclo[2.2.2]oct-5-en-2-one","Pyrroline","1-Methyl-1,3-cyclohexadiene","PS(14:0/16:1(9Z))","(5alpha,8beta,9beta)-5,9-Epoxy-3,6-megastigmadien-8-ol","Hexylamine","Tazolol","PC(P-18:0/20:4(6E,8Z,11Z,14Z)+=O(5))","LysoPA(0:0/18:1(9Z))","L-prolinamide","LysoPC(18:3(6Z,9Z,12Z)/0:0)","4-oxooctanoic acid","Aurantiumal","Cycloartomunin","Aminocaproic acid","Xanthotoxol","3-hydroxytrideca-6,9-dienoic acid","2,2':5',2''-Terthiophene","4-Dodecylbenzenesulfonic Acid","O-(13-Carboxytridecanoyl)carnitine","LysoPC(18:2/0:0)","PC(14:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","3-Hydroxytetradecanoic acid","Benzyl nicotinate","9,10-Dihydroxystearic acid","Arachidonoyl Serinol","Levamisole","Resmethrin","Imidazolone","4-Methoxy-3,3',5-trihydroxybibenzyl","N(5)-Acetylornithine","Myristic acid","PA(18:2(9Z,12Z)/18:2(9Z,12Z))","1-Lyso-2-arachidonoyl-phosphatidate","3-[4-[(E)-2-[6-(Dibutylamino)naphthalen-2-yl]ethenyl]pyridin-1-ium-1-yl]propane-1-sulfonate","Buformin","Bergaptol","Phenyllactic acid","Betaxolol","gamma-L-Glutamyl-L-pipecolic acid","9-Oxohexadecanoic acid","alpha-Solanine","Gardenin B","N-[(1R)-1-(3-Methoxyphenyl)ethyl]-3-phenylpropan-1-amine","3-methylheptadecanoic acid","LysoPA(0:0/16:0)","Resveratrol","Flavinat","Vomifoliol","Ophthalmic acid","3-hydroxyicosanoic Acid","Nafoxidine","Fosphenytoin","y-Morphine","Zankiren","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid","Enoxacin","Porphycene","Adenine","2-((2-Chloroethyl)ethylamino)ethanol","Hovenitin I","Choline sulfate","Benzamide, 3-(3-((2-(3,4-dihydroxyphenyl)ethyl)amino)butyl)-","Plantaricin BN","PE(22:0/P-16:0)","LysoPC(16:0/0:0)","Diisopropylphosphate","Isobutyric acid","Triethyl Phosphate","3-(3,4-Dihydroxyphenyl)-2-methoxypropionic acid","Purine","D-Lactic acid","2-(4-Methyl-5-thiazolyl)ethyl isobutyrate","Nonanal propyleneglycol acetal","Vitacoxib","2-Phenylethanol glucuronide","CDP-DG(i-14:0/20:3(8Z,11Z,14Z)-O(5,6))","Quinacrine","Dihydroxyacetone","Promethazine","Riesling acetal","Cholic acid","Arachidonic acid","Protocatechuic acid","PC(2:0/20:3(6,8,11)-OH(5))","5-(2-Furanyl)-3,4-dihydro-2H-pyrrole","Carnosol","PA(16:1(9Z)/15:0)","Cristacarpin","1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one","Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","3-oxoundecanoic acid","Ethylmalonic acid","N-Oleoyl phenylalanine","N-(1-Deoxy-1-fructosyl)leucine","PG(5-iso PGF2VI/i-19:0)","Rhodinyl phenylacetate","Allocholic acid","N-[2-(3,4-Dimethoxyphenyl)ethyl]-3,4-dimethoxycinnamic acid amide","PC(P-16:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))","4-Hydroxybenzoic acid","PA(18:3(6Z,9Z,12Z)/18:0)","(10E,12Z)-Octadecadienoic acid","2-(Carboxymethylamino)-3-methylbutanoic acid","13-HOTE","4-hydroxytrideca-6,8-dienoic acid","MG(18:2(10E,12Z)+=O(9)/0:0/0:0)","Theophylline","Quinupramine","PC(14:0/14:0)","Motesanib","N-Lactoylleucine","D-Malic acid","Proadifen","(S)-3-Ethylidenehexahydropyrrolo[1,2-a]pyrazine-1,4-dione","2-Hydroxyvaleric acid","Acetylenedicarboxylic acid","Tetrazepam","Turanose","2-Aminobiphenyl","5,6,7,8-Tetrahydroxy-3',4'-dimethoxyflavone","Picolinic acid","Penitrem E","2-Hexaprenyl-3-methyl-5-hydroxy-6-methoxy-1,4-benzoquinol","Tridemorph","Ethyl carbamate","Pyroglutamic acid","Mannitol","1,3,5-Trihydroxybenzene","Ecdysone","8,9-DiHETrE","Epoxyoxophorone","N-Methylnicotinamide","PE(18:2(9Z,12Z)/18:2(9Z,12Z))","triacetate lactone","Diosmetin 7-O-beta-D-glucopyranoside","Androsterone","Dihydrocurcumin","S-Adenosylmethionine","Piclozotan","PC(34:4)","PC(P-16:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))","Deoxyguanosine","1-Cyclohexyl-4-(1,2-diphenylethyl)piperazine","Octadeca-2,9-dienoic acid","L-Thymidine","Tasidotin","Cytidine monophosphate","3,9-Dimethyl-6-(1-methylethyl)-1,4-dioxaspiro[4.5]decan-2-one","(-)-Aspidospermine","Amrinone","3-Palmitoyl-sn-glycerol","(1beta,4E,8beta,10alpha)-1,10-Epoxy-4,11(13)-germacradien-12,8-olide","Pexacerfont","Acolongifloriside K","Butyl nitrite","L-Dihydroorotic acid","beta-(2-Methoxyphenoxy)-lactic acid","3-Methylnonanoylcarnitine","Malic acid","PC(16:0/PGJ2)","N-Docosahexaenoyl Lysine","LysoPE(16:0/0:0)","Dimethyl carbonate","Androsterone sulfate","Gly-Norvaline","MG(0:0/18:4(6Z,9Z,12Z,15Z)/0:0)","N-Nitroso-pyrrolidine","Aloxistatin","4-Vinylsyringol","(2E,4E)-2,7-Dimethyl-2,4-octadienedioic acid","Deterrol","PC(34:2)","Eplerenone","9,10,13-Trihydroxystearic acid","Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-","(E,E)-11,13-Octadecadien-9-ynoic acid","(1Z,4Z)-1,5-bis(4-hydroxyphenyl)-1,4-pentadiene","PE(DiMe(9,3)/LTE4)","2-Propenamide, 2-cyano-3-(4-hydroxy-3,5-bis(1-methylethyl)phenyl)-","S-Ethyl dipropylthiocarbamate","Triphenylethylene","Taurodeoxycholic acid","PE(16:0/18:3(6Z,9Z,12Z))","9,10-Epoxystearic acid","Proparacaine","Alkaloid AQC2","Miltirone","(-)-Huperzine A","L-2-Hydroxyglutaric acid","Pyrrolidine","Cyanoguanidine","gamma-Crocetin","Benzoyl chloride","1-Phenyl-2-benzylaminopropane","Cinnamyl cinnamate","9-Arabinofuranosyladenine","PC(18:2(10E,12Z)+=O(9)/2:0)","3'-AMP","Vesnarinone","Isocolumbin","Nefopam","Deoxycholic acid","9-beta-d-Arabinofuranosylguanine","3-hydroxytrideca-4,6-dienoic acid","Isolinderenolide","PC(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/2:0)","PA(18:3(6Z,9Z,12Z)/18:2(9Z,12Z))","9,10-DHOME","Durandro","[9]-Gingerol","Methyl linolenate","LysoPA(0:0/18:2(9Z,12Z))","Butyric acid","Undecanal propyleneglycol acetal","PC(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/2:0)","Prolylproline","2-Butyne-1,4-diol","(R)-3',7-Dihydroxy-2',4'-dimethoxyisoflavan","Difluoromethyl (2R)-2,5-diaminopentanoate","Cis-8,11,14,17-Eicosatetraenoic acid","(+)-Fargesin","Polidocanol","Coumatetralyl","3beta-Hydroxypregn-5-en-20-one sulfate","Flavin mononucleotide","PS(14:0/15:0)","N-Ethylglycine","Heptadecadienoic acid","DG(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)","Norecasantalic acid","DG(16:0/18:1(9Z)/0:0)","Thymidine 5'-triphosphate","Dihexyl phthalate","DG(18:1n7/0:0/18:4n3)","2-Ethyl-2-oxazoline","Sebiferic acid","L-Pipecolic acid","12-Ketodeoxycholic acid","DG(18:1n9/0:0/18:4n3)","5-Hydroxy-3',4',7,8-tetramethoxyflavone","3-Methoxytyrosine","1-(1-methylethenyl)-3-(1-methylethyl)-benzene","(S)-3-(2-Methylphenoxy)propane-1,2-diol","2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methoxy-3-dibenzofuranyl)-","Rotigotine","PS(18:4(6Z,9Z,12Z,15Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","gamma-Butyrolactone","Glutathione","12,13-DHOME","7-oxononanoic acid","PA(18:3(6Z,9Z,12Z)/18:3(9Z,12Z,15Z))","Leucylleucine","2-Ethyl-5,7-dimethyl-3-[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]imidazo[4,5-b]pyridine","6-Methylmercaptopurine","gamma-Glutamylphenylalanine","3a,12b-Dihydroxy-5b-cholanoic acid","trans-10-Heptadecenoic acid","3-hydroxynonanoyl carnitine","1,9-Pyrazoloanthrone","Ethyl butyrate","Dimetacrine","(1(10)E,4beta,5alpha,8beta)-4,5-Epoxy-1(10),11(13)-germacradien-12,8-olide","2-Pyridinemethanamine, N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-","[3-[(2R,6S)-2,6-Dimethylpiperidin-1-yl]-4H-oxadiazol-3-ium-5-ylidene]azanide","Glycerol 3-phosphate","PC(P-18:1(11Z)/20:4(6E,8Z,11Z,14Z)+=O(5))","LysoPE(0:0/14:0)","Metamitron","Dodecyl benzenesulfonate","1,2,3,4-Tetrahydronaphthalene","PC(14:0/LTE4)","LysoPA(18:4(6Z,9Z,12Z,15Z)/0:0)","Glycerophosphoglycerol","3alpha,7alpha,12alpha-Trihydroxycholestanoic acid","Indoleacetaldehyde","11,12-Dihydrolactaroviolin","Diisopropylethylamine","13-Docosenamide","(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine","Leukoaminochrome","3-Epiaphidicolin","tetrahydropyridoindole","Phthalic acid","3-Furoic acid","undeca-4,6-dienoic acid","Hydroxyprolyl-Leucine","Metergoline","2,4-Quinolinediol","(1S,2S,6R,15S,16R)-5-(Cyclopropylmethyl)-16-(2-hydroxy-3,3-dimethylbutan-2-yl)-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol","LysoPS(16:0/0:0)","4-Hydroxyquinoline","N-Acetyl-leucyl-leucyl-norleucinal","Decadienyl-l-carnitine","Hydroxypropionic acid","Androstenedione","Amcinonide","PA(18:2(10E,12Z)+=O(9)/18:2(9Z,11Z))","Serine","(5Z,8Z,11Z,14Z)-3-hydroxyicosa-5,8,11,14-tetraenoic acid","Cer(d16:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","Dibutyl decanedioate","pyroglutamylisoleucine","Sambutoxin","DL-Arginine","N-Linoleoyl Leucine","Tridecanoic acid","Dibutylamine","4-Hydroxybutyric acid","Antimycin A","Indantadol","Dihydroferulic acid","Tricycloekasantal","Junicedral","Adenosine monophosphate","Allopurinol","2,2-Dimethylpropanal 2,4-dinitrophenylhydrazone","Uric acid","Dimepheptanol","DL-Norvaline","(6E)-8-Methylnon-6-enoylcarnitine","Intoplicine","Cilostamide","ADP Ribose","Val-glu-pro-ile-pro-tyr","PC(16:0/18:2(9Z,12Z))","3a,17a-Dihydroxy-5b-androstane","2,2'-Bioxirane","LysoPC(20:2(11Z,14Z)/0:0)","2,4-Dimethyl-1-(1-methylethyl)-benzene","Dodecanamide","Stearidonic acid","(S,E)-Zearalenone","(+/-)-trans- and cis-2-Hexenal propylene glycol acetal","1,1,1-Trifluoroheptadecan-2-one","Satratoxin G","Orientin 7,3'-dimethyl ether","Erythritol","Ecgonine","Eugenyl isovalerate","(2R,3S)-3-Hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate","9-HOTE","Volasertib","Octadeca-9,11-dienoic acid","(2R,5S)-2-(6-Aminopurin-9-yl)-5-(methylsulfanylmethyl)oxolane-3,4-diol","L-Iditol","Dehydroepiandrosterone sulfate","Acetaminophen","2,5-Dimethylthiophene","5'-Hydroxypiroxicam","5,7-Dihydroxy-3',4'-dimethoxy-8-(3-hydroxy-3-methylbutyl)-isoflavone 7-glucoside","Trehalose","Succinic anhydride","Pseudolaric acid-B","Uridine diphosphategalactose","Guanine","5-hydroxytetradecanedioic acid","DL-Glutamate","Tropate","(Z,Z,Z)-1,8,11,14-Heptadecatetraene","Lucidenic acid D1","2,4,6-Tris(dimethylaminomethyl)phenol","Mahanimbinol","Cholestane-3,7,12,24,25-pentol","Isoxaben","Pimavanserin","Citric acid","Glycylleucine","2,4-Dihydroxy-nitrophenol","CDP-DG(i-12:0/18:1(12Z)-2OH(9,10))","9,12,15-Octadecatrienoic acid 1-[(phosphonoxy)methyl]-1,2-ethanediyl ester","1-[(1R,2R,3S,4S)-3-Hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea","Doxapram","gamma-Mangostin","PG(i-17:0/20:4(5Z,8Z,11Z,13E)+=O(15))","Adelmidrol","(5Z,9Z,12Z)-octadeca-5,9,12-trienoic acid","Coronin","b-Dihydrotetrabenazine","Glycocholic acid","Zingerone","2-Acetyl-3,5,5,6,8,8-hexamethyl-5,6,7,8- tetrahydronaphthalene","Lithocholyltaurine","(-)-Pyrifolidine","Ganciclovir","Verimol H","PG(a-17:0/20:3(8Z,11Z,14Z)-O(5,6))","Dieporeticanin","Stachyose","Verimol B","(E)-2-Methylglutaconic acid","PE(14:0/15:0)","Methyl 2-thiofuroate","Ribalinium","1,1-Dichloroethane","PS(18:2(9Z,12Z)/LTE4)","DG(18:3n3/0:0/18:4n3)","PC(15:0/20:5(5Z,8Z,11Z,14Z,17Z))","N1,N5,N10-Tris-trans-p-coumaroylspermine","Glutathionate(1-)","1-H-Inden-1-one,2,3-dihydro-3,3,5,6-tetramethyl","Garcinone D","trans-zeatin riboside","Myrigalone A","Bazedoxifene","PC(18:3(10,12,15)-OH(9)/2:0)","PE(18:2(9Z,12Z)/18:3(6Z,9Z,12Z))","androst-5-ene-3,17-dione","Azimexon","(9Z,12Z,14E)-16-Hydroxy-9,12,14-octadecatrienoic acid","Allopurinol riboside","Dehydrochorismic acid","(11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid","PC(P-16:0/18:2(10E,12Z)+=O(9))","Formycin A","4-Carboxypyrazole","Taurolithocholic acid 3-sulfate","PA(10:0/PGJ2)","Rubusoside","[4-[(2R)-7-(2,2-Dimethylpropanoyloxy)-4-methyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2H-chromen-3-yl]phenyl] 2,2-dimethylpropanoate","Methyl dihydroepijasmonate","Gosogliptin","Cytidine 3'-monophosphate","(alpha-D-mannosyl)7-beta-D-mannosyl-diacetylchitobiosyl-L-asparagine, isoform A (protein)","Kirenol","Tasosartan","PS(14:1(9Z)/16:1(9Z))","Mammea B/AD cyclo D","Oxetorone","(10Z)-12-hydroxyhexadec-10-enoic acid","Baikiain","Sarcosine","22-Hydroxydocosanoic acid","LysoPE(24:0/0:0)","Sorbitol","PG(22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/i-15:0)","Pregn-4-ene-3,20-dione, 11,17,18,21-tetrahydroxy-, (11beta)-","Fluanisone","(¡À)-Tryptophan","4-Chloro-2-methylphenol","Cer(d17:1/LTE4)","Trifluoroacetic acid","Digimed","12(13)Ep-9-KODE","2,6-Dimethyl-naphtalene","4-tert-Butylphenyl salicylate","PG(i-19:0/5-iso PGF2VI)","Argenteane","Naftopidil","Ganoderic acid J","Ganoderic acid H","Cetirizine","Acetic anhydride","Etofenprox","Fedratinib","Trinexapac","(11E)-tridec-11-enoic acid","Cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-","Linaprazan","trans-Aconitic acid","Leukotriene D4","Ethyl alpha-linolenate","Secoisolariciresinol 9,9'-diglucoside","LysoPC(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)","Pandamarilactone 32","1,26-Hexacosanediol diferulate","dTDP-D-glucose","1-Heptadecanoylglycerophosphoethanolamine","Leukotriene C4","Suloctidil","L-Tryptophan","N-Linoleoyl Glutamine","Adouetine X","Cropropamide","Octadeca-2,4-dienedioic acid","2,3-Dinitrophenol","Phenylalanine","Piperonyl butoxide","4-Guanidinobutanoic acid","Prolylhydroxyproline","Enokipodin A","Leukotriene B4","Decenoylcarnitine","(¡À)-erythro-Isoleucine","PC(2:0/PGF2alpha)","Uracil","Corynanthine","Emedastine","Acetylhomoserine","2-Chlorohexadecanoic Acid","alpha-(4-Fluorophenyl)-4-(5-fluoro-2-pyrimidinyl)-1-piperazine butanol","3-Methylbenzaldehyde","alpha-Caryophyllene alcohol acetate","Protohypericin","Tyr-Gly-Gly-Trp-Leu","Inosinic acid","Mocetinostat","9-Oxo-nonanoic acid","Cholesterol sulfate","N-Nitrosoanatabine","Armillasin","Octyl gallate","(9S,10E,12S,13S)-9,12,13-Trihydroxy-10-octadecenoic acid","Pseudoisoeugenol 2-methylbutanoate","7,8-Dihydroxyflavone","Simazine","Taxifolin 3-arabinoside","Margaroylglycine","LysoPC(18:1/0:0)","Oxalic acid","DG(TXB2/i-14:0/0:0)","hydroxyoctadecadienoic acid","5-Aminoimidazole","Kobusone","1-Phenyl-1,3-dodecanedione","2-Oxovaleric acid","1,3,5-Hexatriene","Flavidulol C","Diftalone","Fuberidazole","Butylbenzene","PC(P-18:0/15:0)","SM(d18:1/PGJ2)","5,9:6,9-Diepoxy-3-megastigmene","3,4',5-Biphenyltriol","Docosatetraenylethanolamide","2-Propanoylthiazole","LysoPA(18:3(9Z,12Z,15Z)/0:0)","Indinavir","(9Z)-pentadec-9-enoic acid","p-Octopamine","Difenoconazole","3,3',4,4'-Tetrahydroxy-5,5'-diisopropyl-2,2'-dimethylbiphenyl","PE(16:0/18:2(9Z,12Z))","Dimethoxycarbene","(-)-Nopol","2-Hydroxyphenethylamine","Methyl 1-pentyl-1H-indole-3-carboxylic acid","Heptadecanoic acid","5-Methyl-2,5-di-1-pyrrolidinyl-2-cyclopenten-1-one","(R)-Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester","Glutamine","LysoPC(22:2(13Z,16Z)/0:0)","Corchorifatty acid F","Tebufelone","Palmitic acid","beta-Glycerophosphoric acid","5-Pentyltetrahydro-2-oxo-3-furancarboxylic acid","LysoPE(18:1(9Z)/0:0)","3-Amino-2-oxazolidone","pyroglutamyltryptophan","D-Glycero-D-galacto-heptitol","PC(2:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","Perezone","Brompheniramine","Pergolide","Eupolauridine","6-Hydroxyemedastine","Trombodipine","Nimbolide","Formononetin","Amikacin","Platelet-activating factor","2-Hydroxy-4-methylbenzaldehyde","Trilostane","N-Nitrosodimethylamine","PS(20:5(5Z,8Z,11Z,14Z,17Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","Ethylphosphate","Dronedarone","1,2,3,4-Tetrahydro-1-phenyl-4-(1-phenylethyl)naphthalene","Prostacyclin (not favourable)","Perphenazine decanoate","Indoleacetic acid","1,3-Diphenylpropane","D-Aspartic acid","(¡À)-(E)-13-Hydroxy-10-oxo-11-octadecenoic acid","Resolvin E2","N-Lactoylphenylalanine","Erythrose","Eleclazine","Glabrolide","Xanthine","6-Hydroxydecanoylcarnitine","(8R,9R,10R,13S,14S)-10,13-Dimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthrene-3,17-dione","5-hydroxytrideca-7,9-dienoic acid","Dimethylnitramine","Uridine diphosphate glucuronic acid","Parenabol","3-(4-Hydroxy-3-methoxyphenyl)-2-methyllactic acid","PC(P-16:0/18:1(12Z)-O(9S,10R))","LysoPI(18:1(9Z)/0:0)","Carbohydrazide","Glutamylhistidine","(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate","Indoline","Maleic acid","Gluconic acid","2-Aminopurine","7-Hydroxymethyl-12-methylbenz[a]anthracene","Undecanedioic acid","S-Adenosylhomocysteine","2,4-Dihydroxybenzophenone","PE(18:2(9Z,12Z)/20:3(5Z,8Z,11Z))","Solasodine","Diketene","Dimethyltriazenoimidazole carboxamide","9-Octadecenamide","Phthalic anhydride","Nordihydrocapsaicin","Ibrutinib","Trehalose 6-phosphate","Pinokalant","(3Z,9Z)-hexadeca-3,9-dienoic acid","(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3-chlorophenyl]propanoic acid","7-Hydroxy-3',4',5,6-tetramethoxyflavone","PE(16:0/18:1(9Z))","Perillic acid","Piperidine","3,4-Dihydro-2H-pyrimido[1,2-c][1,3]benzothiazin-6-imine","LysoPG(18:1(9Z)/0:0)","D-Ornithine","Sedoheptulose 7-phosphate","Acetamide, 2-((2-hydroxyethyl)thio)-N-(3-(3-(1-piperidinylmethyl)phenoxy)propyl)-","Albendazole","2-Cyanoacetamide","2-O-Methylinosine","Vanillin","Enzastaurin","1-Hydroxybenzotriazole","Oxyphencyclimine","(4E,7E)-3-hydroxydeca-4,7-dienoic acid","5,4'-Dihydroxy-3,3'-dimethoxy-6:7-methylenedioxyflavone","Ribociclib","2'-O-Methyluridine","Riboflavin","Quingestanol","(+)-Aspidospermidine","Limonin","Lotrafiban","Deoxyinosine","SM(d18:0/PGJ2)","Quinoline","Heptanoic acid","Cuminyl alcohol","Triticonazole","O-Methylsomniferine","N-(alpha-Linolenoyl)tyrosine","Harman","5-O-Methylembelin","(E)-2-Cyano-3-(4-hydroxy-3,5-diisopropylphenyl)-N-(3-phenylpropyl)acrylamide","Mebhydrolin","Kukoamine C","Anileridine","Kukoamine B","N2-Methyl-L-arginine","PE(22:5(4Z,7Z,10Z,13Z,16Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","Octadecanedioic acid","2H-Benzo(a)quinolizin-2-ol, 2-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-","N-(p-Hydroxyphenethyl)actinidine","Hexaminolevulinate","Alpha-Linolenoyl ethanolamide","Nordihydrocapsiate","5-Hydroxyindoleacetic acid","PA(18:2(9Z,11Z)/18:1(12Z)-O(9S,10R))","Ile-Val-Val","1,2,4-Tris(methylene)cyclohexane","1-(1-Naphthyl)-2-thiourea","Budipine","Methyl glycinate","(¡À)-3-Hydroxynonanoic acid","Guanosine monophosphate","Glutaric acid","Tetrahydrocannabinol","Linopirdine","Adenylsuccinic acid","UDP-N-acetyl-alpha-D-galactosamine","DL-Acetylcarnitine","2,2,2-Trifluoro-N-methyl-N-(trifluoroacetyl)acetamide","1-Piperidinecarboxaldehyde","Telenzepine","Monoethyl carbonate","LysoPC(18:0/0:0)","CDP-DG(20:4(5Z,8Z,11Z,14Z)-OH(20)/i-15:0)","Prostaglandin F-main urinary metabolite","(10Z)-7-hydroxyhexadec-10-enoic acid","(S)-Rutaretin","PC(32:2)","Cysteinyl-Phenylalanine","PA(18:3(6Z,9Z,12Z)/20:3(8Z,11Z,14Z))","Zopiclone N-oxide","(5Z,8Z,10E,12E,14Z)-icosa-5,8,10,12,14-pentaenoic acid","3,5,5-Trimethyl-1,2-cyclohexanedione","Isomasticadienonalic acid","Praziquantel","1,5-Hexadiene","Cenicriviroc","N-Acetyl-L-methionine","Trimebutine","1-Palmitoylphosphatidylcholine","Pipequaline","1-Methyl-4-isobutylbenzene","ADP","N-Hexadecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate","1,3,7-Trimethyluric acid","Glyceric acid","Lucerastat","LysoPE(14:0/0:0)","Alanylphenylalanine","Cyclic AMP","[(3S,8R,9S,10S,13S,14S)-10,13-Dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate","1-Methoxyphaseollidin","2-Aminoisobutyric acid","Aprindine","DG(a-13:0/22:6(4Z,8Z,10Z,13Z,16Z,19Z)-OH(7)/0:0)","Pyrophosphate","Uridine","Cyproconazole","Comfrey","Eicosanedioic acid","Bifonazole","3-hydroxydecanoyl carnitine","2,3-Epoxymenaquinone","6beta-Hydroxyfluoxymesterone","D-Threitol","Fentanyl","Proline","Trimetaphosphoric acid","PS(18:1(9Z)/20:4(5Z,8Z,11Z,14Z))","1,6-Bis(cyclohexyloximinocarbonyl)hexane","Ethyl apovincaminate","Dinorpropoxyphene","5-methylheptadecanoic acid","1,2-Dichloroethane","Glycoursodeoxycholic acid","N-Tetradecyl-N,N-dimethyl-3-ammonio-1-propanesulfonate","N-Acetyltryptophan","Norecasantalal","(8Z)-10-hydroxyhexadec-8-enoic acid","Salsoline-1-carboxylate","Paeonimetabolin I","15,16-DiHODE","NAD","Fumaric acid","L-Tyrosine","Tyromycic acid","3-Phenyl benzaldehyde","1-Naphthylamine","Dimoracin","Levonorgestrel butyrate","(8S,9R,11S,13S,14S,17S)-13-Methyl-11-[4-[5-(4,4,5,5,5-pentafluoropentylsulfonyl)pentoxy]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol","Sucrose","(11E,13Z)-10-hydroxyoctadeca-11,13-dienoic acid","2'-Deoxyguanosine 5'-monophosphate","2-Methyl-1,3-cyclohexadiene","Shinflavanone","gamma-Glutamyltyrosine","4-methylheptadecanoic acid","Triclofos","1,2,3-Trimethoxybenzene","Avocadene 1-acetate","Levoinositol","(10Z,14E,16E)-10,14,16-Octadecatrien-12-ynoic acid","PA(18:1(9Z)-O(12,13)/20:3(5Z,8Z,11Z))","Methoxyacetic acid","Adenosine, 8-(butylamino)-N-cyclopentyl-","Cephaeline","Sorbitan laurate","2-Isopropylmalic acid","(S)-2-Azetidinecarboxylic acid","3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid","Propionylcarnitine","LysoPC(20:3/0:0)","Dioctyl phthalate","Aspartylphenylalanine","3-methyltetradecanoic acid","Bunitrolol","Dihydrosinapic acid","Perindopril","6-Methylgingediol","2-(Diethylamino)ethyl methacrylate","1,6,7-Trimethylnaphthalene","Suberic acid","5-O-Methylgenistein","(-)-Chimonanthine","Licoagrodin","Paeonol","9-Hydroxyfluorene","Caffeoylferuloylspermidine","5'-Methylthioadenosine","alpha-D-Glucose 1,6-bisphosphate","Acetophenone","(8R,9R,10R,13S,14S)-10,13-Dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,7,17-triol","Creatinine","Stachyflin","Allopregnanolone sulfate","Tilorone","Pentolame","Tetramethylscutellarein","Di-N-propylamine","Acoramone","11-trans-Leukotriene C4","4-Deoxycohumulone","Moexipril","Dodeca-3,5,7-trienoylcarnitine","3-Hydroxyphenyl-valeric acid","4,8,12,15-Octadecatetraenoic acid","LysoPC(20:1(11Z)/0:0)","Erinacine B","Erinacine C","DG(15:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0)","PC(18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Palmitic amide","Lexibulin","5-Hexyltetrahydro-2-furanoctanoic acid","Bilirubin","Sterebin A","Uridine diphosphate-N-acetylgalactosamine","8-Hydroxydecanoylcarnitine","(9S,10E,12Z,15Z)-9-Hydroxy-10,12,15-octadecatrienoic acid","CDP-ethanolamine","(8S,9S,10S,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-1,10,13-trimethyl-6,7,8,9,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,11-dione","isopentenyl adenosine","DIMBOA trihexose","3-Hydroxytetradeca-5,8,11-trienoylcarnitine","2-(2-Furanyl)-3-piperidinol","Xanthenone-4-acetic acid","7-hydroxytetradecanedioic acid","Tryptophol","Tamoxifen-N-oxide","cis-3-Hexenyl isobutyrate","trans-2-Hexenedioic acid","Dimethylbenzimidazole","Osimertinib","Dodecanoic acid","Uridine 5'-diphosphate","Adenosine diphosphate-D-ribose","Sphinganine","2,4-Pyrimidinediamine, 5-(5-(1-piperazinylmethyl)-1,3,4-oxadiazol-2-yl)-N4-propyl-N2-(2-(4-pyridinyl)ethyl)-","14-Deoxyandrographolide","Alvimopan","Deptropine","2,4-Dimethylquinoline","Methyprylon","m-Ethyl_toluene","N-Acetyl-9-aminominocycline, (4R)-","3-Hydroxy-2-octanone","(2'E,4'Z,7'Z,8E)-Colnelenic acid","Typhaneoside","Oxybutynin","Sulfate","Progesterone","PC(14:1(9Z)/16:1(9Z))","Ketanserin","Isonicotinic acid","D-Fructose","(2S,3R,4S,5S,6R)-2-[2,4-Dihydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol","Embelin","Prunetin","3-hydroxytridecanoyl carnitine","Glycyl-Tryptophan","2-beta-hydroxymedroxyprogesterone","Trilobinone","2-Amino-5-benzoylbenzimidazole","beta-noroxycodol","Guanosine diphosphate","4-Hydroxy-2-butenoic acid gamma-lactone","DG(10:0/0:0/8:0)","1,3,9-Trimethyluric acid","Phenylalanylleucine","Methionine","alpha-Ketoisovaleric acid","3-Ethylthiophene","Linalyl caprylate","Benzamidine","Perlapine","Salicylanilide","3-Methyl-1-butylamine","Eremopetasitenin D1","5b-Cholestane-3a,7a,12a,24,25-pentol","Octanal propyleneglycol acetal","2,3-Dihydroxy-9,10,11-trimethoxy-5,8,13,13a-tetrahydroxy-6H-dibenzo(a,g)chinolysin","9,12-Octadecadiynoic acid","2-Methyl-6-ethylpyridine","4-Amino-1,2,4-triazole","Dodecatrienoic acid","(8R,9S,10R,13S,14S,17R)-13-Ethyl-17-ethynyl-3-nitroso-2,3,6,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-ol","PG(20:4(6E,8Z,11Z,14Z)+=O(5)/i-17:0)","Meta-Tyrosine","PC(P-18:0/18:1(12Z)-O(9S,10R))","(3beta,5alpha,6alpha,7alpha,22E,24R)-5,6-Epoxyergosta-8,14,22-triene-3,7-diol","Diaminopimelic acid","3-methylpentadecanoic acid","tert-Butyl isocyanide","N-Lauroyl Glutamine","3-hydroxytrideca-5,8-dienoic acid","Melizame","(8S,9S,10R,13R,14S,17R)-5,6-Dihydroperoxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-ol","PG(PGE2/a-17:0)","Octadec-9-enoic Acid","Indole-3-propionic acid","D-Valine","20-Hydroxy-6Z,15Z-eicosadienoic acid","(Tetrahydropyran-4-yl)-[2-phenyl-5-(1,1-dioxo-thiomorpholin-4-yl)methyl-1H-indol-7-yl]amine","Heterophyllin","alpha-Zearalenol","PC(36:3)","PIP(20:2(11Z,14Z)/20:3(8Z,11Z,14Z)-O(5,6))","Phytosphingosine","Tetradecyl nicotinate","Rhizoxin","Oxyhyponitrite","N-Linoleoyl Glycine","PIP(18:2(9Z,12Z)/6 keto-PGF1alpha)","N6-(delta2-isopentenyl)-adenosine 5'-monophosphate","(2S)-3-Hydroxy-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid","Cedranoxide","5,9:6,9-Diepoxy-4-megastigmene","SM(d18:2(4E,14Z)/18:1(12Z)-2OH(9,10))","(5E,9E)-3-hydroxytrideca-5,9-dienoic acid","Glyceollin III","Valylleucine","Isobutamben","Fumitremorgin C","Hydroxyfasudil","alpha-Hydroxyisobutyric acid","(3E,5E)-1,3,5-octatriene","Diheptyl phthalate","Ceanothine C","Succinic acid","N-Arachidonoyl Glycine","Piromidic acid","L-Arginine","gamma-Linolenic acid","alpha-Linolenic acid","Benzothiazole","LysoPC(0:0/18:0)","Pivagabine","Phenylethylamine","(R)-3,4-Dihydro-8-hydroxy-3-tridecyl-1H-2-benzopyran-1-one","Santalone","LysoPG(18:2(9Z,12Z)/0:0)","4-Chloro-3-methylphenol","(10E,13E)-nonadeca-10,13-dienoic acid","10,11-dihydro-leukotriene B4","octadecenedioate","Armillatin","Pronetalol","MG(LTE4/0:0/0:0)","4-hydroxytrideca-7,10-dienoic acid","Nebivolol","PA(18:3(6Z,9Z,12Z)/16:0)","(-)-Folicanthine","FAD","Naloxone","Adavosertib","D-Proline","Linalool oxide D 3-[apiosyl-(1->6)-glucoside]","1-Methoxyphenanthrene","Inosine","Pentadecanoylglycine","2-hydroxy-3-(sulfooxy)benzoic acid","Lumichrome","Butyl-(2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)ethylamine","D-Phenylalanine","2-Pyrrolidinone","N-Stearoyl Cysteine","Roxatidine acetate","Emopamil","Methyl palmoxirate","3,4-Dimethyl-5-pentyl-2-furanheptanoic acid","Aplotaxene","3,4-Dimethylbenzoic acid","piperazine-2,3-dione","(5E)-5-[(3Ar,4S,5S,6aR)-5-hydroxy-4-[(E,3R)-3-hydroxyoct-1-enyl]-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-ylidene]pentanoic acid","11,12-Epoxyeicosatrienoic acid","4-Cyano-N-(3-(cyclopropyl(5,6,7,8,9,10-hexahydro-4-hydroxy-2-oxo-2H-cycloocta(b)pyran-3-yl)methyl)phenyl)benzenesulfonamide","((4-(4-Amidinophenoxy)butanoyl)aspartyl)valine","Moperone","Fingolimod phosphate ester, S-","Caffeine","Bopindolol","Desmethylmianserin","Flibanserin","N-Carboxymethyllysine","6-(Diethylamino)-N-[2-[(1R)-3-methyl-7-oxo-5,10-diazatetracyclo[7.4.0.01,12.02,6]trideca-2(6),3,8-triene-10-carbonyl]-1H-indol-5-yl]-1-benzofuran-2-carboxamide","N-Myristoyl Alanine","Glyceryl monolinoleate","Debrisoquine","Soyasaponin I","Heptaethylene glycol","Sarpogrelate","D-Xylitol","N-Myristoyl Serine","Sebacic acid","PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))","D-Threonine","Sphinganine 1-phosphate","Methyl dihydrojasmonate","8-Methylquinoline","12(13)-epoxy-6Z,9Z-octadecadienoic acid","Phenylalanyl-prolyl-arginine nitrile","Tetrofosmin","Diglycolic acid","Nicotyrine","Dorsomorphin","Mangostinone","PC(20:3(6,8,11)-OH(5)/2:0)","Guaiacin","PC(2:0/18:2(10E,12Z)+=O(9))","Isomucronulatol","5,7-Dihydroxyflavone","9Z,12E-Octadecadienoic acid","Dodecanedioic acid","Methoxy arachidonyl fluorophosphonate","Elenaic acid","(3E,5Z)-1,3,5-Heptatriene","3-Hydroxyhexadecanoic acid","N-Palmitoyl Asparagine","p-Benzoquinone imine","Gingerol","Allixin","S-Acetyldihydrolipoamide-E","Fluorescein","Indane","Uvaol","N-(14-Methylhexadecanoyl)pyrrolidine","(6E)-undec-6-enoic acid","Mycochromone","Octylguanidine","L-Threo-3-Phenylserine","xi-2,3-Dihydro-2-oxo-1H-indole-3-acetic acid","Phosphodimethylethanolamine","6-Ketoestriol","PE(14:0/18:2(9Z,12Z))","Thymidine","5,9-Epidioxy-3-hydroxyergost-7-en-6-one","3,4-Dihydroxyphenylvaleric acid","Diphenylamine","CDP-DG(i-12:0/18:2(10E,12Z)+=O(9))","2-Methyl-3-oxopropanoic acid","Pantetheine","D-Alanine","Indole-3-acetamide","Methylmalonic acid","6-oxononanoic acid","PA(20:4(8Z,11Z,14Z,17Z)/18:1(9Z))","3-(4-Hydroxy-3-methoxyphenyl)-1,2-propanediol","Phytocassane B","DHAP(18:0)","Palmitoyl chloride","N-Acetylsulfamethazine","3-Phosphoglyceric acid","Docebenone","Anthecotulide","(2R,3R)-2-Aminooctadecane-1,3-diol","3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid","dihydroxyferuloyl-sinapoyl spermidine","Miltefosine","2-Pentylthiophene","N,N'-Dibenzhydrylethane-1,2-diamine","Chaetoglobosin N","CDP-DG(i-13:0/18:1(9Z)-O(12,13))","Mitragynine","LysoPE(22:1(13Z)/0:0)","Ganoderic acid C1","Soyasaponin III","5-Hydroxy-4-methoxy-5-(1-oxo-9,12,15-hexadecatrienyl)-2(5H)-furanone","alpha-Naphthoflavone","Cer(d16:1/LTE4)","Azelaic acid","Acutilobin","(E)-Piperolein A","Trifluoromethyl iodide","(9Z)-nonadec-9-enoic acid","3-Isobutyl-1-methylxanthine","[(2R,5R)-5-(2-Amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate","Diethyltoluamide","PC(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))","Deoxyadenosine monophosphate","Vindesine","(-)-Epigallocatechin 3,4'-di-gallate","12-Keto-tetrahydro-leukotriene B4","Norvaline","Piperidine, 1-(4-(1-methyl-1-(4-methylcyclohexyl)ethoxy)phenyl)-, cis-","Foeniculoside VII","Asiaticoside"],"additional_accession":[]},"is_claimable":false,"name":"Mechanistic profiling of Bifemetstrobin against the tea anthracnose pathogen and candidate evaluation of an amine oxidase target","description":"Tea anthracnose caused by Glomerella cingulata threatens yield and quality, while resistance to legacy fungicides highlights the need for new modes of action. We characterized the antifungal activity and mechanism of bifemetstrobin against G. cingulata by combining efficacy assays with cell biology and integrated multi omics. Bifemetstrobin inhibited mycelial growth (EC50 = 5.04 μg/mL) and spore germination and provided up to approximately 80% curative suppression on detached tea leaves. Microscopy revealed dose dependent hyphal and conidial deformation and mitochondrial injury. Consistently, bifemetstrobin collapsed mitochondrial membrane potential (MMP), reduced intracellular ATP, and increased membrane leakage with depletion of reducing sugars and soluble proteins. Transcriptome, data-independent acquisition (DIA) proteomics and metabolome data converged on reprogramming of carbohydrate and amino acid metabolism, membrane processes, and redox homeostasis, with DNA replication signatures emerging at the higher dose. Cross-layer mapping prioritized an amine oxidase (AO) as a hub. Bifemetstrobin bound AO with micromolar affinity (microscale thermophoresis/isothermal titration calorimetry), supported by docking and molecular dynamics, and outperformed azoxystrobin in binding. Pairing bifemetstrobin with pyrrolnitrin yielded strong in vitro synergy and improved leaf protection. Across additional phytopathogens, bifemetstrobin retained activity in vitro (EC50 range 1.19–27.38 μg/mL), outperforming azoxystrobin on the tea anthracnose strain. These findings nominate AO as a high confidence candidate supported by binding assays and link target engagement to mitochondrial failure and carbon-nitrogen reprogramming, supporting bifemetstrobin (alone or in rational mixtures) as a promising candidate for tea anthracnose management.
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