{"database":"MetaboLights","file_versions":[{"headers":{"Content-Type":["application/json"]},"body":{"files":{"Tabular":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14792/m_MTBLS14792_LC-MS_alternating_reverse-phase_v2_maf.tsv"],"Txt":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14792/i_Investigation.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14792/s_MTBLS14792.txt","ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14792/a_MTBLS14792_LC-MS_alternating_reverse-phase.txt"],"Other":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14792/FILES/RAW_FILES/Raw_files-X101SC260410105-Z03-J001-B1-42-2026.zip"]},"type":"primary"},"statusCode":"OK","statusCodeValue":200}],"scores":null,"additional":{"ftp_download_link":["ftp://ftp.ebi.ac.uk/pub/databases/metabolights/studies/public/MTBLS14792"],"metabolite_identification_protocol":["Based on adduct ions and a mass deviation of 10 ppm, metabolite identification was performed by matching to the self-built high-quality secondary spectrum database (NovoMetDB). Identified metabolites were further annotated using KEGG, HMDB, and LIPIDMaps databases."],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - alternating - reverse-phase"],"chromatography_protocol":["UHPLC-MS/MS analyses were performed using a Vanquish UHPLC system coupled with an Orbitrap Q Exactive HF, Q Exactive HF-X, Orbitrap Exploris 120, or Orbitrap Exploris 480 mass spectrometer. Samples were injected onto a Hypersil Gold column (100 x 2.1 mm, 1.9 um) using a 12-min linear gradient at a flow rate of 0.2 mL/min. Eluent A was 0.1% formic acid in water and eluent B was methanol. The gradient was: 2% B at 1.5 min, 2-85% B at 3 min, 85-100% B at 10 min, 100-2% B at 10.1 min, and 2% B at 12 min."],"publication":["Mendelian Randomization of Gut Microbiota and Exploratory Testing of Preventive Effect of Commercial Rothia mucilaginosa in Constipated Mice."],"submitter_affiliation":["Tianjin Union Medical Center, Nankai University"],"submitter_name":["Peishi Jiang"],"organism_part":["culture medium (uninoculated)","solvent blank","quality control sample","bacterial pellet","culture supernatant"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["For cell or bacteria samples, samples were resuspended with prechilled 80% methanol, sonicated in a water bath for 15 min, centrifuged at 15,000 rpm for 20 min, and supernatants were freeze-dried and dissolved with 10% methanol before LC-MS/MS analysis. For cell or bacteria culture medium samples, 1 mL samples were freeze-dried, resuspended with prechilled 80% methanol, incubated on ice for 5 min, centrifuged at 15,000 rpm for 20 min, diluted to 53% methanol, centrifuged again, and supernatants were injected. Blank samples used 53% methanol in water with the same preprocessing workflow."],"organism":["not applicable","Rothia mucilaginosa"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS14792"],"author":["Peishi Jiang. Tianjin Union Medical Center, Nankai University. jiangpeishi@foxmail.com."],"data_transformation_protocol":["The data files generated by UHPLC-MS/MS were processed by XCMS for peak alignment, peak picking, and quantitation. Metabolites with more than 50% missing values were filtered and remaining missing values were imputed using KNN. Background ions were removed using blank samples, and compounds with QC coefficient of variation greater than 30% were filtered."],"study_factor":["Sample class"],"submitter_email":["jiangpeishi@foxmail.com"],"sample_collection_protocol":["Biological samples were prepared by the customer, transported on dry ice, and stored at -80 C before metabolomics processing. Quality control (QC) samples were prepared by pooling equal volumes of all experimental samples, and blank samples used 53% methanol in water."],"omics_type":["Metabolomics"],"study_design":["Metabolomics","culture medium (uninoculated)","metabolite profiling assay","not applicable","untargeted analysis","solvent blank","quality control sample","mass spectrometry assay","bacterial pellet","culture supernatant","experimental sample","Thermo Scientific Vanquish UHPLC System","Orbitrap Q Exactive HF-X mass spectrometer (Thermo Fisher Scientific)","in vitro design","Rothia mucilaginosa","experimental blank"],"curator_keywords":["Metabolomics","culture medium (uninoculated)","metabolite profiling assay","not applicable","untargeted analysis","solvent blank","quality control sample","mass spectrometry assay","bacterial pellet","culture supernatant","experimental sample","Thermo Scientific Vanquish UHPLC System","Orbitrap Q Exactive HF-X mass spectrometer (Thermo Fisher Scientific)","in vitro design","Rothia mucilaginosa","experimental blank"],"mass_spectrometry_protocol":["Q Exactive HF mass spectrometer was operated in positive and negative polarity mode with spray voltage 3.5 kV, capillary temperature 320 C, sheath gas flow rate 35 psi, aux gas flow rate 10 L/min, S-lens RF level 60, and aux gas heater temperature 350 C. The scan range was m/z 100-1500 and MS/MS acquisition used data-dependent scans."],"metabolite_name":["4-Hydroxynonenal","PA(20:1(11Z)/PGF1alpha)","cis-3-Hexenyl pyruvate","Guineensine","1,4-Bis((p-propylphenoxy)acetyl)piperazine","2-Chloromaleylacetate","Alantolactone","N1,N10-Dicoumaroylspermidine","Schidigeragenin B","Ectoine","Uridine 2',3'-cyclic phosphate","cis-11,14-Eicosadienoic acid","Kinetin","5-Methoxy-N-isopropyltryptamine","5,7,4'-Tri-O-methylcatechin","5-Hydroxymethyl-2-furancarboxylic acid","Ethoxybenzyl diethylenetriamine","Timolol","NE-100","Simiarenol","Gabazine","Anacardic Acid diene","cis-5,8,11,14,17-Eicosapentaenoic acid","Picrasin G","Picrasin E","3-ethylphenyl Sulfate","DY-9760E free base","hydantoin-5-propionate","cis-7,10,13,16-Docosic acidtraenoic acid","2-Ethylhexyl diphenyl phosphate","N-Myristoyl Lysine","Glucuronic acid sulfate","Prostaglandin E2","5-Hydroxyeicosapentaenoic acid","Norgestimate","Prostaglandin E1","Pilocarpine","Tephrowatsin A","Hydroxyprolyl-Isoleucine","Propylenediamine tetra-acetic acid","Molindone","(10Z)-Nonadec-10-enoylcarnitine","Bisphenol A diglycidyl ether","Soyasaponin Ba","Secobarbital","Soyasaponin Bb","LysoPE(14:1(9Z)/0:0)","Eliglustat","Enpiperate","Sarmentosin","Tirabrutinib","(7Z,9E)-Dodeca-7,9-dienoylcarnitine","LysoPE(15:0/0:0)","2,4,12-Octadecatrienoic acid isobutylamide","Demethoxyencecalin","Lactucin","Doqualast","Hexadecylamine","NINHYDRIN","LysoPC(14:0/0:0)","2-(4-Hydroxyphenyl)naphthalic anhydride","Met-leu-phe","9-Anilinoacridine","Entospletinib","2-(3,5-Dihydroxyphenyl)ethanol sulfate","3-Hydroxydodecanedioic acid","10-Nitrooleate","3-Dehydroretinal","Vindoline","6alpha-Methyl-11beta-hydroxyprogesterone","2-Anthraquinonesulfonyl chloride","Harmane","Methionyl-Proline","Ulipristal acetate","Hexahydrofarnesyl acetone","ADONA","3,3-Difluoro-5alpha-androstan-17beta-yl acetate","Nalmefene","cis-1,2-Dihydro-3-ethylcatechol","2,4,8-Eicosatrienoic acid isobutylamide","1-Hydroxyanthraquinone","(4R)-5-(3',4'-Dihydroxyphenyl)-gamma-valerolactone","Diphenyl phosphate","Cyclo(Pro-Ala)","Acetylfentanyl","(S)-Tetrahydrocolumbamine","Soyasaponin II","Conivaptan","Acetylglycine","Niraxostat","Oleandrose","Procyclidine","3-(Pyrrolidin-2-yl)pyridine","Oxaceprol","Edasalonexent","lithocholic acid","Levofuraltadone","PD 128042","13,14-Dihydro-15-keto-PGE2","Asp-glu","4-P-PDOT","N-Methylflindersine","Batilol","PIP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/20:4(8Z,11Z,14Z,17Z))","3-Amino-9-ethylcarbazole","Kaurenoic acid","Dantrolene","N-(1-Deoxy-1-fructosyl)valine","hyocholic acid","Prostaglandin A2","Clorgyline","Polysorbate 60","Leupeptin","8,8a-Deoxyoleandolide","L-beta-aspartyl-L-glutamic acid","Almonertinib","N(6),O(2)-Dimethyladenosine","Adenosine","3-Deoxyestrone","N-acetyldopamine","histidylalanine","Prostaglandin B1","PIP(16:1(9Z)/18:0)","Drospirenone","Arborinine","trans-epoxysuccinyl-l-leucylamido-(4-guanidino)butane","Linoleic acid","N-Lauroyl Tyrosine","cyclo(leu-pro)","1-Butyl-3-(1-naphthoyl)indole","3-Hydroxytetradecanedioic acid","Fructosyl-lysine","Lobelanidine","Arphamenine B","Glycylprolylhydroxyproline","3'-UMP","Alpinetin","PGP(i-16:0/PGF2alpha)","(E)-3,4-Dimethoxycinnamic acid","L-Phenylalanine","GSK-J4","Violacein","Phenethyl trans-cinnamate","Glycolithocholic acid 3-sulfate","(1R,4S,6R)-6-Hydroxyfenchone glucoside","Cardiospermin","Bis(glycerophospho)-glycerol","9-Methyl Adenine","Dihydro-3-amino-2-(3H)-furanone","Chlophedianol","(Ac)2-L-Lys-D-Ala","PE(P-18:0/0:0)","6-Amino-2-[[3,3-dimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carbonyl]amino]hexanoic acid","Hallactone A","3-Oxostearic acid","N-Acetyl-L-tyrosine","Mesaconine","MG(i-18:0/0:0/0:0)","(E)-Desmethyldoxepin","Xanthine amine congener","Mizolastine","2-Dodecanone","Caudatin","Allopumiliotoxin 267A","2-Deoxyribose 5-phosphate","Gibberellin A3","AdipoRon","N-Undecanoylglycine","Soticlestat","1-Isothiocyanato-6-(methylsulfinyl)hexane","Neuromedin N (1-4)","Taletrectinib","6-Hydroxy-2-(2-carboxylethyl)-2,5,7,8-tetramethylchroman","Butyldecanoate","PA(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/18:1(9Z))","1-Methyl-2-nonyl-4(1H)-quinolinone","trans,cis-Lauro-2,6-dienoyl-CoA","Vinclozolin metabolite M2","Desethylchloroquine","Cyclopeptine","Clindamycin","Bluensidine 6-phosphate","Debromohymenialdisine","Lysyl-aspartyl-glutamyl-leucine","13,14-Dihydro-15-keto-20-ethyl prostaglandin f2alpha","Chaparrinone","Benz(a)anthracene, 9,10-dimethyl-","H-Arg-Lys-OH","Vorapaxar","rac-Acolbifene","DROPROPIZINE","(+-)14(15)-DiHET","2,5-Furandimethanol","2-Propyl-4-ketopentanoic acid","3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine","D-Erythro-dihydrosphingosine","PS(20:4(5Z,8Z,11Z,14Z)-OH(17)/20:4(5Z,8Z,11Z,14Z))","ent-16beta,17-Dihydroxykauran-19-oic acid","Tasimelteon","Digitoxigenin bisdigitoxoside","3-Acetyl-2,5-dimethylfuran","(3E)-4-(3-Acetyl-4,5,7,10-tetrahydroxyanthracen-2-YL)-3-hydroxybut-3-enoic acid","Perseitol","Citraconic anhydride","(x)-1,2-Propanediol 1-O-b-D-glucopyranoside","Datiscetin","Norgestrel","N5-Dinitrophenyl-L-ornithine methyl ester","3-Hydroxypentadecanoic acid","Artemether","5,6-Dihydrouridine","Desogestrel","5-Fluoro-5'-deoxycytidine","Aziridyl benzoquinone","Glucobrassicanapin","3-oxo-2-(2-(Z)-pentenyl)cyclopentane-1-octanoic acid","Pipercide","2-(5-Tetradecenyl)cyclobutanone","N-Myristoyl Proline","Indole-3-carboxaldehyde","6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine","4-HYDROXY-6-METHYLPYRAN-2-ONE","Danegaptide","N,N'-dibenzhydrylethane-1,2-diamine","2-Ethyl-2,5-dihydro-4,5-dimethylthiazole","H-Ile-Ala-OH","(E)-6-Methyl-1-(2-methyl-1-oxo-2-butenyl)-1,2,3,4-tetrahydroquinoline","Dukunolide B","voglibose","1-Phenyl-2-pentanol","Ganoderol B","Glabrin D","Dioctylamine","16-Hydroxypalmitate","N-Stearoyltaurine","8-(3-Chlorostyryl)caffeine","Isopilocarpinic acid","Genistein","Leucyl-leucyl-norleucine","L-Cysteic acid","3-Sulfodeoxycholic acid","Triethylhexanoin","2-(4-(4-Isopropoxybenzyl)-phenylamino) imidazoline","3-Hydroxyquinoline-2-carboxylic acid","H-Gly-Arg-OH","Methyl linoleate","Carbimazole","2,5-Diethyl-3,6-dimethylpyrazine","Androstenone","Acetyl tributyl citrate","Ofloxacin","4-(3-Benzoylpropionyl)morpholine","gamma-Dodecalactone","4-Hydroxy-5-(3',4'-dihydroxyphenyl)-valeric acid 4'-sulfate","H-Leu-Asp-OH","Rolapitant","Heptanoylcarnitine","3-Oxopomolic acid","PGP(20:3(5Z,8Z,11Z)/TXB2)","Phenol sulfate","alpha-glutamylglutamate","Paullinic acid","cilazapril","Ser-Asp","Usaramine","Tombozine","Procainamide 4-hydroxylamine","L-5-Guanidino-2-hydroxyvaleric acid","Pirbuterol","Guanosine 3',5'-cyclic monophosphate","L-Threonine","Cyclopamine","Trimethobenzamide","Kuwanol C","Tridecanedioic acid","2'-deoxyguanosine 5'-monophosphate","Aminocatechol N-acetate sulfate","L-Leucine","Olsalazine","Pyridoxal","Mebeverine","N-Nonanoylglycine","(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein","Danazol","Pentoxifylline","7-Methyloctanoylcarnitine","(-)-Hardwickiic acid","5,6,7,8-Tetrahydro-2-naphthol","cis-11-Eicosenoic acid","3,4-Diphenyltetrahydrofuran","6-Hydroxyoctadecanoic acid","Malachite green","Loperamide","2-Naphthalenesulfonic acid","Cryptotanshinone","(+)-Shikonin","L-Tryptophyl-L-aspartic acid","5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene","Soyasapogenol D","N-Nitrosopiperidine","1-Hexadecyl Lysophosphatidic Acid","4-Methylgallic acid 3-glucuronide","2-Hydroxydocosanoic acid","Cetiedil","Proacacipetalin","threonylphenylalanine","9-Hydroxyellipticine","Macurin","Hexadecanoylpyrrolidine","N-Eicosapentaenoyl Tryptophan","4-(tert-Butyl)benzene-1,2-diol","Curcumol","4-Hydroxycrotonic acid","Brevianamide A","1-(2-(4-Morpholinyl)ethyl)-3-(1-naphthoyl) indole","trans-urocanate","Brevianamide F","(S)-3-Sulfonatolactate","9(S),12(S),13(S)-Trihydroxy-10(E),15(Z)-octadecadienoic acid","Clomifene","Lycorine","3,5-DIETHYL-2-METHYLPYRAZINE","Tamoxifen","Biotin sulfone","Mytilin B","Dibutyl sebacate","Palmitoyl Serinol","Mytilin A","N-(8-Amino-1-carboxyoctyl)-alanyl-proline","TRPM8 agonist WS-3","H-Thr-Leu-OH","[6]-Gingerol","4,8 dimethylnonanoyl carnitine","H-Pro-Ser-OH","PHENPROCOUMON","N-Oleoyl-L-serine","Chlorophene","3,6-Dihydroxypyridine-2,5-dione","Amisulpride","Hydroxysimazine","Ropivacaine","4-(2-(3-(Cyclopentyloxy)-4-methoxyphenyl)-2-phenylethyl)pyridine","9-Hydroxyhexadecanoic acid","N,N-Bis(2-hydroxyethyl)dodecanamide","Acalyphin","(-)-Siccanin","Dextromilnacipran","Oxandrolone","DMCM","Diisodecyl phthalate","H-Ser-Asn-OH","P,P,P',P'-Tetraethyl P,P'-((3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)ethenylidene)bis(phosphonate)","N-Acetyl-leucyl-leucine","Laurocapram","OLODATEROL","10-Ketostearic acid","Citrusin II","Erythromycin","Dorzagliatin","Tryptophyl-Methionine","Mascaroside","Linalyl propionate","Hirsuteine","L-Malate","2-Amino-5-nitrophenol","Adipic acid","3-Hydroxytetradeca-8,10,12-trienoylcarnitine","Juvenile hormone I","N-Methylrosmaricine","alpha,alpha'-Diethyl-4,4'-bis(2-propynyloxy)stilbene","N2-(3-Carboxy-1-oxopropyl)-L-arginine","3'-Amino-3'-deoxythimidine","Chloroquine","21-Deoxycortisol","p-Coumaroylagmatine","Nigerloxin","(+-)5(6)-EET","Triptolide","L-gamma-Glutamyl-L-Isoleucine","Inecalcitol","Glycyrrhetic acid 3-O-beta-D-glucuronide","Eriobofuran","Buccoxime","Carbuterol","Glycohyodeoxycholic acid","L-Glutamic acid","Harmaline","Schottenol","Canrenone","N-Carbamylglutamate","2,3,4,9-Tetrahydro-1H-pyrido[3,4-b]indol-6-ol","N-decanoylglycine","Recainam","6-deoxocastasterone","Niflumic acid","Palmitoleic acid","R121919","2-Aminodipyrido[1,2-a:3',2'-d]imidazole","(S)-3-Octanol glucoside","L-erythro-4-Hydroxyarginine","12-Oxo-phytodienoic acid","Monostearyl maleate","Semagacestat","5-Amino-6-(5'-phosphoribitylamino)uracil","PG(20:4(8Z,11Z,14Z,17Z)/20:3(8Z,11Z,14Z))","Myristoylglycine","delta-Tocotrienol","Vitamin A","2-hydroxystearate","N-Palmitoyl taurine","NZ 419","Homocapsaicin","Thiolactomycin","Lucidumol A","Stearamide","Deoxynivalenol(DON)","Granisetron","S-Hexylglutathione","4-acetamidobutanoate","Phosphonoacetic acid","Cortisone acetate","3-Hydroxylisovalerylcarnitine","2,3-Dihydrofarnesol","Isobutyl benzoate","2-Aminophenoxazin-3-one-8-aldehyde","Oseltamivir","3-(1-Hydroxymethyl-1-propenyl)pentanedioic acid","Mahanimbidine","(10Z)-Heptadec-10-enoylcarnitine","2-Hydroxyglutaric acid diethyl ester","(R)-1-O-b-D-glucopyranosyl-1,3-octanediol","Dapt","Lumisterol","Ergovaline","Creatinine chloride","N-(3-(S)-Hydroxybutyryl)homoserine lactone","Cyclo(his-pro)","Sulpiride","5beta-Pregnan-11beta, 21-Diol-3, 20-Dione","gamma-glutamylhistidine","6-Hydroxypentadecanedioic acid","Hydroxyphenyllactic acid","Glaucarubin","9-Hydroxydecanoic acid","Salicylic acid","Metazocine","Combretastatin A4","(10E,12Z)-9-Hydroxy-10,12-octadecadienoic acid","(3alpha)-Allopregnanolone","Bisnorbiotin","PA(8:0/14:0)","PA(i-19:0/PGD1)","Polyribosylribitolphosphate","H-TRP-GLU-OH","Choline","MG(0:0/i-15:0/0:0)","2,3-dinor-8-iso Prostaglandin F1alpha","D-Tyrosine","Blasticidin S","Dihydroferulic acid 4-O-sulfate","2H-1,4-Benzoxazin-3(4H)-one","CARBETAPENTANE","(E)-2'-Geranyl-3',4',7-trihydroxyflavanone","Monocrotaline","2-Aminomuconic acid semialdehyde","N-Succinyl-L-glutamate 5-semialdehyde","LysoPE(P-18:1(9Z)/0:0)","Ethyl 3-indoleacetate","H-Leu-Ile-OH","L-Alanyl-L-proline","L-Prolylglycine","N-Despyridinyl rosiglitazone","1-Isomangostin Hydrate","3-Deoxypentosone","Asymmetric dimethylarginine","Phenazone","Dolicholide","Gelsemine","3b,4b,7a,12a-Tetrahydroxy-5b-cholanoic acid","Creatinine aspartate","Imidaprilat","Corydaline","Pyroglutamylvaline","Arborine","Erlotinib","Dihydrochalcone","Petroselaidic acid(C18-1T)","L-Aspartic acid","5-Acetonyl-7-Hydroxy-2-Methylchromone","isobutyrylcarnitine (C4)","Gln-Phe","Phloroacetophenone 6'-[xylosyl-(1->6)-glucoside]","Glycidol stearate","3-hydroxylaurate","Ansamitocin P-3","CNQX","Phe-Hyp","N-Palmitoyl-L-serine","Erysotrine","1-Palmitoyl-sn-glycero-3-phosphocholine","5alpha-Cholestan-3-one","Atazanavir","Aldosine","cis-11-Eicosenol (C20:1)","Marinobufagenin","CDP-DG(20:4(5Z,8Z,11Z,14Z)/20:1(11Z))","phenylalanylphenylalanine","7-Methyldodecanoylcarnitine","Limonin glucoside","Neogrifolin","N-Methoxycarbonylanonaine","MeIQx","5,6-Dihydroxyprostaglandin F1a","1-Hydroxypyrene","Cer(d18:0/12:0)","Deoxycorticosterone sulfate","Retrofractamide C","Lipoxin B4","4-Hydroxynonenal glutathione","Lilopristone","Chasmanthin","O-glutarylcarnitine","Elymoclavin","Verbenalin","Aminoglutethimide","2-(2-Aminoethyl)benzenesulfonyl fluoride","Osmundalin","Sphingosine 1-phosphate (d16:1-P)","Cortisol 21-sulfate","1-[10-[3-(Dimethylamino)propyl]phenothiazin-2-yl]ethanol","Triheptanoin","Dehydroabietic acid","Alfadolone","Biotin","GMP","Medica 16","L-Proline","Fendiline","Valinopine","Fluspirilene","Pentobarbital","5,8-Dihydro-6-(4-methyl-3-pentenyl)-1,2,3,4-tetrathiocin","Deoxycorticosterone","Phenazine-1,6-dicarboxylic acid","Cyclonormammein","Imipenem","Alpha-N-Phenylacetyl-L-glutamine","Valylserine","Fructosamine","trans-2-Octenal","4,5-Dihydropiperlonguminine","5-Nitro-2-(3-phenylpropylamino)benzoic acid","N(6)-(Octanoyl)lysine","20-Dihydrodydrogesterone","L-Asparagine","Propyl cinnamate","N-Palmitoyl Lysine","N-Acetylsphinganine","Inolin","Murideoxycholic acid","N-(2-Carboxyphenyl)retinamide","Docetaxol","Dicyclomine","Idelalisib","5-hydroxyindole thiazolidine carboxylate","N-Lauroyl Methionine","Ginkgolide C","Histidylcysteine","Morin","Anastrozole","N-Arachidoylethanolamine","Alanylserine","Clocapramine","(4-Methoxynaphthalen-1-yl)(1-pentyl-1H-indol-3-yl)methanone","Ginkgolide B","Cambendazole","(6Z)-Pentadec-6-enoylcarnitine","Cyclo(L-Phe-L-Pro)","4Z,7Z,10Z-Octadecatrienenitrile","3-Hydroxyisovalerylcarnitine","2-[4-[3-(2-Chlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethyl acetate","2-Ethyl-2-Hydroxybutyric acid","triacetin","(5Z,8Z)-1,5,8-Heptadecatriene","Bimakalim","N-(13-Methyltetradecyl)acetamide","gamma-Sanshool","Guanosine","2-Amino-3,7,8-trimethylimidazo(4,5-f)quinoxaline","Cyclic N-Acetyl-D-mannosamine","N-Desmethyl Sildenafil","fluoxymesterone","Elgodipine","Macimorelin","Hydroxyprolyl-Tryptophan","Dioscoretine","Berzosertib","Hexadecanedioic acid","N-Myristoyl Glutamic acid","7alpha,27-Dihydroxycholesterol","S-3-oxodecanoyl cysteamine","2,4-Di-tert-butylphenol","PROADIFEN","Cilazaprilat","Cyclofoxy","Isorhynchophylline","4'-Hydroxycilostazol, trans-","2-Hexanoylfuran","Guanfu base A","Camonagrel","Morphine-6-glucuronide","3-Sulfobenzoic acid","gamma-L-Glutamyl-gamma-L-glutamyl-L-methionine","2-Amino-2-norbornanecarboxylic acid","Leucomalachite green","(9Z)-12,13-Dihydroxy-9-octadecenoic acid","Glu-Phe","11-oxohexadecanoic acid","2-Aminobenzylstatine","MeTRH","Pindolol","Jamaicamide C","Isocurcumenol","3-Hydroxyoctanedioic acid","Huperzine B","N-Linoleoyl Isoleucine","MG(0:0/i-21:0/0:0)","cis-3-Hexenyl phenylacetate","2-[(pyridin-2-yl)formamido]acetic acid","Dulcitol","2,4-Diamino-6-nitrotoluene","5-phospho-beta-D-ribosylaminium(1-)","MEOBENTINE","gamma-Glutamylproline","Pyridinoline","gamma-Glutamyl-methionine","Lipoyllysine","Futibatinib","Cerulenin","Crotethamide","4-Dimethylaminoantipyrine","Phe-Lys","Pumiliotoxin 251D","N-Hydroxy-meIQX","Carbanilide","N-Eicosapentaenoyl Valine","Glu-ala","Fumagillol","Isatoribine","MG(0:0/i-13:0/0:0)","Paxalisib","H-Ser-Tyr-OH TFA","Oleyl Acetate","Phenylpyruvic acid","Myristelaidic acid","H-Thr-Gln-OH","LPE(16:0)","3-Oxo-7-hydroxychol-4-enoic acid","Drotaverine","Glycylproline","Linalyl formate","3-Methyl-2-cyclohexenone","Lysylalanine","17alpha-Hydroperoxyprogesterone","Phloretin","Triethylamine","beta-Zearalenol","Sageone","1-hexanoyl-2-hydroxy -sn-glycero-3-phosphocholine","3,5-Bis(2-fluorobenzylidene)-4-piperidone","Dienestrol","Senkyunolide H","Norfloxacin","D-(+)-Glucosamine","3,5-Dihydroxyphenylvaleric acid sulfate","5alpha-Pregnan-3beta,20beta-diol 20-sulfate","Milciclib","Avitinib","15-(4-Iodophenyl)-3,3-dimethylpentadecanoic acid","Steryl sulfate","2-Hydroxy-3-methoxy-6beta-naltrexol","Sulfosuccinic acid bis(2-ethylhexyl) ester","4-Aminobenzoic acid","L-Seryl-L-lysine","Lycoramine","10H-Pyrido(3,2-b)(1,4)benzothiazine, 10-(2-(dibutylamino)ethyl)-","SM(d19:1/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","Fluoranthene","1-Methyl-4-phenyl-2H-pyridine","Stavudine","Beta-Zearalanol","4',6-Dichloroflavan","Hept-4-enedioylcarnitine","Piperine","2',3'-cGAMP","(6aR-cis)-6a,11a-Dihydro-10-(3-hydroxy-3-methylbutyl)-6H-benzofuro[3,2-c][1]benzopyran-3,9-diol","DEHP","Mecoprop","Alpha-ketoisovaleric acid","TG(16:1(9Z)/14:0/20:3n6)","Questiomycin A","Masoprocol","Encecalin","gamma-Aminobutyric acid cetyl ester","H-Arg-Pro-OH","Grifolic acid","Encainide","(+)-Isomenthone","N-Lauroyl Serine","3-Hydroxy-1-(4-hydroxyphenyl)propan-1-one","Butanoic acid, [(diethoxyphosphinyl)oxy]methyl ester","5-Hydroxyhexadecanoic acid","Phenacylamine","Dodecylamine","Dracorhodin","Epitestosterone","Volinanserin","2'-Deoxymugineic acid","N-Docosahexaenoyl Glutamine","3-(2,4-Dimethoxybenzylidene)anabaseine","Trietazine","Decahydro-6-(phosphonomethyl)-3-isoquinolinecarboxylic acid","H-Val-Leu-OH","Arotinoid acid","Glycerophosphoric acid","Betaine","5-Methylurapidil","Mitoxantrone","Lanthionine ketimine","3-Methyl-1-phenyl-3-pentanol","Voxtalisib","Lotaustralin","alpha-IONOL","5-Hydroxy-3,4-dimethoxybenzoic acid","Ginsenoside Rh3","5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate","Enrofloxacin","Pipernonaline","Antirhine","Abacavir","9-Hydroxybenzo[a]pyrene-4,5-oxide","Nb-Stearoyltryptamine","Rhodamine B","Dibehenin (C22:0)","Phosphoserine","O-methylmalonylcarnitine","(5Z,8Z,11Z,14Z,19S)-19-Hydroxy-5,8,11,14-eicosatetraenoic acid","Yakuchinone A","Alfuzosin","Metaphit","5-Amino-6-(4-hydroxy-2-butenoyl)-2,2-dimethyl-4-chromanone","Portulacaxanthin I","3-Hydroxyisovaleric acid","N,N-Dimethyl-L-histidine","N-Benzylpalmitamide","Hydrocortisone","Verubulin","Clomoxir","15-(4-Iodophenyl)pentadecanoic acid","Carazolol","Phenolphthalin","Didesmethylsibutramine","Shanziside","PS(14:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))","DHAP(O-18:0)","Geissoschizine methyl ether","Pulcherriminic acid","Docosatetraenoyl Ethanolamide","Disuccinimidyl suberate","Cinegalline","Ethylhydrocupreine","PA(8:0/10:0)","Codeine","PS(20:4(5Z,8Z,11Z,14Z)/14:1(9Z))","Testosterone glucuronide","cis-13-Octadecenoic acid","17beta-Trenbolone","14-Methylpentadecanoic Acid","Glu-Pro","Tozasertib","Anthranilic acid","Prolylleucine","Allantoin","phenytoin","Jalapinolic acid","trans,trans-Farnesyl phosphate","L-Norvaline, L-arginyl-3,4-didehydro-5-phosphono-, (3Z)-","MG(i-15:0/0:0/0:0)","Enalapril","Cytochalasin Ppho","L-Saccharopine","Furfuryl octanoate","Droperidol","4,7-Dihydro-5-(4-methyl-3-pentenyl)-1,2,3-trithiepin","6-Methyluracil","Muscone","Castanospermine","Carvacrol methyl ether","T2 Triol","2-Oxosuberate","N-Lauroyl Cysteine","5-Formiminotetrahydrofolic acid","Chloral hydrate","1-Dodecanesulfonic acid, 1-hydroxy-3-oxo-","2-(2-Methoxyphenyl)-1-(1-pentylindol-3-yl)ethanone","Eleganin","Cinnamyl Alcohol","iso-OMPA","2-Hydroxyphenanthrene","Tetrahydro-beta-carboline","alpha-Pinene oxide","5beta-Pregnan-3alpha-ol-20-one sulfate","4-Hydroxyphenylglyoxylate","N-Arachidonoyl Glutamic acid","cis-6,7-Epoxy-octadecanoic acid","6-Paradol","7,3',4'-Trihydroxyisoflavone","Miraxanthin-V","(1R,2R,4S,6R)-2,6-Fenchanediol 2-O-b-D-glucoside","Amquinate","Prostaglandin F1alpha","Serotonin","Aminomethanesulfonic acid","Roridin A","p-Cresyl sulfate","Coronaridine","MEMANTINE","alpha-glutamyltyrosine","1,2,3,4-Tetrahydro-b-carboline-1,3-dicarboxylic acid","Tosedostat","Panaxatriol","SM(d19:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","L-Arginine, L-alanyl-","2-Hydroxyacetophenone","4-(beta-D-Glucopyranosyloxy)-3-methoxybenzoic acid","N-Palmitoyl Arginine","Indolelactic acid","N-Acetylserotonin","4-[[2-(4-Cyanoanilino)pyrimidin-4-yl]amino]-3,5-dimethylbenzonitrile","Aprobarbital","Ibutamoren","Isofloxythepin","Melatonine","Methyl Chenodeoxycholate","L-Leucyl-L-Valine","Mapracorat","Gramicidin S","(+/-)-Huperzine A","trans-Zeatin riboside","Nicotinamide riboside chloride","cis-7,10,13,16,19-Docosapentaenoic acid","Dopamine 4-sulfate","TETRADECANAL","L-Alanyl-L-prolylglycyl-L-prolyl-L-arginine","Furagin","Rigin","cis-resveratrol 2-C-glucoside","Gallic acid","9,10-Dihydroxystearic acid","3-Mercaptolactic acid","Tetradecanoic acid","DG(8:0/i-15:0/0:0)","16-Dehydroprogesterone","2-Phenylethanol","Mephenytoin","Nerandomilast","Kanokoside A","(Z)-Resveratrol 4'-glucoside","H-Gly-Lys-OH","N-Lauroyl Arginine","Nevirapine","Veraguensin","2-(Pyrrolidin-1-yl)cyclohexyl (3-(pentyloxy)phenyl)carbamate","D-erythro Lysosphingomyelin (d18:1)","17-Methyloctadecanoic acid","Decursinol","4-[4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-pyridin-4-ylimidazol-2-yl]but-3-yn-1-ol","Promazine 5-sulfoxide","5-(Tetrahydro-2H-pyran-4-yl)-1H-indole","3-deoxy-D-arabino-heptulosonate-7-phosphate","Pentadecan-8-one","Carbonyl cyanide chlorophenylhydrazone","Methyl stearate","Ribostamycin","cis-13,16-Docosadienoic acid","Songorine","Nateglinide","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid","Fluasterone","Emorfazone","8-Methylthiooctanaldoxime","O-Arachidonoyl ethanolamine","MG(0:0/14:1(9Z)/0:0)","Cortisone","trans-3,4-Dihydro-3,4-dihydroxy-7,12-dimethylbenz[a]anthracene","Nicotinuric acid","(1-(5-Fluoropentyl)-1H-indol-3-yl)(naphthalen-1-yl)methanone","Hydroxytyrosol 4'-sulfate","Glycerol tripropanoate","Pomolic acid","Lys-trp","17-Octadecynoic Acid","Purine","N-Acetylquestiomycin A","Cyclo(-Leu-Phe)","Ac-Pro-Gly-Pro-OH","Finasteride","Promethazine","(-)-Carvyl acetate","Allyl-alpha-ionone","cyano-alanine","Lucidenic acid H","Heptyl 4-hydroxybenzoate","Norharman","L-Glycyl-L-Tryptophan","Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","AR-9281","Ethylmalonic acid","Dehydrodiisoeugenol","Methotrexate","Allocholic acid","Glutamate carbon","trans-2-Heptenal","L-ALANYL-L-TYROSINE","L-Methionine","Endoxifen","N-Lauroyl Histidine","trans-Isomyristicin","4-(4-Fluorophenyl)-3-(4-hydroxy-3-methoxyphenoxymethyl)piperidine","Phthalic acid mono-2-ethylhexyl ester","(1xi,2xi)-1-(4-Hydroxyphenyl)-1,2,3-propanetriol 2-O-beta-D-glucopyranoside","(3E)-Glutaconylcarnitin","Veratridine","Eldoral","Oridonin","3-beta-D-Glucopyranuronosyloxy-5-methylisoxazole","Hycanthone","Digoxigenin bisdigitoxoside","1,5-Dioxo-7abeta-methyl-3aalpha-hexahydroindane-4alpha-propionic acid","6-Hydroxymelatonin","Methyl butyrate","7-Methoxy-1,2,3,4-tetrahydroacridin-9-amine","o-Desmethyl ranolazine","8-Hydroxyhexadecanoic acid","Momordin IIc","H-Val-Lys-OH","Zucapsaicin","Pyridoxamine","(2E)-hexenedioylcarnitine","1-Iodopentane","Rilmenidine","Nisoldipine","ser-gly","Aurachin B","Pnu 103017","Clidinium","Halobetasol","Oxypaeoniflorin","Citronellyl propionate","Phenyl beta-D-glucopyranoside","L-Glycyl-L-Valine","Proglumide","Glutaminylserine","Sugiol","Demethylphylloquinone","13-Hydroxydocosanoic acid","Kyotorphin","6-Fluoro-1-methyl-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid","Dibutyl phthalate","Amrinone","Dipfluzine","Ursodeoxycholic acid","Aegeline","Bis(2-hydroxy-3-tert-butyl-5-methylphenyl)methane","Eltoprazine","Pregnanetriolone","L-Dihydroorotic acid","Morphiceptin","5-Hydroxy-6-methoxyindole glucuronide","Isobrucein A","Diethyl 4-aminobenzylphosphonate","N-Lauroyl Aspartic acid","D-Phe-Pro-Arg-CH2Cl","1,2,5,6-Tetrahydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one","N-Docosahexaenoyl Lysine","3-Hydroxy-N-((S)-2-oxotetrahydrofuran-3-yl)octanamide","Inositol","Bortezomib","1,5-Dimethyl citrate","Enterocin 900","Indole-3-acetaldehyde","N-formylanthranilic acid","2-Hydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one","Aloxistatin","sucrose","5,6-Dihydroxy-3-methyl-2-oxo-1,2-dihydroquinoline","Dixyrazine","Medroxalol","Nimodipine","(2R,3R,4R,5S)-2-(Hydroxymethyl)-1-nonylpiperidine-3,4,5-triol","cis-3-Hexenyl cis- 3-hexenoate","4-Guanidinobutanal","cyclic 6-Hydroxymelatonin","Hexanethioic acid S-propyl ester","Jervine","6alpha,9-Difluoro-11beta-hydroxypregn-4-ene-3,20-dione","Laflunimus","Flunarizine","20-Carboxyleukotriene B4","3-Oxotetradecanoic acid","4-(Methylthio)-1-butanol","D-Ribo-phytosphingosine","Thonzylamine","Phenetole","Alkaloid AQC2","Pro-Pro-Phe","Leucomethylene blue","Sterebins A","Dihydroevocarpine","Bersacapavir","Benzyltiglate","2,6,10-Trimethylundecanoic acid","3-Hydroxy-2-methylbutyric acid","Disperse red 11","16alpha-Hydroxyprogesterone","Clozapine","Capivasertib","Bryonolic acid","Etonogestrel","Lubiprostone","1-Stearoyl-sn-glycero-3-phosphocholine","Nuclomedone","Ondansetron","Histidylleucine","Trapidil","Salmeterol","2,4,5-Trimethylbenzaldehyde","5alpha-Androstan-3alpha,17beta-diol disulfate","(9Z,12Z)-3-hydroxyhexadecadienoylcarnitine","NIVALENOL","Mesoridazine","Cambinol","3,7,11,15-Tetramethyl-1,6,10,14-cetene-3-ol","Nicotinic acid riboside","Indolylacryloylglycine","Lunarine","L-Histidine","Indoleacetyl glutamine","(卤)-Amiflamine","dl-3-hydroxynorvaline","MG(0:0/20:1(11Z)/0:0)","SKA-31","N-Desmethyl Galanthamine","Aricine","Dithiobiuret","TG(16:1(9Z)/15:0/18:3(6Z,9Z,12Z))","Citrulline","N-Methylcytisine","H-Asn-Arg-OH","1,5-Naphthalenediamine","Hydroxypyruvic acid","LINOLEOYLETHANOLAMIDE","MG(0:0/20:3(5Z,8Z,11Z)/0:0)","Carboprost","N-formylphenylalanine","Tolylacetonitrile","Lycobetaine","N-Ethyl-N'-(3-(3-(piperidinomethyl)phenoxy)propyl)urea","DL-Phenylmercapturic acid","Capryloylglycine","SM(d20:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","N-(6-Aminohexyl)-1-Naphthalenesulfonamide","Neopterin","Mesembrenone","Brassicasterol","Perfluoroheptanoic acid","H-Ser-Ser-OH","5-(3-Methyl-1-triazeno)imidazole-4-carboxamide","Denifanstat","Tiapride","(3E)-3,7-Dimethyl-3-octene-1,2,6,7-tetrol","Phe-Pro-Ile","L-Pipecolic acid","Licoricesaponin G2","Niacin acid VB3","Tetrahydrothiophene-3-ol 1,1-dioxide","trans-Benzylideneacetone","Cumi-101","Phenoxyethanol","MG(i-14:0/0:0/0:0)","Arginylglutamine","Hypophyllanthin","alpha-D-GalpNAc-(1->3)-[alpha-L-Fucp-(1->2)]-D-Galp","Longistylin A","EPIISOPILOTURINE","13-Apo-beta-carotenone","5,8,11-Eicosatriynoic Acid","7-Benzylidenenaltrexone","5-Hydroxylysine","Fexofenadine","Ethylene brassylate","Pregnenolone 16alpha-carbonitrile","Loxoprofen","5-Methoxyresorcinol","gamma-Glutamylphenylalanine","LysoPE(0:0/18:2(9Z,12Z))","Isophorone","Oleamide","Methylergonovine","cis-2-Dodecenoic acid","Heliotrine","Cinacalcet","Kainic acid","Dimetacrine","Pyrenedecanoic acid","Myxalamid C","Etodolac","Hydroxynalidixic acid","S-carboxyethylcysteine","Hamaudol","Pristanic acid","18alpha-Glycyrrhetinic acid","Erucic acid","L-Ornithine","Shikimic acid","Deacetyldiltiazem","Metixene","Buclizine","Tetrahydroxymethoxychalcone","Tiazofurin","Mesterolone","Flazin","Damascenone","2-Methoxycyclohexa-2,5-diene-1,4-dione","Tyr-Thr","(25R)-26-Hydroxycholest-4-en-3-one","4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde","Ro 20-1724","D-erythro-Sphingosine","5Alpha-Androstan-17-Beta-Ol-3-One","Glycylhydroxyproline","Mupirocin","Dihydrotachysterol","Ceranapril","Vemlidy","2,3-Secoporrigenin","3,5-Dihydroxyphenylglyoxylate","7-keto Cholesterol","Bis(2-ethylhexyl) hydrogen phosphate","3'-Adenylic acid","5,5'-DIMETHYL-2,2'-DIPYRIDYL","H-Phe-Ile-OH","5-Oxoheptyl glucosinolate","Benzenesulfonyl fluoride","(+)-Lucidenic acid B","Phe-Thr","Tigloidine","Thiopental","Dendrobine","thymol sulfate","Sphingosine 1-phosphate (d19:1-P)","Prolylhistidine","1,3-Dioctanoyl glycerol","N-Lauroylglycine","Triflubazam","12-Oxo-10(E)-dodecenoic acid","Gabexate","Spenolimycin","Allopurinol","2-Amino-1,7,9-trimethylimidazo[4,5-g]quinoxaline","Heptadecanal","Uric acid","DICYCLOHEXYLCARBODIIMIDE","Cyclopiazonic acid","(1R)-1-Amino-3-sulfanylpropane-1-sulfinic acid","2-Hydroxycinnamic acid","2-Hydroxydecanedioic acid","Benazepril","Benzo[C]cinnoline","1,2-Dihydrostilbene","Talatisamine","Daidzin","Dodecanamide","Sebacoyl-L-carnitine","Landiolol","H-Arg-Asp-OH","Sisomicin","Methylsuccinic acid","strychnine","Tetradecanedioic acid","21-Deoxycortisone","Deoxyribose triphosphate","Methyl 16-hydroxyhexadecanoate","Sedoheptulose 1,7-bisphosphate","Etimicin","Triethylene glycol","(9E,12Z)-10-Nitro-9,12-octadecadienoic acid","MIF-1","Cysteinyl-Lysine","10-(2-(Diethylamino)propyl)-10H-pyrido(3,2-b)(1,4)benzothiazine","Butaxamine","2-Methyl-5-nitroimidazole","Vephylline","2-Hydroxydecanoate","Paracetamol sulfate","(2S)-2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine","Threonylserine","Hexylresorcinol","H-Pro-Phe-OH","colistimethate","Bindarit","SM(d18:1/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","Silymarin","10-Deoxymethymycin","Sclareolide","N-Chloroacetyl-2,6-diethylaniline","Vomicine","8-Isoprostaglandin F2a","Fluzinamide","Tirasemtiv","Sulfotyrosine","Prenyl glucoside","Guanine","4,4'-Diapo-zeta-carotene","Onocerin","hexadecanedioic acid mono-L-carnitine ester","Malabaricone C","17-Methyltestosterone","2-Palmitoylglycerol","Propylene glycol monostearate","Glutamic acid glutamate","Selegiline","Civetol","DIHYDROPHASEIC ACID","2,4,6-Triethyl-1,3,5-trithiane","L-Phenylalanyl-L-tyrosine","Amfenac","Vasicinol","Glycylleucine","Pseudolycorine","Lys-Arg","Latrunculin A","Dibenzoylmethane","Levalbuterol","(+)-calycanthidine","Procarbazine","Glabrol","3,4-Dimethyl-5-propyl-2-furanundecanoic acid","Isoamyl isothiocyanate","3beta-Fluoro-5beta-pregnan-20-one","b-Dihydrotetrabenazine","Glycocholic acid","N-Palmitoyl Tryptophan","Lithocholyltaurine","N-Acetyl-S-allyl-L-cysteine","Tucatinib","1-Naphthalenesulfonic acid, 4-hydroxy-3-nitroso-","Hexadecyltrimethylammonium","5-Carboxymethyl-2-hydroxymuconate semialdehyde","Glutamyl pyruvate","9,12-Octadecadiynoic Acid","Ajugarin I","9-Oxononanoic acid","L-Lysyl-L-leucine","N-Vanillyloctanamide","4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid","Dibutyl adipate","Ser-Gln","Taurohyocholic acid","Senecivernine","2,5-Dimethoxy-N-((2-methoxyphenyl)methyl)benzeneethanamine","Benzofuran","Garcinone E","Agomelatine","Rapalexin A","Monobutyl phthalate","Garcinone C","(2R,3R)-3-Methylglutamyl-5-semialdehyde-N6-lysine","Hydroxy-Gamma-Sanshool","Rapanone","Granilin","Dihydrogeranylgeranyl diphosphate","Nordentatin","3-Methyl-1,2-cyclohexanedione","2,3-Bis(3,4-dihydroxyphenyl)butanedioic acid","11-oxooctadecanoic acid","Bazedoxifene","Goralatide","7-Methyluric acid","Roxithromycin","7beta-Hydroxycholesterol","Tiagabine","M-Amidinophenyl-3-alanine","Semaxinib","Bapta","N-Carbamoyl glucuronide lorcaserin","Hendecanoic acid","Arginyl-glycyl-aspartyl-valine","Spathulenol","Peiminine","Gosogliptin","Meisoindigo","2-(4-(Methylcarbamoyl)-1H-pyrazol-1-yl)-9-pentofuranosyl-9H-purin-6-amine","Biocytin","Thiodiacetic acid","Kirenol","(E)-3-(4-Tert-butylphenylsulfonyl)acrylonitrile","N-D-Glucosylarylamine","Tridodecylamine","N-Docosahexaenoyl Aspartic acid","Benzyl butyl phthalate","Glycohyocholic acid","Dihydromaleimide beta-D-glucoside","Prulaurasin","Ethyl tridecanoate","4-Oxofenretinide","22-Hydroxydocosanoic acid","16-Methyloctadecanoic acid","Phenylglyoxal","oleoyl ethanolamide","Coenzyme Q2","Perindoprilat","phenylalanylserine","Amastatin","Trans-Zeatin","Chalcomycin","D-Glucaric acid","1-Tert-butyl-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine","Naltrexone","(R)-2-O-Sulfolactate","Safranal","Tridecanoylglycine","Trifluoroacetic acid","LysoPA(22:1(13Z)/0:0)","Axitinib","3-Methyl-1-(2,4,6-trihydroxyphenyl)-1-butanone","Dihydrocubebin","Agmatine","alpha-Ketoglutaric acid","Isostearic acid","Fenretinide","Psicofuranine","1-Oxa-2-oxo-3-methylcycloheptane","Anhalonidine","Prednisone","Flobetair","Apocholic acid","Cetirizine","Ganolucidic acid E","Luprostiol","Ganolucidic acid B","3,5,6-Trihydroxy-5-(hydroxymethyl)-2-methoxy-2-cyclohexen-1-one","Diosbulbin D","(9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate","dTMP","Lucideric acid A","2-(4-Chlorophenyl)-3-phenyl-3-(2-pyridinyl)acrylonitrile","2, (5alpha)- Androsten-17beta-ol","trans-Aconitic acid","L-Alanyl-L-tryptophan","Arginylarginine","H-Val-Glu-OH TFA","Cystine","1H-Pyrazolo[3,5-C]pyridine","Octanamide","(5Z,8S,9E,11Z,13E,15S)-8,15-Dihydroxy-5,9,11,13-eicosatetraenoic acid","Pandamarilactone 31","PA(i-14:0/6 keto-PGF1alpha)","Phorbol","N,N'-Diacetylbenzidine","Triethanolamine","Blonanserin","Methoxamine","Atipamezole","Withaferin A","N-Dodecanoyl-N-methylglycine","Ilicifolinoside A","Nodosin","AMBRETTOLIDE","Prolylhydroxyproline","9(S)-Hydroxy-10E,12Z,15Z-octadecatrienoic acid","Cholesterol","Pyrogallol","3-Hydroxynonanoic acid","5-Pentadecylresorcinol","5'-Phosphoguanylyl-(3',5')-guanosine","Tenuazonic acid","Leukotriene B4","Asn-Trp","6-hydroxyhexadecanoic acid","2-Hydroxyhexadecanoic acid","Parthenolide","beta-Amyrenonol","Emedastine","11-Dehydrocorticosterone","Quinapril","Piritrexim","2,6-Di-tert-butyl-4-hydroxymethylphenol","Promazine","Ozanimod","12-hydroxystearic acid","Inosinic acid","H-Ser-Glu-OH","hydroxymatairesinol","MG(i-20:0/0:0/0:0)","MG(0:0/19:0/0:0)","Hydrocortisone caproate","alpha-Isopropylmalate","Kuwanon E","Kuwanon D","Octyl gallate","Steviobioside","8-Hydroxy Mirtazapine","N-Myristoyl Glutamine","5-Hydroxyprimaquine","9-Hydroxyoctadecanoic acid","Perfluorobutyric acid","N-Octanoyl-L-homoserine lactone","Valrocemide","Prasugrel","Neodunol","1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one","Dihydromonacolin L acid","Lysylproline","17alpha-Estradiol","Bisphenol A dimethacrylate","Dipentyl phthalate","Ile-Ile-Ile-Pro","4-Dodecylbenzenesulfonic acid","Pi-Methylimidazoleacetic acid","Fuberidazole","alpha-Glutamyl-Histidine","PIPERONYL ACETATE","Terminaline","N-Eicosapentaenoyl Glutamic acid","5,9:6,9-Diepoxy-3-megastigmene","6-Isopropyl-9-methyl-1,4-dioxaspiro[4.5]decane-2-methanol","Vincamine","2-Deoxystreptamine phospahte","L-Dihydroanticapsin","1-Linoleoyl-sn-glycero-3-phosphorylcholine","Diallyl Trisulfide","Glycochenodeoxycholate-3-sulfate","Disopyramide","beta-D-3-Ribofuranosyluric acid","12-HYDROXYHEXADECANOIC ACID","11-Nitro-1-Undecene","Thiomorpholine 3-carboxylate","Benazeprilat","Cilastatin","STO-609","2-Hydroxyphenethylamine","PC(P-16:0)","Homosalate","Ethylphosphorothioic acid","Heptadecanoic acid","Repaglinide","2-Amino-7-methoxy-3H-phenoxazin-3-one","3-Hydroxybenz[a]anthracene","(R)-Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester","PG(PGF1alpha/16:1(9Z))","Oleandolide","4-Fluoro-3-phenoxybenzoic acid","Terpendole E","9-Hydroxy-10-O-D-glucuronoside-12Z-octadecenoate","4-Chloro-17alpha-methyl-17beta-hydroxy-4-androsten-3-one","2,6-Di-tert-butyl-4-ethylphenol","Palmitoylglycine","Chitobiose","cyclo(pro-val)","Fargesone A","3,5-Dihydroxybenzoic acid","Sinapaldehyde","Leu-Gly-Pro","Simufilam","(-)-Sparteine","3-hydroxy-cis-5-octenoylcarnitine","Acetylisoniazid","Ethyl L-tyrosinate","Metyrapone","5-(N,N-Hexamethylene)amiloride","16-Mercaptohexadecanoic acid","Trypanothione","Dibenzyl disulfide","Bempedoic acid","1-Naphthyl phosphate","N-Acetyl-beta-Asp-Glu","Pergolide","Dihydrojasmone","Gatifloxacin","Momordin Iia","Nalidixic acid","N,N-Dimethyldodecylamine","Arachidonyltrifluoromethane","delta9-Tetrahydrocannabinol hemisuccinate","Withanolide A","Resolvin D1","N-Myristoyl Arginine","N-Glycolylneuraminic acid","2-Aminoacridone","Stizolobate","Balsalazide","2,3-Dehydro-2-deoxy-N-acetylneuraminic acid","Desethyl-N-acetylprocainamide","Stypandrol","Acetyl-maltose","Quinoline-4-carboxylic acid","1-Monomyristin","Dipeptide 2","(+/-)-Isobutyl 3-methylthiobutyrate","H-Ser-Pro-OH","Taselisib","Starch acetate","Cytochlor","1-(1-(Tert-Butoxycarbonyl)piperidin-4-yl)azetidine-3-carboxylic acid","Dinocton 6","2-(Acetylamino)octanoic acid","4-Azaspiro[bicyclo[2.2.2]octane-2,2'-[1,4]oxazolidine]-5'-one","Triacetate","Xanthine","Pactimibe","L-A-HYDROXYGLUTARIC ACID DISODIUM)","DL-Leucyl-DL-phenylalanine","3-Hydroxy-beta-ionone","Cordycepin","demethylmaprotiline","Decanoylcarnitine","1-Stearoyl-rac-glycerol","Sophoramine","L-Glutamine","Pyrophosphoric acid","13,14-Dihydro-15-oxoprostaglandin F2alpha","1-Stearoylglycerophosphoserine","Dolichol phosphate","norfentanyl","N-Nitrosotomatidine","trans-p-Coumaric acid 4-glucoside","Fluorocarazolol","5alpha-Androstane-3beta,17beta-diol","Octadecanamine","H-Gly-Gly-Gly-OH","non-6-enal","Oleyl alcohol","Gymnodimine","MG(0:0/20:2(11Z,14Z)/0:0)","Linoleic acid amide","Cetylpyridinium","5-hydroxyhexanoic acid","Allyl-Phenylacetat","Fosmidomycin","Indoxyl sulfate","all-trans-4-Oxoretinoic acid","(S)-10-Hydroxycamptothecin","CGP72383","Adosterol (incomplete stereochemistry)","Panaxydol chlorohydrin","7-Hydroxymethyl-12-methylbenz[a]anthracene","Undecanedioic acid","Bulaquine","4-Methylthiobutanaldoxime","trans-vaccenic acid","Irbesartan","N6,N6-Dimethyladenosine","Indole-3-butyric acid","Echimidine","Phyllanthin","3-hydroxylauroylcarnitine","1,2,3,4-Tetrafluorobenzene","13alpha-Hydroxylupanine","Zinterol","Threoninyl-Valine","(1R,2S,4R,5S)-2,5-Fenchanediol 2-O-b-D-glucoside","Acridine","Esculentoside B","Acridine Orange Base","Phthalic anhydride","9,10-Dihydroxy-12,13-epoxyoctadecanoate","Todralazine","9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione","Lysylcysteine","N-(2-Hydroxyethyl)ethylenediaminetriacetic acid","Denopamine","Valproic Acid","Asn-Leu","Canthin-6-one","Saxagliptin","Mopidamol","(R,R)-(+)-Hydrobenzoin","N-Formyl-Met-Leu-Phe","(3beta,22E,24R)-3-Hydroxyergosta-5,8,22-trien-7-one","3b-hydroxy-5-cholenoic acid","His-Pro","1-Decanoyl-2-Hydroxy-sn-Glycero-3-Phosphatidylcholine","DL-DIHYDROZEATIN RIBOSIDE","Momordenol","1-[1-(1-Benzothiophen-2-yl)cyclohexyl]piperidine","4-O-Methylascochlorin","Salirasib","Hydroxyectoine","Pregnanetriol","7,8-Didehydro-beta-micropteroxanthin","Tetracosanedioic acid","Acalabrutinib","N-acetylmethionine sulfoxide","2,8-Quinolinediol 2-sulfate","6-Amino-9-benzyl-2-(2-methoxyethoxy)-9H-purin-8-ol","METESIND","Ribociclib","8-Cyclopentyl-1,3-dipropylxanthine","Riboflavin","MeAIB","Histidylhistidine","Eicosapentaenoic acid ethyl ester","2,5-Dioxopyrrolidin-1-yl quinolin-6-ylcarbamate","N-Feruloylserotonin","Nigakinone","7-Hydroxyflavone","Loureirin A","flufenamic acid","Telocinobufagin","Isoindolinone","Kukoamine A","6-Hydroxyhexanoic acid","PS(14:1(9Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))","5-O-Methylembelin","Muricinine","Paxilline","16,17-Epoxyprogesterone","Rolofylline","3-Hydroxyanthranilic acid","Larsucosterol","Imidocarb","Dehydropipernonaline","Thiochrome","3-Hydroxypyridine sulfate","Tributyrin","cis-7,10-Hexadecadienoic acid","1,4,7,10,13,16-Hexaoxacyclooctadecane","Sclareol","Hexahydro-6,7-dihydroxy-5-(hydroxymethyl)-3-(2-hydroxyphenyl)-2H-pyrano[2,3-d]oxazol-2-one","Nupharamine","2-(4-Morpholinyl)-8-phenyl-4H-1-benzopyran-4-one","DL-Serine","2-Methyl-4-propyl-1,3-oxathiane","Prostaglandin D2 Ethanolamide","Isoetharine","1-Linoleoyl-rac-glycerol","Dihydrocapsaicin","N-formylmethionine","Cysteinyl-Phenylalanine","(E)-2-Hexenyl hexanoate","Eucalyptone","Cinchophen","Vitamin D2","Dehydrosoyasaponin I","H-Tyr-Gln-OH","Tyrosylalanine","Prostaglandin F3alpha","Efavirenz","Conjugated linoleic acids (CLA)","Cytochalasin B","Linagliptin","DG(24:0/14:1(9Z)/0:0)","Coumarin 30","H-Tyr-Gly-OH","Tetradecanoylcarnitine","Desmethylsibutramine","SR2640","6-[4-(Carboxymethyl)-2-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","Benzenebutanesulfonic acid, 3-phenoxy-alpha-phosphono-, (alphaS)-","OR-1896","Polyporusterone A","4-Hydroxycyclohexanecarboxylic acid","N,N-Dimethylsphingosine","Maculosin","12-O-Retinoylphorbol-13-acetate","N-acetylmethionine","(2s)-5-Oxopyrrolidine-2-carbaldehyde","1-dodecanoyl-glycero-3-phosphate","Dutasteride","N-Palmitoyl Alanine","k-Strophanthoside","Enterodiol","Vitamin B5","13,14-Dihydro PGF-1alpha","Decanoic acid","Makisterone A","Sterculic acid","Nummularine F","Valerosidatum","Emetine","Diethanolamine","Silmitasertib","1,4-Dimethylphenanthrene","Acetophenone, 4'-hydroxy-3'-methoxy-2-(2-piperidyl)-","Ivarmacitinib","Corchorusoside B","L-Ascorbic acid","Corchorusoside D","6-Ethylmorphine","Efaroxan","12S-Hydroxy-5Z,8E,10E-heptadecatrienoic acid","3-Oxo-5beta-cholanoic acid","N-Acetyl-L-glutamic acid","Isovalerylglutamic acid","Chlordiazepoxide","13-Hydroxy-5'-O-methylmelledonal","2,4-Dihydroxybutanoic acid","Dibutyl sulfosuccinate","6-Chloro-5-methyl-N-(quinolin-5-yl)indoline-1-carboxamide","N-acetylleucine","MG(0:0/i-24:0/0:0)","homovanillate","Lys-Asp-Tyr","Irgarol","Alverine","Delapril","N-Lauroyl Phenylalanine","2,2-dichloro-1,1-ethanediol","Trachelanthine","Viridicatin","2-glyceryl-Prostaglandin H2","gamma-Glutamyltyrosine","DIBOA","Butein","5-Dodecyldihydro-2(3H)-furanone","(1-(5-Fluoropentyl)-1H-indol-3-yl)(4-methylnaphthalen-1-yl)methanone","N-Palmitoyl Proline","Norverapamil","Shionone","Artesunate","beta-dibutyrin","PhIP","Harmalol","Cephaeline","5-Carboxyvanillic acid","N-Docosahexaenoyl Asparagine","Sorbitan laurate","3,8'-Biflaviolin","Dovitinib","6-Dodecenoylcarnitine","2-Phenylethyl beta-primeveroside","cis-4,7,10,13,16,19-Docosahexaenoic acid","Sedoheptulose 1-phosphate","Aspartylphenylalanine","Perfluorohexanoic acid","Ginsenoside Ro","Ambroxide","Desacetylvindoline","Flavokawain A","Adenosine 5'-monophosphoramidate","Dihydrotestosterone glucuronide","Serylvaline","E-Ajoene","Apraclonidine","Secoeremopetasitolide B","Suberic acid","Anomalin","Leiokinine A","5'-Methylthioadenosine","4-Nitrophenol","COX-1-IN-3","2,6-Diethylpyrazine","Sandosaponin A","Isobutylparaben","Creatinine","Gibberellin A72","7alpha-Methyl-17-ethinyl-19-nortestosterone","3-hydroxyisobutyrate","Pyridoxine","Epiandrosterone sulfate","Diprenorphine","Rolipram","Devd-cho","Butyl isobutyrate","Cimifugin","NORETHINDRONE ACETATE","Oglufanide","MG(0:0/18:3(6Z,9Z,12Z)/0:0)","ent-kaur-16-ene","Valeroidine","Talaromycin A","18:0 LYSO-PE","3'-Methoxy-[6]-Gingerdiol 3,5-diacetate","Histidylglycine","Dehydrocostus Lactone","Linalyl butyrate","Levonantradol","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide","2,3-Dihydroxy-2-[(4-hydroxyphenyl)methyl]butanedioic acid","cis-4,7,10,13-Hexadecatetraenoic acid","5-Fluorouridine","minocycline","Epinine","Besipirdine","Jasmonic acid","Azobenzene","2-Monolaurin","H-Leu-Met-OH","AMP","cis-10-Heptadecenoic acid","2,6-Dimethylbenzenethiol","5,7-Dihydro-2-methylthieno[3,4-d]pyrimidine","Arginylasparagine","Tryptophol","(all-Z)-8,11,14,17-Eicosatetraenoic acid","L-Lysine","(R)-Leucic acid","LPE(14:0)","N-Acetyl-L-tryptophan","Perlolyrin","N-(4-Coumaroyl)-L-homoserine lactone","2-Carboxybenzaldehyde","2-Isobutyl-3-methoxypyrazine","2-Methoxy-4-methylphenol sulfate","Tris(2-butoxyethyl) phosphate","(3beta,5alpha,6a)-Cholesta-8,14-diene-3,6-diol","Guaiol","Glemanserin","5,12-dihydroxyicosa-6,8,10,14,17-pentaenoic acid","7,8-Dihydroneopterin","Eglinazine","14-Deoxyandrographolide","TG(16:0/18:4(6Z,9Z,12Z,15Z)/16:1(9Z))","methyl 9,10-12,3-diepoxystearate","(5Z,8Z)-tetradecadienoylcarnitine","Guanadrel","24-dehydro Cholesterol","(+)-Prosopinine","Coumarin102","Alvimopan","H-Glu-Val-Phe-OH","Diacetoxy-6-gingerdiol","Traumatic Acid","Glycochenodeoxycholic acid","Lysyltyrosine","L-Histidyl-L-tyrosine","Pregnenolone-3,21-disulfate","D-erythro-Sphingosine (d16:1)","Dimethylthiambutene","2,5-dihydroxybenzenesulfonate","6-Oxo-1-phenyl-1,6-dihydropyridine-3-carboxylic acid","Progesterone","Ketanserin","D-Fructose","LysoPE(0:0/18:0)","Dibenzothiophene-5,5-dioxide","(-)-Hydroxycitric acid","Ggstop","2-C-Methyl-D-erythritol 2,4-cyclodiphosphate","L-Arginyl-L-arginyl-L-arginine","Arachidonoyl serinol","1-(3,4-Dichlorophenyl)-3-azabicyclo[3.1.0]hexane","16:1 aldehyde","Glycerol monobehenate","Ferutinin","3,5-dihydroxy-4-(sulfooxy)benzoic acid","Lambertine","6-methoxykaempferol","(R)-2-(4-(Tert-butoxycarbonyl)morpholin-3-yl)acetic acid","Threonylthreonine","N-Acetylprocainamide","Detomidine","Palmitoylethanolamide","Esmolol","N-lactoyl-phenylalanine","7-Hydroxy-2',4',5'-trimethoxyisoflavone","2-Methylhippurate","Tyrosol","Flindersine","1-Monolaurin","Azeliragon","Octahydrocurcumin","4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid","Rabeprazole Sulfide","4-(2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl)phenol","Phenethyl phenylacetate","PC(2:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))","Losoxantrone","Hexadecanoic acid","Ricinoleic acid","6-Ethylchenodeoxycholic acid","8-Hydroxypurine","5-oxoproline","Carnosine","Prilocaine","Hyperforin","Spironolactone","(9Z)-3-hydroxydodecenoylcarnitine","Nicotine glucuronide","Lys-Phe","PS(16:1(9Z)/16:1(9Z))","L-N-(1H-Indol-3-ylacetyl)aspartic acid","11beta-Hydroxy-4-pregnen-3,20-dione","Kojic acid","5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium","Phaseic acid","5,6,7,8-Tetrahydrofolic acid","N-Lauroyl Glutamine","N1,N8-Diacetylspermidine","bucolome","8-Gingerol","4-Thiouridine","Bisindolylmaleimide I","Kasugamycin","2,3-Dinorthromboxane B2","H-Ser-His-OH","alpha-Glu-asp","Indole-3-propionic acid","Taurodeoxycholate","Dihydroeuparin","Pinacidil","11-Undecanolactone","Virginiamycin M1","4-Carboxy-4-hydroxy-2-oxoadipate","Barbital","Levomefolic acid","Terretonin","2-Ethylhexyl 2-cyano-3, 3-diphenylacrylate","Gibberellin A37","Indoleacrylic acid","Citric Acid","Prolyltryptophan","15-Keto prostaglandin E1","2'-Deoxyuridine 5'-monophosphate","8-Cyclopentyl-1,3-dimethylxanthine","15-Keto prostaglandin E2","Ponasterone A","(Z)-But-1-ene-1,2,4-tricarboxylate","7-KETODEOXYCHOLIC ACID","PALMITOYLCARNITINE","Sertraline","Loxtidine","Isopteropodine","Gibberellin A53","Bilobalide","Glaucarubinone","Dehydroepiandrosterone","Sanshodiol","Hydroxychloroquine","Myrtucommulone A","2-Diphenylacetylamino-5-guanidino-pentanoic acid [1-(4-hydroxy-phenyl)-ethyl]-amide","gamma-glutamyltryptophan","Thalictroidine","19-Oic-deoxycorticosterone","Strophanthidin","beta-Casomorphin (1-6)","L-Arginine","gamma-Linolenic acid","N-Docosahexaenoyl Glycine","Cyclo(Ala-Gly)","Trachelogenin","Pivagabine","Pristimerin","Gibberellin A24","Moracin M","3-(4-Methyl-3-pentenyl)thiophene","Moracin O","Gibberellin A15","olomoucine","Imidazole acetol-phosphate","N-acetylglucosaminylasparagine","Tropine","13-Methylpentadecanoic acid","Metanephrine sulfate","3-Methoxytyramine-betaxanthin","cis-9-Hexadecenoic acid ethyl ester","Gibberellin A32","1-Oleoyl-sn-glycero-3-phosphocholine","Octaprenyl diphosphate","Kifunensine","NoName_1597","N-Pyruvoyl-5-methoxy-3-hydroxyanthranilate","Ethylenediamine-N,N'-diacetic acid","Adavosertib","Enalaprilat","Lumichrome","Naratriptan","Undeca-2,5,8-trienoylcarnitine","3-Hydroxyundecanoic acid","Methyl palmoxirate","Methylenediphosphonic acid","1-Methylpyrene","Propyphenazone","Ethenoadenosine","(R)-8-Methylsulfinyloctyl isothiocyanate","Bilin","3-[(3-Methylbutyl)nitrosoamino]-2-butanone","LysoPA(a-25:0/0:0)","2-O-a-L-Fucopyranosyl-galactose","Fingolimod phosphate ester, S-","Menadione bisulfite","Sarpogrelate","Sebacic acid","homoarginine","(1,2-Dicarboxyethyl)cysteine","Prolyl-Gamma-glutamate","Benzyl propanoate","7-Hydroxystaurosporine","TRIPHENYLMETHANE","L-SelenoMethionine","2-Monoolein","Atractylenolide III","Capecitabine","16-Epiestriol","Dehydroabietane","5-(2-Hydroxyethyl)-4-methylthiazole","Ozagrel","Hydrolyzed fumonisin B1","H-D-Trp-OH","5H-Indazole-5,5-dicarboxylicacid, 1,2,3,4,6,7-hexahydro-3-oxo-","Halofantrine","Ajugol","DG(8:0/i-13:0/0:0)","14-Methylhexadecanoic Acid","Antiarol","2-heptyl-3-hydroxy-4-quinolone","sn-Glycero-3-phosphocholine","1-Dodecylimidazole","ar-Turmerone","Cyclocreatine","Palmitoleoyl Ethanolamide","Arginyltryptophan","(5Z,8Z,10E,12S,14Z)-12-Hydroxyicosa-5,8,10,14-tetraenoylcarnitine","Dodecanedioic acid","5-O-Desmethyldonepezil","Chaksine","Tauroursocholic acid","5,6-Dihydrothymidine","N-Methylmescaline","Pentosidine","MD 770222","4-Androstenediol","(-)-Epigallocatechin","N-Myristoyl Aspartic acid","Sabinic acid","Enterolactone 3''-sulfate","Fluorescein","(-)-alpha-Bisabolol oxide B","Phenylphosphoric acid","7-hydroxy-octadecanoic acid","Triethylene glycol dimethacrylate","Dikegulac","(+-)-7-Hydroxyoctanoic acid","Tanshinone IIA","4-(7H-Purin-6-ylsulfanyl)but-3-en-2-one","H-Ile-Asn-OH","11beta-Hydroxy-3,20-dioxopregn-4-en-21-oic acid","4,4-Difluoro-17beta-hydroxy-17alpha-methyl-androst-5-en-3-one","Thymidine","Tiracizine","L-threo-3-Phenylserine","Tucidinostat","Flumazenil","2-alpha-D-Mannopyranosyl-L-tryptophan","MG(0:0/18:0/0:0)","2,3-Phenazinediamine","Docosanedioate","Homodolicholide","H-Lys-Thr-OH","L-Prolyl-L-valine","Glycylprolylarginine","Deoxycorticosterone acetate","Simvastatin","2-Ethyl-2-hydroxybutanedioylcarnitine","(2S,3R)-3-Hydroxybutane-1,2,3-tricarboxylic acid","3-hydroxytridecanoic acid","Vitamin K2","Tecastemizole","N-acetylphenylalanine","Norethisterone enanthate","N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine","Bufalin","Histamine","Kojibiose","Picrotoxinin","PIP(20:3(8Z,11Z,14Z)/20:3(6,8,11)-OH(5))","1-methyl-4-(2-methyloxiran-2-yl)-7-oxabicyclo[4.1.0]heptane","4,4'-Thiobis(6-tert-butyl-m-cresol)","Soyasaponin III","Gepirone","H-Ala-Hyp-OH","Azelaic acid","Hydroxyacetone phosphate","Fuscaxanthone A","N-3-oxo-dodecanoyl-L-homoserine lactone","15-Deoxy-delta12,14 -Prostaglandin J2","Decylamine","Pentetrazol","Avocadene","Androsta-1,4-diene-3,17-dione","Vindesine","Phenylalanylmethionine","2-Gonen","Acebutolol","2,5-Furandicarboxylic acid","5beta-Androstane-3,17-dione","PIP(TXB2/18:0)","Anisomycin","Glycodeoxycholic acid","Norvaline","Daidzein","10-Piperazinylpropylphenothiazine","cis- and trans-L-Mercapto-p-menthan-3-one","Benzoin"],"additional_accession":[]},"is_claimable":false,"name":"Untargeted LC-MS metabolomics of in vitro cultured Rothia mucilaginosa supernatant and pellet samples","description":"This study reports untargeted LC-MS metabolomics data from in vitro culture of Rothia mucilaginosa (BNCC363031). A total of 13 biological samples were analyzed, including culture supernatant samples (S1-S5), bacterial pellet samples (B1-B5), and uninoculated medium controls (M1-M3). Data were acquired in both positive and negative ion modes, resulting in 34 raw mzXML files (17 POS and 17 NEG). UHPLC-MS/MS analysis was performed on a Vanquish UHPLC system coupled with an Orbitrap platform (Q Exactive HF-X/Exploris series), followed by standard processing including peak detection, alignment, annotation, and QC-based filtering. This dataset supports characterization of extracellular and intracellular metabolite profiles associated with Rothia culture conditions.","dates":{"publication":"2026-10-06","submission":"2026-06-18"},"accession":"MTBLS14792","cross_references":{"HMDB":["HMDB0253707","HMDB0243524","HMDB0250451","HMDB0250631","HMDB0036831","HMDB0240274","HMDB0256206","HMDB0253233","HMDB0000252","HMDB0256776","HMDB0039517","HMDB0033865","HMDB0253803","HMDB0250718","HMDB0005783","HMDB0243530","HMDB0253312","HMDB0258236","HMDB0249707","HMDB0250946","HMDB0254414","HMDB0248452","HMDB0040670","HMDB0036827","HMDB0031617","HMDB0258301","HMDB0248258","HMDB0036647","HMDB0252664","HMDB0061661","HMDB0041838","HMDB0303991","HMDB0003406","HMDB0006285","HMDB0000269","HMDB0002327","HMDB0001442","HMDB0010384","HMDB0251003","HMDB0031547","HMDB0003033","HMDB0015636","HMDB0000239","HMDB0004610","HMDB0015146","HMDB0000086","HMDB0010379","HMDB0000244","HMDB0005768","HMDB0002053","HMDB0001392","HMDB0304951","HMDB0012111","HMDB0013609","HMDB0249243","HMDB0000995","HMDB0039530","HMDB0029377","HMDB0004110","HMDB0010382","HMDB0000870","HMDB0254199","HMDB0254174","HMDB0029138","HMDB0029511","HMDB0041886","HMDB0011533","HMDB0033586","HMDB0035293","HMDB0029697","HMDB0000505","HMDB0038457","HMDB0259946","HMDB0035612","HMDB0062483","HMDB0037834","HMDB0031860","HMDB0060932","HMDB0032039","HMDB0011742","HMDB0060666","HMDB0060540","HMDB0034154","HMDB0006119","HMDB0041008","HMDB0041655","HMDB0302841","HMDB0034146","HMDB0259006","HMDB0012488","HMDB0029838","HMDB0041944","HMDB0036420","HMDB0038361","HMDB0030816","HMDB0005798","HMDB0035220","HMDB0014573","HMDB0245150","HMDB0014325","HMDB0029864","HMDB0000716","HMDB0000721","HMDB0002231","HMDB0062219","HMDB0002226","HMDB0005048","HMDB0061706","HMDB0034297","HMDB0000734","HMDB0000671","HMDB0002641","HMDB0000660","HMDB0240607","HMDB0004812","HMDB0000308","HMDB0000736","HMDB0000512","HMDB0004089","HMDB0000759","HMDB0000594","HMDB0303337","HMDB0001173","HMDB0001065","HMDB0004081","HMDB0032985","HMDB0002117","HMDB0062656","HMDB0000672","HMDB0000267","HMDB0001488","HMDB0000211","HMDB0029737","HMDB0000562","HMDB0003073","HMDB0001238","HMDB0000097","HMDB0000043","HMDB0004437","HMDB0002088","HMDB0000673","HMDB0000050","HMDB0003229","HMDB0000687","HMDB0000159","HMDB0000517","HMDB0003349","HMDB0000177","HMDB0000167","HMDB0000696","HMDB0000273","HMDB0003447","HMDB0002432","HMDB0000259","HMDB0000182","HMDB0005066","HMDB0002068","HMDB0011741","HMDB0003422","HMDB0041920","HMDB0034276","HMDB0246854","HMDB0029586","HMDB0041220","HMDB0244983","HMDB0013302","HMDB0012252","HMDB0000628","HMDB0006709","HMDB0240493","HMDB0000305","HMDB0029160","HMDB0012204","HMDB0012245","HMDB0011617","HMDB0002961","HMDB0000063","HMDB0000429","HMDB0001830","HMDB0000501","HMDB0014917","HMDB0034181","HMDB0006036","HMDB0240343","HMDB0028878","HMDB0040583","HMDB0032538","HMDB0029563","HMDB0255165","HMDB0015503","HMDB0042039","HMDB0014581","HMDB0251571","HMDB0247968","HMDB0250927","HMDB0034159","HMDB0256501","HMDB0014888","HMDB0040459","HMDB0251757","HMDB0032740","HMDB0028889","HMDB0028696","HMDB0002815","HMDB0249290","HMDB0303910","HMDB0014944","HMDB0259217","HMDB0255721","HMDB0062175","HMDB0002776","HMDB0033244","HMDB0259275","HMDB0255262","HMDB0254402","HMDB0013650","HMDB0254938","HMDB0036074","HMDB0244530","HMDB0015081","HMDB0041565","HMDB0031683","HMDB0038461","HMDB0251428","HMDB0035923","HMDB0015407","HMDB0005076","HMDB0010407","HMDB0028885","HMDB0028707","HMDB0249005","HMDB0030323","HMDB0032048","HMDB0031068","HMDB0242115","HMDB0002982","HMDB0013648","HMDB0005083","HMDB0000347","HMDB0011648","HMDB0240713","HMDB0040179","HMDB0001314","HMDB0032066","HMDB0255910","HMDB0255614","HMDB0036139","HMDB0014398","HMDB0015095","HMDB0240222","HMDB0244334","HMDB0013279","HMDB0112193","HMDB0013626","HMDB0256396","HMDB0060957","HMDB0029001","HMDB0302469","HMDB0030339","HMDB0032033","HMDB0038660","HMDB0032539","HMDB0254810","HMDB0249068","HMDB0255017","HMDB0251535","HMDB0248813","HMDB0246565","HMDB0259876","HMDB0041607","HMDB0031565","HMDB0303321","HMDB0003540","HMDB0035018","HMDB0036326","HMDB0259918","HMDB0240369","HMDB0250490","HMDB0040645","HMDB0032041","HMDB0094673","HMDB0031184","HMDB0001123","HMDB0014439","HMDB0015168","HMDB0032628","HMDB0001449","HMDB0001190","HMDB0042011","HMDB0000493","HMDB0059871","HMDB0036156","HMDB0032358","HMDB0012535","HMDB0092900","HMDB0029082","HMDB0029044","HMDB0059745","HMDB0003148","HMDB0028998","HMDB0037543","HMDB0029051","HMDB0010386","HMDB0006059","HMDB0011179","HMDB0028735","HMDB0029156","HMDB0028827","HMDB0029028","HMDB0251351","HMDB0303893","HMDB0301804","HMDB0242181","HMDB0252468","HMDB0006482","HMDB0029131","HMDB0028961","HMDB0028835","HMDB0029026","HMDB0029059","HMDB0028900","HMDB0028902","HMDB0245229","HMDB0072869","HMDB0003752","HMDB0060818","HMDB0251762","HMDB0247623","HMDB0013654","HMDB0248559","HMDB0006070","HMDB0029030","HMDB0004304","HMDB0032946","HMDB0251975","HMDB0030452","HMDB0032614","HMDB0035751","HMDB0037607","HMDB0037805","HMDB0035337","HMDB0036809","HMDB0029037","HMDB0038731","HMDB0030980","HMDB0040640","HMDB0030978","HMDB0011180"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