Metabolite identification and annotation were performed using multiple reference databases and bioinformatics tools. The main databases included:
KEGG (Kyoto Encyclopedia of Genes and Genomes): Used for pathway annotation to determine the involvement of metabolites in biochemical pathways, with results summarized in files such as meta_kegg_anno.xls and meta_kegg_anno_categroy.xls.
HMDB (Human Metabolome Database): Employed for detailed metabolite information annotation, stored in meta_hmdb_anno.xls and meta_hmdb_anno_categroy.xls.
Lipidmaps: Specialized in lipid metabolite classification and annotation, with results documented in meta_lipidmaps_anno.xls, meta_lipidmaps_anno_categroy.xls, and visualized in meta_lipidmaps_anno.png (top 20 categories).
Annotation pipelines were integrated into the BMKCloud platform (www.biocloud.net), ensuring systematic matching of detected metabolites with database entries for functional classification and pathway mapping.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse phase","Liquid Chromatography MS - positive - reverse phase"],"chromatography_protocol":["Chromatography Instrument: RIGOL L-3000 High-Performance Liquid Chromatography System
Mobile Phase: A (0.1% formic acid in water); B (0.1% formic acid in ACN)
Gradient: Solvent B held at 4% for 8 min, increased to 10% over 3 min, 10–25% over 77 min, 25–50% over 10 min, 50–99% over 4 min, held at 99% for 6 min, decreased to 4% over 4 min, and held at 4% for 8 min.
Flow Rate: Loading pump: 300 nL/min for 15 min; separation: 300 nL/min for 120 min
Injection Volume: 10 μL (sandwich loading method)
Column Type: Reverse Phase (C18-based for desalting and separation)
"],"publication":["The Portuguese man-of-war genome reveals the genetic basis of medusa loss and sea–air interface adaptation."],"submitter_affiliation":["Yantai Institute of Coastal Zone Research"],"submitter_name":["FH Wang"],"organism_part":["tentacle"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Tentacular palpons (n=5) were excised from a healthy adult P. physalis colony for toxin proteomic analysis. Each sample was treated with 300 μL of 8M urea containing protease inhibitor (10% of lysate volume). After centrifugation at 14,100×g for 20 min, the supernatant was collected. Protein concentration was determined using the Bradford method, and the remaining supernatant was stored at -80°C. A 50 µg aliquot of extracted proteins from each sample was reduced with 200 mM dithiothreitol (DTT) at 37°C for 1 h, then diluted 8-fold with 50 mM ammonium bicarbonate (ABC) buffer. Trypsin was added at a 1:25 (trypsin:protein) ratio, and digestion was performed overnight at 37°C. The reaction was terminated with 50 μL of 0.1% formic acid (FA). Samples were desalted using a C18 column pre-washed with 100 μL of 100% acetonitrile (ACN, centrifuged at 1200 rpm for 3 min) and 100 μL of 0.1% FA (same centrifugation). ≤30 μg of sample was loaded, followed by two washes with 100 μL of 0.1% FA and one wash with 100 μL of pH 10 water. Elution used a 10-step ACN gradient (6%, 9%, 12%, 15%, 18%, 21%, 25%, 30%, 35%, 50% in pH 10 water), with eluates pooled into three fractions (6%,15%,25%,50%; 9%,18%,30%; 12%,21%,35%). Fractions were lyophilized and stored at -80°C until LC-MS/MS.
"],"organism":["Physalia physalis"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS12736"],"author":["Dong Zhijun. Muping Coastal Environment Research Station, Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences, Yantai, Shandong 264003, China.. Yantai Institute of Coastal Zone Research. zjdong@yic.ac.cn.","Wang Fanghan. Muping Coastal Environment Research Station, Yantai Institute of Coastal Zone Research, Chinese Academy of Sciences, Yantai, Shandong 264003, China.. Yantai Institute of Coastal Zone Research. fhwang@yic.ac.cn."],"data_transformation_protocol":["Raw mass spectrometry data (.raw format) were processed using MaxQuant 1.5.2.8 for protein identification and quantification. For label-free quantification, the total peak area normalization method was applied, where each protein's peak area in a sample was divided by the total peak area of all proteins in that sample to standardize the data. Subsequent statistical analyses (including principal component analysis, relative standard deviation calculation, and K-means clustering) were performed using R software (version 3.1.1) with packages such as scales, ggplot2, ggrepel, and scatterplot3d. Data scaling was conducted using UV scaling to ensure consistency across samples.
"],"study_factor":["Processing order","Replicate"],"submitter_email":["fhwang@yic.ac.cn"],"sample_collection_protocol":["Adult P. physails colonies were collected from waters near Zhaoshu Island (Hainan, China) in January 2024, and transported back to laboratory aquariums for cultivation. Tentacular palpons (n=6) were excised from a healthy adult P. physalis colony and gently rinsed with filtered artificial sea water to remove surface impurities, followed by rapid freezing in liquid nitrogen and lyophilization using a freeze-dryer.
"],"omics_type":["Metabolomics"],"study_design":["tentacle","Toxin","untargeted metabolites","Physalia physalis"],"curator_keywords":["tentacle","Toxin","untargeted metabolites","Physalia physalis"],"mass_spectrometry_protocol":["Instrument: Thermo Orbitrap Fusion mass spectrometer
Scan Parameters: Full MS scan (m/z 250–1450) at 120,000 resolution; data-dependent CID MS/MS on top 20 ions with an isolation window. Normalized collision energy: 30%; activation time: 50 ms.
Acquisition Mode: Second-stage data collected in linear ion trap fast mode, with automatic gain control (AGC) 7,000, maximum injection time 35 ms, and dynamic exclusion time 18 s.
Identification Parameters: Precursor ion mass tolerance: ±15 ppm; fragment ion mass tolerance: ±0.5 Da; max missed cleavages: 2. Static modification: carbamidomethylation of Cys residues (57.021 Da); dynamic modifications: oxidation of Met residues (+15.995 Da).
Data Processing: MS/MS data analyzed using MaxQuant 1.5.2.8.
"],"metabolite_name":["15-deoxy-¦¤12,14-Prostaglandin A2","Threonyllysine","Norsolorinic acid","Staurosporine","N6,N6,O-Tridemethylpuromycin-5'-phosphate","Reduced riboflavin","4-(4-Methylphenyl)-2-butanone","Kaempferol 3-O-feruloyl-caffeoyl-sophoroside 7-O-glucoside","Diethyl decanedioate","2',3'-Cyclic UMP","Alantolactone","Cefuroxime","PE(P-16:0/PGE2)","6-(4-Fluorophenyl)-2,3-dihydro-5-(4-pyridinyl)imidazo(2,1-b)thiazole","Uridine 2',3'-cyclic phosphate","Pantothenol","5beta-Cholestane-3alpha,7alpha,24,26-tetrol","Hydroxyatrazine","Kinetin","Nitrous oxide","Minaxolone","3-O-Demethylfortimicin A","1-(5-Phospho-D-ribosyl)-5-amino-4-imidazolecarboxylate","PC(MonoMe(11,3)/MonoMe(11,3))","Gabazine","N2-Citryl-N6-acetyl-N6-hydroxy-L-lysine","beta-Citraurol","Selanc","PE(20:3(8Z,11Z,14Z)-2OH(5,6)/18:3(6Z,9Z,12Z))","4-Hydroxybenzaldehyde","25-Desacetyl rifapentine","3-Methylthiopropyl-desulfoglucosinolate","4,21-Dehydrogeissoschizine","Methyl (3x,4E,10R)-3,10-dihydroxy-4,11-dodecadiene-6,8-diynoate 10-glucoside","Kinetensin 4-7","1-Acetyl-2-phenylhydrazine","Mutilin","Pyrroline hydroxycarboxylic acid","TOFA","PE(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))","D-Glucose 1-phosphate","Oxamyl","PE(20:1(11Z)/PGF1alpha)","Glutamylisoleucine","FMN","Lactucin","Diethylaminoethyl-dextran","Hydroxy(oxo)methanesulfonic acid","(Z)-9-Cycloheptadecen-1-one","gamma-L-Glutamyl-S-(hercyn-2-yl)-L-cysteine S-oxide","Hexylglutathione","Arabinonic acid","(1R,6R)-6-Hydroxy-2-succinylcyclohexa-2,4-diene-1-carboxylate","16-Oxopalmitate","6''-O-Carbamoylkanamycin A","3'-Deamino-3'-(2-methoxy-4-morpholinyl)doxorubicin","Pantothenic acid","2-Propylglutaric acid","3',4'-Dihydrorhodovibrin","Penicillic Acid","(¡À)-Myristoylcarnitine","Ritonavir","16-hydroxy hexadecanoic acid","Hydroxyprolyl-Lysine","Isolinderanolide","Glyuranolide","2-Methoxy-estradiol-17b 3-glucuronide","LysoPC(14:1(9Z)/0:0)","N-Acetylamrinone","3,4-DHPEA-EA","Glycyl-Glutamate","5-(2-Furanyl)-1,2,3,4,5,6-hexahydro-7H-cyclopenta[b]pyridin-7-one","Octaethylene glycol","(-)-Huperzine A (HupA)","Crustecdysone","L-Gizzerosine","dTDP-3-amino-2,3,6-trideoxy-4-keto-D-glucose","Gentamicin C","Prostaglandin D1","Tafluprost","PS(PGE1/20:0)","DG(12:0/PGF1alpha/0:0)","Acetyl-L-tyrosine","6-Acetamido-2-oxohexanoate","13,14-Dihydro-15-keto-PGE2","Naringin","Neamine","Dulcoside A","N-tetradecanoyl-L-Homoserine lactone","(10Z,13Z,16Z,19Z,22Z,25Z)-Octacosahexaenoyl-CoA","1-Deoxy-11beta-hydroxypentalenate","N-Acetylpuromycin","20-HETE-d6","2-Methyl-3-n-amyl-dihydropyrrole","5,10-Methylenetetrahydrofolate","Corynoline","Fusidic acid","3-Methylindolepyruvate","BW 246C","Histidylarginine","10-Hydroxymyristic acid methyl ester","2-Octaprenyl-6-methoxy-1,4-benzoquinone","Tiaprost","4-hydroxyhexanoylglycine","2-Acetyl-5-methylpyridine","17-phenyl-18,19,20-trinor-prostaglandin E2","Leupeptin","Proanthocyanidin","Tylosin","(3S)-3-Hydroxy-N6,N6,N6-trimethyl-L-lysine","Rimeporide","PI(22:4(10Z,13Z,16Z,19Z)/20:3(6,8,11)-OH(5))","N-Lauroyl Glutamic acid","Benzyloxycarbonyl-phenylalanylarginine-4-methylcoumaryl-7-amide","Mytilus Small cardioactive peptide","hydroxyrepaglinide","Prostaglandin B2","Rostafuroxin","Ipamorelin","2,3-Dinor-8-iso prostaglandin F2alpha","Glycylprolylhydroxyproline","Desglucocoroloside","Piboserod","(R)-Dihydromaleimide","Arginylphenylalaninamide","Adb-chminaca, (+/-)-","6-Fluoro-DL-tryptophan","Riddelliine N-oxide","4-Hydroxy-2-quinolinecarboxylic acid","3'-Deoxythymidine","Propanoyl phosphate",".alpha.-Linolenoyl ethanolamide","hexadecanedioate","Arginylphenylalanine","(E)-3,7-Dimethyl-1,5,7-octatrien-3-ol","9,12,13-TriHOME","PC(24:0/18:1(12Z)-O(9S,10R))","Cephamycin C","G-418","3-Mercaptohexyl hexanoate","Phenylalanylhistidine","6beta-Hydroxy-3-oxo-12-oleanen-28-oic acid","Libenzapril","Prednisolone butyrate","(6S,3'S,5'R,6'R)-6,3',5'-Trihydroxy-4,5,6',7'-tetradehydro-7,8,5',6'-tetrahydro-beta,beta-carotene-3,8-dione","Buprenorphine","2-[4-(Carboxymethyl)-1,4,8,11-tetrazabicyclo[6.6.2]hexadecan-11-yl]acetic acid","THURFYL NICOTINATE","Angiotensin (5-7)","N-Carbamyl-L-glutamate","PC(MonoMe(11,5)/MonoMe(13,5))","Acetyl-DL-Valine","2,3-Dimethylmaleate","LysoPE(0:0/16:0)","Molybdopterin precursor Z","2-Methylbutyrylglycine","Acetylenedicarboxylate","gamma-L-Glutamyl-L-cysteine","PC(24:1(15Z)/PGE2)","Spirorenone","PS(5-iso PGF2VI/20:0)","PA(14:1(9Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","Hydroxyprolylhydroxyproline","6-Hydroxynicotinate","3-Oxobutanoylcarnitine","Angiotensin (5-8)","Sterigmatocystin","Descladinose roxithromycin","Tryptophyl-Lysine","Bursin","MG(18:2(9Z,12Z)/0:0/0:0)","Taurolithocholic acid","Benzyl N-[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]-N-[(2S)-4-methyl-1-oxopentan-2-yl]carbamate","Orotidine, 5'-phosphate (OMP)","Norgestrel","Glycylserylprolylmethionylphenylalanylvalinamide","TG(10:0/13:0/8:0)","Pregnanetriol 3a-O-b-D-glucuronide","MG(0:0/i-12:0/0:0)","UDP-N-acetyl-alpha-D-glucosamine","Veratramine","Pikromycin","Prolyl-Lysine","Carotamine","5-Hydroxymethyl-2'-deoxyuridine","Nadolol","Fukiic acid","(+-)-Mevalonolactone","Copalic acid","7-beta-Hydroxyepiandrosterone","Uralenolide","Armillarivin","Vignatic acid B","Iridotrial","N-[(3a,5b,7a,12a)-3,12-dihydroxy-24-oxo-7-(sulfooxy)cholan-24-yl]-Glycine","7,8-Dihydrobiopterin","PA(24:0/20:5(5Z,8Z,10E,14Z,17Z)-OH(12))","PC(P-16_0_18_4(6Z,9Z,12Z,15Z))","Oxytocin","Val Ala Phe Asp","Vdavp","(R)-3-Hydroxy-Octadecanoic acid","PS(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","phosphinomethylisomalate","2-(N-Morpholino)-ethanesulfonic acid","Acetate","LysoPC(17:0/0:0)","PG(18:1(11Z)/18:2(10E,12Z)+=O(9))","5(S)-HpEPE","Abscisic acid glucose ester","(8S,9S,10R,13S,14S,17R)-1-Hexadecanoyl-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one","16-Hydroxypalmitate","D-1,5-Anhydrofructose","5-Methoxyindoleacetate","12-Oxo-2,3-dinor-10,15-phytodienoic acid","PS(16_0_16_0)","O-6-deoxy-a-L-galactopyranosyl-(1->2)-O-b-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-D-Galactose","3-Pentadecenal","Strictosidine aglycone","1-((2S,4S,5R)-4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidine-2,4(1H,3H)-dione","g-Nitro-l-arginine methyl ester","(6Ar,10aR)-1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,9,10,10a-tetrahydrobenzo[c]chromene-9-carboxylic acid","PS(20:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PE(22:0/PGJ2)","3-Sulfodeoxycholic acid","5-[2H-Pyrrol-4-(3H)-ylidenemethyl]-2-furanmethanol","5-hydroxy saxagliptin","cis-Aconitic acid","L-Oleandrosyl-oleandolide","PS(16:0/22:2(13Z,16Z))","Blumenol C glucoside","Cholylcitrulline","(3a,5b)-24-oxo-24-[(2-sulfoethyl)amino]cholan-3-yl-b-D-Glucopyranosiduronic acid","HSO3-","(8R,9S,10S,13S,14S,17R)-16-Fluoro-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one","Prostaglandin J2","3-Methyl-2-cyclohexen-1-one","(2S,4S)-Pinnatanine","Nivacortol","(¡À)-Ibuprofen","2-Octenoic acid","Milbemycin A3","CDP-DG(16:0/PGF1alpha)","Cyclohexanecarboxamide","Maltol","6-Hydroxycyclohex-1-ene-1-carbonyl-CoA","Nebramycin 5","MG(16:0/0:0/0:0)","Strigol","Janthitrem B","Guanidineacetic acid","Cinncassiol D4","(8S,9R,10R,13S,14S)-10,13-Dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene","Janthitrem E","LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))","2,2-Dimethyl Succinic acid","PE(DiMe(11,5)/PGJ2)","Nelipepimut-S","Trimethobenzamide","2-Aminophenol","Demethylphylloquinol","PIP(18:0/20:3(5Z,8Z,11Z))","Didemethylcitalopram","9,10-Epoxyoctadecanoic acid","L-Leucine","Aflatoxin-M1-8,9-epoxide","N-Stearoyl Glutamine","Deoxyloganin","Elamipretide","Ixocarpanolide","Guanethidine","Azepexole","3-Hydroxydodecanoic acid","(13Z,16Z,19Z,22Z)-Octacosatetraenoyl-CoA","Kiwiionoside","Ampicilloyl","PE(24:1(15Z)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))","(+)-7-Isojasmonic acid CoA","N-Acetyl-p-benzoquinonimine","Osmaronin","MG(0:0/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","PC(18:1(11Z)/TXB2)","3-Hydroxy-5,9,17-trioxo-4,5:9,10-disecoandrosta-1(10),2-dien-4-oate","Nonioside B","Methyl 6-[(3S,6S,9S,12R)-3-butan-2-yl-6-[(1-methoxyindol-3-yl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.4.0]hexadecan-9-yl]hexanoate","Galactonolactone","Brevianamide F","Monacolin L acid","FADH2","VAPIPROST","Pantothenate","Pro-leu","5-Tetradecenoic acid","PE(24:0/18:1(12Z)-2OH(9,10))","Eicosadienoic acid","Mevastatin","PE(22:0/22:5(7Z,10Z,13Z,16Z,19Z))","Galbanic acid","3',4'-Anhydrovinblastine","Alamandine","di-trans,poly-cis-Undecaprenyl diphosphate","2-Pentadecylfuran","Desonide","Pentafluoropropionic acid","Hydroxylated N-acetyl desmethyl frovatriptan","4',5,7-Trimethoxyflavone","2-amino-5-(amino-dimethylamino-methylidene)amino-pentanoic acid","PG(a-25:0/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))","PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/TXB2)","Persicaxanthin","8,11-eicosadiynoic acid","Pentanoic acid","Lamivudine sulfoxide","3-Succinoylpyridine","7,8-Dihydro-3b,6a-dihydroxy-alpha-ionol 9-glucoside","4,4-Dimethyl-2-[3-carboxylatopropyl]-2-tridecyloxazolidine 3-oxide","Aerobactin","Erythromycin","6|A-Hydroxy-7|A-(thiomethyl)spirolactone","4-METHYLDAPHNETIN","Gentamicin C1a","Mequitazine","PA(22:5(7Z,10Z,13Z,16Z,19Z)/24:0)","Brassinolide","17-AAG","5-Ethynyl-2'-deoxyuridine","2-(4-Nitrobenzylidene)malononitrile","gamma-Glutamyl-gamma-aminobutyraldehyde","Adipic acid","6,7-Dimethyl-8-(D-ribityl)lumazine","3,4-Didehydroretinol Acetate","Prolyl-Tryptophan","Phenylalanylisoleucine","Pyridin-3-ylmethyl N-[(2S,4S,5S)-4-hydroxy-5-[[(2S)-3-methyl-2-[[methyl(1,3-thiazol-4-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]carbamate","PI(18:0/PGF2alpha)","Myricanone","TG(14:1(9Z)/18:4(6Z,9Z,12Z,15Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Digoxigenin","20-Oxo-5-O-beta-mycaminosyltylactone","Folate","gamma-Oxalocrotonate","Flunoxaprofen","Arachidonoylglycine","D-Glucosaminate-6-phosphate","SM(d18:1/LTE4)","2-Phosphonopropionic acid","2-Hydroxy-4-imino-2,5-cyclohexadienone","Ketotrilostane","BEMORADAN","3-Hydroxymethylantipyrine","PE(18:1(11Z)/20:1(11Z))","Serinyl-Aspartate","9-(3-Methyl-5-propylfuran-2-yl)nonanoylcarnitine","PGP(20:3(5Z,8Z,11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","CL(8:0/10:0/10:0/17:0)","2-Fluorocyclohexadiene-cis,cis-1,2-diol-1-carboxylate","3-hydroxy-tetradecanoic acid","PI(16:0/18:2(9Z,12Z))","16,16-dimethyl-PGA1","3-Cyano-L-alanine","Butirosin A","dAMP","10-(3,4-Dimethyl-5-pentylfuran-2-yl)decanoylcarnitine","5Z,13Z-Docosadienoic acid","Rifaximin","UDP-2-acetamido-4-dehydro-2,6-dideoxyglucose","5-Hydroxyferulic acid methyl ester","Glycyl-Phenylalanine","Ala-Phe-Ala","5-O-beta-D-Mycaminosyltylactone","Semagacestat","Biliverdin-IX-delta","Carrageenan, potassium salt of","GDP","DG(18:0/18:1(12Z)-O(9S,10R)/0:0)","CDP-DG(18:3(6Z,9Z,12Z)/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","CL(8:0/10:0/13:0/18:0)","Pantothenamide","5-Hydroxyferuloyl-CoA","3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestane","Tyramine","Berberine","11-Hydroxyandrosterone","2-Methyl-3-pentenoic acid","(¡À)8-HEPE","(3R,4S,5R)-3,4,5,6-Tetrahydroxyhexanoyl fluoride","Necatorine","7(14)-Bisabolene-2,3,10,11-tetrol","3b-Allotetrahydrocortisol","Dehydroxymethylflazine","N-Acetyl-DL-methionine","Deoxyadenosine","Nafazatrom","3-Hydroxy-4-butanolide","N-(N-(3-Amino-3-carboxypropyl)-3-amino-3-carboxypropyl)azetidine-2-carboxylic acid","1b,3a,12a-Trihydroxy-5b-cholanoic acid","L-alpha-Acetyl-N-normethadol","Apigenin 7-arabinoside","UDP-glucose","Asp-Phe methyl ester","Gly-Trp-OH","N4-Acetylcytidine","(R)-2,3-Dihydroxy-3-methylbutanoate","PC(2:0/18:3(10,12,15)-OH(9))","7,8-Dehydroastaxanthianthin","N-Acetyl desmethyl frovatriptan","5'-Phosphoribosyl-N-formylglycinamide","2-Oxo-3-hydroxy-4-phosphobutanoate","2-[(4S)-4-Amino-5-oxopentyl]guanidine","Dihydroxytryptamine","4-Demethylpremithramycinone","PE(PGJ2/16:0)","PC(2:0/PGF1alpha)","11-Hydroxyprogesterone 11-glucuronide","Glaucarubin","Frangulanine","Salicylic acid","4-Imidazolone-5-propanoate","Pipereicosalidine","Bisnorbiotin","7alpha-Hydroxydehydroepiandrosterone","11-((2-Dimethylaminoethyl)oxymethyl)erythromycin A 9-methoxime","N-Palmitoyl Glycine","1-Isopropyl-N-((6-methyl-2-oxo-4-propyl-1,2-dihydropyridin-3-yl)methyl)-6-(2-(4-methylpiperazin-1-yl)pyridin-4-yl)-1H-indazole-4-carboxamide","Cholyl-L-dopa","dTDP-D-desosamine","L-Pyrrolysine","(3R)-3-Hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide","UDP-L-Ara4FN","Blasticidin S","6-Keto-prostaglandin E1","2H-Dibenz[b,f]azepin-2-one","PC(24:1(15Z)/LTE4)","Sodium phenylpyruvate","Tabersonine","DG(18:3(6Z,9Z,12Z)/22:5(7Z,10Z,13Z,16Z,19Z)/0:0)","solasodine 3-O-beta-D-glucopyranoside","Methylnoradrenaline","LysoPE(P-18:1(9Z)/0:0)","Butanoyl PAF","C20911","C20915","2-Ethyl-4-hydroxy-5-methyl-3(2H)-furanone","PG(i-12:0/i-12:0)","Eicosanoyl-CoA","PE(14:0/PGF1alpha)","trans-Dec-2-enoic acid","Glutathionylspermine","7-Methylthioheptyl glucosinolate","11,14,15-THETA","Angiotensin (1-7)","Menadione","Fuziline","PE(20:0/18:2(9Z,12Z))","(¡À)8-HETE","PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/14:0)","2-[4,6-Bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-(octyloxy)phenol","beta-D-Glucosyl crocetin","PE(20:2(11Z,14Z)/22:1(13Z))","8-Oxo-dGMP","3-Dehydroteasterone","Pentalenolactone F","Anhydrotetracycline","Dimethyl sulfoxide","Palmitoyl-L-carnitine","Peimisine","Oxatomide","Fumiquinazoline F-indoline-2',3'-diol","LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","17-beta-Estradiol-3-glucuronide","(2R,3R)-3-Methylornithinyl-N6-lysine","Corynoxeine","Narbomycin","PS(PGF2alpha/22:5(4Z,7Z,10Z,13Z,16Z))","12-Keto-leukotriene B4","Denaverine","5'-O-beta-D-Glucosylpyridoxine","CDP-DG(a-13:0/PGE2)","Casokefamide","(Phe2,Orn8)-oxytocin","N,N-Dimethyl-4-nitrosoaniline","gamma-Chaconine","LysoPC(22:5(7Z,10Z,13Z,16Z,19Z)/0:0)","1-Palmitoyl-sn-glycero-3-phosphocholine","3beta-Hydroxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(24(1))-en-4alpha-carboxylate","Homomethionine","2-[(3,17-Dihydroxy-13-methyl-8,9,11,12,14,15,16,17-octahydro-7H-cyclopenta[a]phenanthren-6-ylidene)amino]oxyacetic acid","Aminopentol","2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one","CDP-DG(a-17:0/PGJ2)","Rutin","13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid","Sulfite","Indole-3-carboxylic acid","beta-D-Gentiobiosyl crocetin","PE(22:5(7Z,10Z,13Z,16Z,19Z)/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))","Methacycline","Histidinyl-Arginine","LysoPE(20_3(8Z,11Z,14Z)_0_0)","LysoPC(18:3(9Z,12Z,15Z)/0:0)","D-1-[(3-Carboxypropyl)amino]-1-deoxyfructose","Estrone","Mestranol","PE(MonoMe(11,5)/MonoMe(11,5))","Angiotensin (1-9)","5-Oxoicosa-3,6,8-trienoic acid","(3b,5b,22a,25R)-Furostane-22-methoxy-3,26-diol 3-[glucosyl-(1->2)-glucoside] 26-glucoside","CDP-DG(PGE2/a-25:0)","Palustrine","H-Val-pro-asn-leu-pro-gln-arg-phe-NH2","DG(a-25:0/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0)","PI(16:0/18:2(10E,12Z)+=O(9))","Nebramycin factor 4","Cyclo(L-prolyl-L-valyl)","Lilopristone","CDP","20-Hydroxyleukotriene E4","Cyclo(Arg-Gly-Asp-D-Phe-Val)","Aspartame","9-deoxy-9-methylene-16,16-dimethyl -PGE2","Stearoylcarnitine","Porrigenin A","15(S)-Hydroxyeicosatrienoic acid","Arginyl-Valine","Homocastasterone","CMP-2-aminoethylphosphonate","Biotin","Quadazocine","PI(TXB2/18:2(9Z,12Z))","PG(i-24:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","Ampicillin","Hercynine","2-nonenoylglycine","(¡À)19,20-DiHDPA","Ethotoin","Neurotensin 11-13","(S)-3-{4-[2-(5-Methyl-2-phenyl-oxazol-4-yl)-ethoxy]-phenyl}-2-propylamino-propionic acid","Armillaridin","(+)-threo-2-Amino-3,4-dihydroxybutanoic acid","(1R,3S)-3-(6-Aminopurin-9-yl)cyclopentan-1-ol","5-(3'-Carboxy-3'-oxopropyl)-4,6-dihydroxypicolinate","3-(Phosphonomethyl)-5-phenyl-D-phenylalanine","Bitopertin","N-Arachidonyl dopamine","(S)-3-Methyl-2-oxopentanoic acid","4-Hydroxy-L-phenylglycine","Kanamycin D","Cinnamic acid","Propan-2-yl 3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate","5-Phosphoribosyl-4-carboxy-5-aminoimidazole","4,11,13,15-Tetrahydroridentin B","LysoPE(P-16:0/0:0)","Cerivastatin","Yuzu lactone","Octanoyl-CoA","Phenylalanylhydroxyproline","Amoxicilloyl","LysoPC(P-16:0/0:0)","Arachidonoyl thio-PC","Primary fluorescent chlorophyll catabolite","2'-N-Acetylparomamine","PG(a-25:0/PGF2alpha)","Ginkgolide J","Benzo[a]pyrene-7,8-dihydrodiol","Glycitein","CMP-3-deoxy-D-manno-octulosonate","Iminostilbene","1,2-Dihydroxy-6-methylcyclohexa-3,5-dienecarboxylate","CDP-DG(a-25:0/20:3(6,8,11)-OH(5))","1-Palmitoyl Lysophosphatidic Acid","Kaempferol 3-O-alpha-L-(3-trans-p-coumaroyl-rhamnopyranoside)","(1R)-Hydroxy-(2R)-glutathionyl-1,2-dihydronaphthalene","2-Amino-2-deoxyisochorismate","Linatine","3'-Hydroxyhexobarbital","8-Amino-8-demethylriboflavin 5'-phosphate","Apo-14'-zeaxanthinal","3-Hydroxyhexadecanoylcarnitine","Keto-3-deoxy-D-manno-octulosonic acid","N,N-Didesmethyltamoxifen","Isovaleric acid","Ribothymidine","Trimethoprim","Dihydropteroate","N-hydroxy-L-tryptophan","(S)-Norcoclaurine","CDP-DG(18:1(11Z)/18:2(9Z,12Z))","1,2-Ethanediol monoricinoleate","2-[Cyclopentyloxy(methyl)phosphoryl]sulfanyl-N,N-dimethylethanamine","VIBEGRON","Buspirone","11beta,21-Dihydroxy-3,20-oxo-5beta-pregnan-18-al","16alpha-Fluoroestradiol","5-(Hydroxymethyl)-1H-pyrrole-2-carbaldehyde","LysoPE(0:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Gibberellin A1 glucosyl ester","beta1-Chaconine","Morphine-6-glucuronide","Stearoylglycine","delta-(L-2-Aminoadipyl)-L-cysteinyl-D-valine","PC(DiMe(11,5)/20:3(5Z,8Z,11Z)-O(14R,15S))","DG(i-14:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)","2-Hydroxy-6-oxo-6-(2-carboxyphenyl)-hexa-2,4-dienoate","Glutamic acid diethyl ester","(S)-3-[(Cyanophenylmethyl)amino]-3-oxopropanoic acid","N-Acetyl-DL-tryptophan","Belotecan","LysoPE(0:0/20:3(11Z,14Z,17Z))","Triterpenoid","Thebaine","6-[(2R,4S,5R)-4-Hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydroimidazo[1,2-c]pyrimidin-5-one","Angiotensin IV","Stigmasterol","Prolyl-Valine","Reduced coenzyme F420","Palmatine","6-Carboxyhex-2-enoyl-CoA","Tryptophyl-Tryptophan","Angiotensin II","Fasciculic acid B","14alpha-Hydroxy-5beta-cholest-7-ene-3,6-dione","Acarbose","Hydroxytamoxifen","5-Amino-5-(4-hydroxybenzyl)-6-(D-ribitylimino)-5,6-dihydrouracil","Glutaconylcarnitine","7-Methoxy tropisetron","Surfactin","Rubrofusarin 6-[glucosyl-(1->3)-glucosyl-(1->6)-glucoside]","PC(2:0/20:4(5Z,8Z,11Z,13E)+=O(15))","L-Rhamnose","Biotin sulfoxide","PG(PGJ2/20:2(11Z,14Z))","10,11-Epoxy-3-geranylgeranylindole","Hydroxyfluoroprednisolone butyrate","PE(16:0/18:1(12Z)-O(9S,10R))","N,O-Didesmethyltramadol","Ophthalmate","Candoxatrilat","[(2R,3S,4S,6R,7S,8R)-4-Ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxo-6-tricyclo[5.4.3.01,8]tetradecanyl] 2-[2-(diethylamino)ethylsulfanyl]acetate","(10S)-Juvenile hormone III acid diol","11'-Carboxy-gamma-chromanol","Asparagoside B","4-(4-Methyl-3-pentenyl)-3-cyclohexene-1-carboxaldehyde","(2,3-Dimethoxyphenyl)-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]methanol","Folinic acid","kainic acid","2-Dodecylbenzenesulfonic acid","CMP","Bilirubin beta-diglucuronide","8-Methoxykynurenate","Spectinomycin","UDP-N-acetylmuramate","8(S)-HETE","Emindole SB","Deltaline","Glucoliquiritin","11-Dehydro-thromboxane B2","4-Hydroxydebrisoquine","gamma-Aminobutyric acid glutamate","Furanofukinin","4-Phospho-D-erythronate","N-Methyl-1-deoxynojirimycin","PE(18:0/18:3(9Z,12Z,15Z))","Olodaterol","Adamantylamide-alanyl-isoglutamine","PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))","Dimethyltriazenoimidazole","Arginylhydroxyproline","LysoPC(16:1(9Z)/0:0)","2-hydroxyhexadecanoic acid","Isopenicillin N","Isonocardicin A","Stavudine","Tetraethylene glycol","Hexahomomethionine","(6Z,9Z)-Hexadecadienoyl-CoA","alpha-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLEPROPIONIC ACID","N-Desthienylethyl-rotigotine","9alpha-(Angeloyloxy)-4S-hydroxy-10(14)-oplopen-3-one 4-acetate","gamma-Glutamyl-5-hydroxytryptophan","QYNAD","Vipadenant","M2 di-hydroxylated metabolite","Oleandrin","PC(P-16:0/PGJ2)","Grifolic acid","Plastoquinone","11-Eicosatrienoic acid","1-Ethyl-2-pyrrolidinone","Permetin A","Casomorphin","PA(20:4(8Z,11Z,14Z,17Z)/5-iso PGF2VI)","N-Demethylmenogaril","Piriprost","PE(18:1(11Z)/16:0)","mepitiostane","5'-Deoxy-5-fluorocytidine","4-(Cytidine 5'-diphospho)-2-C-methyl-D-erythritol","PS(15:0/22:0)","CDP-DG(22:3(10Z,13Z,16Z)/18:2(10E,12Z)+=O(9))","Dihydrobiopterin","Dibenzofuran","Desulfoglucotropeolin","indole-3-acetyl-phenylalanine","Hippurate","CDP-DG(PGE2/18:0)","16,16-dimethyl-6-keto Prostaglandin E1","Zeinoxanthin","20,26-Dihydroxyecdysone","Seryltryptophan","Valerylglycine","PC(16:1(9Z)/18:4(6Z,9Z,12Z,15Z))","7-Sulfocholic acid","Abeado","6-Aminopenicillanate","Mitoxantrone","Maltose 6'-phosphate","PGP(i-19:0/20:4(5Z,8Z,11Z,13E)-OH(15S))","2-Deoxy-D-ribose 1-phosphate","Capsicoside A1","PE(20:1(11Z)/18:1(11Z))","Carbetocin","PE(16:0/22:5(4Z,7Z,10Z,13Z,16Z))","ROXATIDINE","Taurodeoxycholic acid 3-glucuronide","N-palmitoyl-phosphoethanolamine","7-[3-(4-Acetyl-3-hydroxy-2-propylphenoxy)-2-hydroxypropoxy]-4-oxo-8-propylchromene-2-carboxylic acid","17-Aminogeldanamycin","Hydroxyprolyl-Gamma-glutamate","9,11-methane-epoxy PGF1¦Á","Kanamycin X","(9Z,12Z,15Z)-3-Hydroxyoctadecatrienoylcarnitine","HU210","7,8-Dihydrovomifoliol 9-[apiosyl-(1->6)-glucoside]","Aflatoxin GM1","Ketorolac","Prodigiosin","Sordarin","15-Dihydroxyeicosatrienoic acid","4-Oxoretinol","Asparaginyl-Leucine","4beta-8-Daucen-4-ol","PE(14:1(9Z)/22:2(13Z,16Z))","Firuglipel","Guanosine 5¡ä-diphosphate (GDP)","N-Methacryloyl-L-glutamic acid","L-beta-Ethynylserine","PC(18:3(6Z,9Z,12Z)/P-16:0)","Candicidin","3'-Deoxythymidine-5'-monophosphate","Aculeacin A","Arginylisoleucine","Pymetrozine","Erythromycin D","Testosterone glucuronide","Tazobactam","4-Methylene-L-glutamate","Ethyl 4-pentenoate","3'-Hydroxyamobarbital","PI(PGF2alpha/18:0)","Ethisterone","Angiotensin III","[(2S,3R)-2-Amino-3-hydroxybutanoyl] (2S)-pyrrolidine-2-carboxylate","5-Thymidylic acid","3-Hydroxysuberic acid","8-Demethyl-8-(methylamino)riboflavin","L-Homoserine","4-Methylthiobutyl-desulfoglucosinolate","2,3-Dihydroxytoluene","1,11-Undecanedicarboxylic acid","Tetrahydroaldosterone","Feruloylagmatine","Cytochalasin Ppho","PC(20:0/PGE2)","4-Hydroxy-5-phenyltetrahydro-1,3-oxazin-2-one","Jubanine B","Netilmicin","Graecunin E","PC(17:2(9Z,12Z)/0:0)","PA(14:0/PGF1alpha)","2,8-Quinolinediol","Cobinamide","Levonorgestrel acetate","6-Oxocampestanol","Dapdiamide C","2-Oxosuberate","DG(16:0/18:1(12Z)-2OH(9,10)/0:0)","Isoleucyl-Isoleucine","LysoPC(22:4(7Z,10Z,13Z,16Z)/0:0)","Gemfibrozil","3-Hydroxy-L-kynurenine","(S)-3-(6-Methoxypyridin-3-yl)-3-(2-oxo-3-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl)imidazolidin-1-yl)propanoic acid","13,14-dihydro-15(R,S)-hydroxy-16,16-difluoro Prostaglandin E1-d4","Coproporphyrinogen III","19(20)-EpDPE","Phenylalanyl-Gamma-glutamate","Daunorubicin","Lariciresinol","Linoleamide","14,15-Epoxyemindole SB","4-Thiocyanatophenol","Tyrosyl-alanyl-glycine","S-Formylglutathione","DG(8:0/5-iso PGF2VI/0:0)","PC(P-16:0/PGF1alpha)","3-Methylglutaconyl-CoA","Serotonin","4-Glutathionyl cyclophosphamide","3-Hydroxyheptadecanoylcarnitine","PG(i-24:0/20:3(6,8,11)-OH(5))","Deoxycholylphenylalanine","2'-Hydroxyenterolactone","Holyrine A","N-Acetylserotonin glucuronide","Hydroxyprolyl-Proline","PE(14:0/20:0)","DG(18:0/6 keto-PGF1alpha/0:0)","1-hexadecyl-glycero-3-phosphate","xi-2-Hexyl-5-methyl-3(2H)-furanone","Dihydrotestosterone propionate","S-Japonin","Macrophorin C","1-[(2R,4R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-pyrimidinone","PE(P-18:0/18:2(10E,12Z)+=O(9))","Taurocholate","Aurantiumal","(Indol-3-yl)glycolaldehyde","3-(1H-Pyrrol-2-yl)propanoic Acid","11Z-Eicosenoic acid","O-(13-Carboxytridecanoyl)carnitine","1-(2-Aminoacetyl)-N-(4-nitrophenyl)pyrrolidine-2-carboxamide","(S)-9-Hydroxy-10-undecenoic acid","Aspartyl-Isoleucine","DG(22:0/PGE2/0:0)","Cynaroside A","Emtricitabine","Carfecillin","7-O-Acetylsalutaridinol","Rigin","Levorin","Chlorophyllide b","1-(5'-Phosphoribosyl)-5-formamido-4-imidazolecarboxamide","Himbacine","N-Dimethyl-2-aminoethylphosphonate","(2R)-2-Hydroxy-2-methylbutanenitrile","PC(18:3(9Z,12Z,15Z)/18:1(11Z))","3-Hydroxytrideca-4,6-dienoylcarnitine","16-Glucuronide-estriol","Caffeoyl-CoA","(-)-11-nor-9-carboxy-¦¤9-THC","Estradiol valerate","Norfuraneol","L-Metanephrine","N6-Acetyl-LL-2,6-diaminoheptanedioate","(S)-8-Oxocitronellyl enol","Citalopram N-oxide","Rhizocticin C","Cytarabine","Petasalbin","(Z)-7-Hexadecen-1,16-olide","4-Hydroxycyclohexylcarboxylic acid","SM(d19:1/20:5(5Z,8Z,11Z,14Z,16E)-OH(18))","Cicaprost","Vomifoliol","N,N-dimethyl-L-Valine","(2S)-2-Amino-6-[(3-formylpiperidin-1-yl)amino]hexanoic acid","PI(18:1(11Z)/6 keto-PGF1alpha)","hydroxynonenal","(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid","1-Pyrroline-4-hydroxy-2-carboxylate","Neochlorogenin","TetraHCA","4-Aminosalicylic acid","LysoPC(16:0/0:0)","Doxyl","8,15-Isopimaradien-18-oic acid","Uridine monophosphate (UMP)","Prolyl-Glutamate","Ac-Pro-Gly-Pro-OH","Cefepime","Cortolone","Cholic acid glucuronide","Cholic acid","Orotidine 5'-phosphate","Pregnenolone","Lucidenic acid M","Lividomycin A","Illudin M","Abscisic aldehyde","UDP-2,3-diacetamido-2,3-dideoxy-alpha-D-glucuronate","PG(16:1(9Z)/18:1(12Z)-O(9S,10R))","Ciliatocholate","Arbutin","Cucurbitacin D","Rollidecin C","Postin","Narirutin","(8R,9R,10R,13S,14S)-3-[2-(Diethylamino)ethoxy]-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one","PC(20:5(5Z,8Z,11Z,14Z,17Z)/PGE2)","Pressinoic acid","Malvidin 3-arabinoside","Delpazolid","5alpha-Ethoxy-6beta-hydroxy-5,6-dihydrophysalin B","9(S)-HODE-d4","Glutamyl-Methionine","1-Methyl-2-undecylquinolin-4(1H)-one","Cyclooctat-9-ene-5,7-diol","PE(18:0/PGJ2)","1-Adamantanecarbonyl-RF-NH2","6-Hydroxymelatonin","Oxytetracycline","Penitrem D","Penitrem E","Penitrem B","Annosquamosin A","Tetranor-12(R)-HETE","DG(17:0/5-iso PGF2VI/0:0)","Antheraxanthin","Vulgaxanthin II","hesperetin 3'-O-sulfate","Pyroglutamic acid","Bis(glutathionyl)spermine disulfide","3''-Oxoribostamycin","Ecdysone","24,24-Difluoro-1alpha,25-dihydroxyvitamin D3","Peonidin 3-O-arabinoside","Physagulin F","Aurachin B","N-Succinyl-2-L-amino-6-oxoheptanedioate","Hexanitrohexaazaisowurtzitane","Aurachin A","Isomaltose","Tyr Val His Arg","dTDP-glucose","4-Chloro-2-nitrobenzylalcohol","Noradrenochrome","Alanyl-Isoleucine","[(8S,9S,13S,14S,17R)-3,17-Dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl] pentanoate","all-trans-Retinoyl-beta-glucuronide","Gentamicin X2","2-Hydroxy-6-ketononatrienedioate","(+)-15,16-Dihydroxyoctadecanoic acid","Prostaglandin B2-d4","8-Amino-8-demethylriboflavin","Amrinone","Polystyrene sulfonate","D-Fructose 6-phosphate","7-Methylxanthosine","PE(DiMe(9,5)/PGF1alpha)","PA(18:4(6Z,9Z,12Z,15Z)/20:3(8Z,11Z,14Z)-2OH(5,6))","p-Acetamidophenol (Acetaminophen, Tylenol)","PC(16:0/PGJ2)","2',3'-Dideoxyuridine","N-Docosahexaenoyl Lysine","UDP","LysoPE(16:0/0:0)","Gly-Norvaline","Secologanin","TETRAHYDROURIDINE","Farnesoic acid","20-Hydroxyecdysone","Nordeoxycholic acid","(1R)-Glutathionyl-(2R)-hydroxy-1,2-dihydronaphthalene","Bucromarone","11(R)-HETE","Pseudaminic acid","(24E)-3alpha,7alpha,12alpha-Trihydroxy-5beta-cholest-24-enoyl-CoA","cyclic 6-Hydroxymelatonin","Monacolin J acid","DG(a-25:0/PGJ2/0:0)","1-beta-hydroxymedroxyprogesterone","BQ 123","Crocin","2,2-Dimethyl-5-hydroxy-1-pyrrolidinyloxy","4-Desacetylvinblastine hydrazide","2-Nonene-1,4-diol","Taurodeoxycholic acid","7-t-Butoxyiminomethyl-camptothecin","Cholyltyrosine","Proparacaine","Citalopram aldehyde","Spirolide C","2,22-Dideoxy-3-dehydroecdysone","Decarbamoylsaxitoxin","N-Acetyl-L-leucine","5-Aminoimidazole-4-carboxyamide","PC(DiMe(13,5)/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))","6'''-Deamino-6'''-oxoneomycin C","SM(d18:0/18:1(11Z))","Actinonin","Deoxycholic acid","CDP-DG(i-12:0/20:4(5Z,8Z,11Z,14Z)-OH(20))","N-Methyl-L-glutamate","Etonogestrel","Isolinderenolide","PC(22:0/LTE4)","LysoPS(18:2(9Z,12Z)/0:0)","Taraxacolide 1-O-b-D-glucopyranoside","alpha-Hydroxytamoxifen","O-Sulfotyrosine","PC(20:1(11Z)/18:1(11Z))","PC(DiMe(13,5)/DiMe(9,3))","Tobramycin","Prostaglandin F1a","2'-Deamino-2'-hydroxyneamine","3,5-Dinitrobenzoic acid","LysoPC(20:3(8Z,11Z,14Z)/0:0)","5,5-Diphenylbarbituric acid","9,10-DHOME","Glutamine glutamate aspartate","Staphyloferrin A","Isoleucyl-Tyrosine","Staphyloferrin B","Temiverine","PC(DiMe(11,3)/MonoMe(13,5))","3-[3-Carboxy-2,3-dihydro-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-5-benzofuranyl]-2-propenoic acid","2,10-Bisaboladiene-1,4-diol","Prostaglandin A2-d4","13,14-dihydro-15-keto-PGE1","N-Ethylretinamide","L-Histidine","isopimaric acid","PS(18:2(9Z,12Z)/6 keto-PGF1alpha)","Normorphine","3-(1,1-Dimethylallyl)scopoletin 7-glucoside","N-Oleoyl Alanine","6-(Hydroxymethyl)-7,8-dihydropterin","(7Z,10Z,13Z,16Z)-Docosatetraenoylcarnitine","(S)-3-Hydroxytetradecanoyl-CoA","3beta-Hydroxypregn-5-en-20-one sulfate","Castasterone","3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide","Serylisoleucine","4-Amino-5-aminomethyl-2-methylpyrimidine","Guanidylic acid (guanosine monophosphate)","(R)-Cryptone","PS(16:0/LTE4)","8-Demethyl-8-(2-O-methyl-alpha-L-rhamnosyl)tetracenomycin C","(+/-)-trans- and cis-5-(2,2-Dimethylcyclopropyl)-3-methyl-2-pentenal","PGP(18:2(9Z,11Z)/6 keto-PGF1alpha)","2'',4'',6''-Triacetylglycitin","Dehypoxanthine futalosine","Grandiflorolic acid","Deacetoxycephalosporin C","dl-alpha-Tocopherol nicotinate","N6-(L-1,3-Dicarboxypropyl)-L-lysine","3-Methoxytyrosine","beta-D-Glucosyloxydestruxin B","3',5'-Cyclic GMP","Topaquinone","Rotigotine","3-Hydroxy-11Z-octadecenoylcarnitine","Pregnanediol","4-Methylcatechol","6-Deoxocastasterone","Deacetylisoipecoside","Glutathione","PC(20:4(5Z,8Z,11Z,14Z)-OH(20)/16:0)","PG(a-25:0/6 keto-PGF1alpha)","Glutaminylproline","PA(20:5(5Z,8Z,11Z,14Z,17Z)/PGE2)","PE(DiMe(13,5)/PGJ2)","[10]-Shogaol","3-Vinylcatechol","Fexofenadine","4-Hydroxy-L-threonine","Ethylene brassylate","(2R,3R,4S,5S,6R)-6-[[5-Hydroxy-4-(hydroxymethyl)-6-methylpyridin-3-yl]methoxymethyl]oxane-2,3,4,5-tetrol","(S)-2-Aceto-2-hydroxybutanoate","S-(Hercyn-2-yl)-L-cysteine S-oxide","7,8-Diaminononanoate","3b,15b,17a-Trihydroxy-pregnenone","Fluocortolone Pivalate","(R)-N1-((S)-3,3-Dimethyl-1-(methylamino)-1-oxobutan-2-yl)-N4-hydroxy-2-isobutylsuccinamide","PG(18:1(11Z)/6 keto-PGF1alpha)","8-Acetoxy-4-acoren-3-one","Hydroxynalidixic acid","Corchoroside B","Estradiol-17beta 3-glucuronide","CDP-DG(18:2(9Z,11Z)/i-12:0)","Erucic acid","5-Hydroxy-4-methoxy-3-methyl-2,6-canthinedione","Phosphoribosyl-AMP","(3R-(3alpha,4alpha(2R*,3R*),5beta,6beta))-5-Methoxy-4-(2-methyl-3-(3-methyl-2-butenyl)oxiranyl)-1-oxaspiro(2.5)octan-6-ol carbamate","N-Acetylindoxyl","PE(20:1(11Z)/22:5(7Z,10Z,13Z,16Z,19Z))","(11S,14S,17R,20S,23R)-20-Benzyl-17-[3-(diaminomethylideneamino)propyl]-14-(1H-indol-3-ylmethyl)-2,5,13,16,19,22-hexaoxo-1,6,12,15,18,21-hexazabicyclo[21.3.0]hexacosane-11-carboxamide","4-(L-Alanin-3-yl)-2-hydroxy-cis,cis-muconate 6-semialdehyde","(2S,3R)-2-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine","(1-Methyl-2,3-dihydropyridin-6-ylidene)hydrazine","8-Demethyl-8-alpha-L-rhamnosyltetracenomycin C","Ethyl 3-((6-(4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)-2-(pyridin-2-yl)pyrimidin-4-yl)amino)propanoate","4,6-Heneicosanedione","Tuberose lactone","25-Acetylvulgaroside","Glutathionylaminopropylcadaverine","2,3-Secoporrigenin","D-Valacyclovir","Galabiosylceramide (d18:1/25:0)","UMP","Androstenedione","3-Hydroxy-2-methylpyridine-5-carboxylate","Lycopersiconolide","5,6-dehydro Arachidonic Acid","PC(16:0/20:4(5Z,8Z,11Z,14Z)-OH(20))","Nebramine","3,4-Dimethyl-5-pentyl-2-furanpropanoic acid","Contignasterol","C-1027 Chromophore","5-Ribosylparomamine","Sambutoxin","dTDP","6'-Oxo-G418","3-(4-(2-Dimethylamino-1-methylethoxy)phenyl)-1H-pyrazolo(3,4-b)pyridine-1-acetic acid","5-Formyl-5,6,7,8-tetrahydromethanopterin","Sphingosine 1-phosphate (d19:1-P)","Aminoimidazole ribotide","6-Hydroxypseudooxynicotine","L-beta-aspartyl-L-threonine","Etoposide","Uric acid","11S,15S-dihydroxy-14R-(S-glutathionyl)-5Z,8Z,12E-eicosatrienoic acid","(¡À)5,6-DHET","Dodecyl-beta-D-maltoside","5'-N-Ethylcarboxamidoadenosine","Nicotinate D-ribonucleotide","Isomaltotriose","PE(PGE1/P-18:0)","LysoPC(20:2(11Z,14Z)/0:0)","N-[2-(3,5-Dioxopiperazino)propyl]-N-(2-amino-2-oxoethyl)glycine","Stearidonic acid","¦¤17-U-46619","2-hydroxyoct-1-enoylglycine","Sagopilone","Tetradecanedioic acid","Phoenicoxanthin","10-Deoxymethynolide","15-keto Iloprost","Asparaginyl-Tryptophan","7-Hydroxy-6-methyl-8-ribityllumazine","DG(15:0/PGF2alpha/0:0)","Pectenotoxin 7","all-trans-3,4-Didehydroretinol","6'''-Deamino-6'''-hydroxyneomycin C","Cyanoketone","Docosadienoate (22:2n6)","MG(19:0/0:0/0:0)","Dehydroepiandrosterone sulfate","CoA","N-(2-(4-Methylpyridinyl))-N-(1-phenethyl-4-piperidinyl)-2-furamide","Retinyl beta-glucuronide","salutaridinol","L-Allysine Ethylene Acetal","Cenisertib","Succinic anhydride","Sagittariol","4-Hydroxyvoriconazole","CMP-N-trimethyl-2-aminoethylphosphonate","Hydrogenobyrinate a,c diamide","10,11-Dihydro-12R-hydroxy-leukotriene E4","Acetyl phosphate","PGP(a-15:0/6 keto-PGF1alpha)","DG(15:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0)","2-Methoxy-estradiol-17beta 3-glucuronide","12,13-Epoxy-9-hydroxy-10-octadecenoate","5-Phenyl-1,3-oxazinane-2,4-dione","Eriodictyol","4-Amino-3-phenylbutanoic acid","Protoporphyrinogen IX","(2E,5Z,7E)-Decatrienoylcarnitine","Cyclic dehypoxanthine futalosine","5'-Adenylyl sulfate (APS)","Xanthosine","dGMP","Norsolorinic acid anthrone","Myriocin","Metabolite M6","Thiamine aldehyde","Retinol","Bilastine","L-Arogenate","5'-Deoxy-5-fluorouridine","2-(2-Methylbutanoyl)-9-(3-methyl-2E-pentenoyl)-2b,9a-dihydroxy-4Z,10(14)-oplopadien-3-one","6'''-Deamino-6'''-hydroxyparomomycin II","Tanacetol B","Tylactone","Digoxigenin monodigitoxoside","Pravastatin","Leucyl-Glutamine","Pegvaliase","Glycocholic acid","Donhexocin","N-METHYLISOLEUCINE","Volicitin","Bosentan","Descyclopropyl Abacavir","gamma-Humulene","4-(beta-D-Ribofuranosyl)aniline 5'-phosphate","3alpha,11beta,21-Trihydroxy-20-oxo-5beta-pregnan-18-al","3-(Methylthio)propanoyl-CoA","(2E,4E)-N-[2-[[(2R,3R,4R,5R,6S)-2-(1,2-Dihydroxyethyl)-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]tetradeca-2,4-dienamide","8-Oxohexadecanoic acid","4-[(2,4-Dihydroxy-3,3-dimethylbutanoyl)amino]butanoic acid","Pyrido[2,3-d]pyrimidin-2(1H)-one, 4-cyclohexyl-1-ethyl-7-methyl-","C-2 Ceramide","2-Pyrazinoylguanidine","RU-0211","BGC 945","Colchicine","L-Glutamate","3beta,5beta-Ketodiol","UDP-N-acetylmuramoyl-L-alanyl-gamma-D-glutamyl-meso-2,6-diaminopimelate","4-O-alpha-D-Galactopyranosylcalystegine B2","1,2,3,4-Tetrahydro-beta-carboline","Roxithromycin","5,6,7,8-Tetrahydromethanopterin","Riboflavin (Vitamin B2)","Taurolithocholic acid 3-sulfate","Phosphatidylserine","Angiotensin A","Tryptophyl-Serine","Peiminine","2-Hydroxyglutaric acid lactone","3-Ketosphingosine","5-Hydroperoxyeicosatetraenoic acid","2-Hydroxy-6-oxo-(2'-aminophenyl)-hexa-2,4-dienoate","Biocytin","Triazophos","Oxetorone","Threonylhydroxyproline","9,10-DiHOME","PL","CDP-DG(i-20:0/18:1(12Z)-2OH(9,10))","1-Nitrohydroxyphenyl-N-benzoylalanine","Epothilone B","Epothilone A","Taurine","Epothilone D","4-[(2R)-2-Aminopropyl]imidazole-1-carboxylic acid","Gluconasturtiin","Gamma-Glu-Leu","Cer(d17:1/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","Zalcitabine","Talinolol","11-Deoxycortisol","Geldanamycin","Estradiol 3-Valerate","Lithocholic acid","Protoporphyrin","L-Rhamnono-1,4-lactone","2-Hydroxyethanesulfonate","bufalin","1-(5-Phosphoribosyl)imidazole-4-acetate","2-Methyl-3-oxopropanoate","Vinblastine","(-)-alpha-Bisabolol","N-OCTANOYL-L-HOMOSERINE LACTONE","Isoleucyl-Tryptophan","Prednisone","4-Oxoproline","Ganoderic acid B","PE(18_1(9Z)_0_0)","PC(2:0/20:4(5Z,8Z,11Z,14Z)-OH(20))","Isochorismate","6-Hydroxy-3-succinoylpyridine","(3Z)-Phycoerythrobilin","Cyclohexanecarboxamide, n-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-n-2-pyridinyl-","9(S)-HpODE","2-(S-Glutathionyl)acetyl glutathione","5a,11a-Dehydrotetracycline","Saponin H","5-Amino-4-imidazolecarboxyamide","11-Dehydro-2,3-dinor-txb2","Edivoxetine","Kudinoside A","Avocadynofuran","N-Arachidonoyl Proline","1-Heptadecanoylglycerophosphoethanolamine","Leukotriene C4","N-Docosahexaenoyl Histidine","2-Deoxyecdysone","Carbocyclic thromboxane A2","N-Oleoyl Histidine","PG(a-25:0/18:1(12Z)-O(9S,10R))","Oxyapramycin","PS(22:2(13Z,16Z)/18:1(12Z)-2OH(9,10))","Nigellicine","PC(6:2(3E,5E)/14:2(11E,13E))","LysoPE(0:0/22:2(13Z,16Z))","DG(16:0/5-iso PGF2VI/0:0)","Neomycin B","PE(P-18:0/PGF1alpha)","Isocyclocalamin","PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGJ2)","3-Methyldioxyindole","L-alpha-Amino-1H-pyrrole-1-hexanoic acid","Leukotriene B4","3-[2-(6-Methyl-2-pyridinyl)ethynyl]-2-cyclohexene-1-one O-methyloxime","[2-(Octadecoxymethyl)oxolan-2-yl]methyl 2-(trimethylazaniumyl)ethyl phosphate","Epanolol","Tryptamine","(2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol","Fungichromin","Morphine","Avermectin B1a monosaccharide","Temsirolimus","PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","(¡À)13-HpODE","dTDP-3-amino-3,6-dideoxy-D-glucose","Maraviroc","PE(P-16:0/20:3(5Z,8Z,11Z)-O(14R,15S))","Viomycin","UDP-3-O-(3-hydroxytetradecanoyl)-N-acetylglucosamine","Cholesterol sulfate","Pubescenol","Chemodosimeter","hydroxydeoxyguanosine","N-(2-Pyrimidinyl)formamide","2-trans-Dodecenoyl-CoA","1-Octadecanoyl-2-(15S-hydroxy-5Z,8Z,11Z,13E-eicosatetraenoyl)-sn-glycero-3-phosphoethanolamine","Cytochalasin Opho","N-Acetyldemethylphosphinothricin tripeptide","PE(18:3(6Z,9Z,12Z)/16:0)","3-(7'-Methylthio)heptylmalic acid","(7R)-7-(4-Carboxybutanamido)cephalosporanate","¦Á-CYANO-3-HYDROXYCINNAMIC ACID","Dihydromonacolin L acid","Lysylproline","Gentamicin A2","Adrenic acid","Ile-Ile-Ile-Pro","Gentamicin C1","7,8-Dihydro-7,8-dihydroxykynurenate","Isotabtoxin","3-Hydroxysintaxanthin","4-Hydroxy-4-methylglutamate","L-Nicotianine","Lomefloxacin","(8S,9S,10R,11S,13S,14S,17S)-11,17-Dihydroxy-10,13-dimethyl-17-prop-1-ynyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-3-one","PC(2:0/20:3(5Z,8Z,11Z)-O(14R,15S))","1,1-Dimethylbiguanide","L-Dihydroanticapsin","3-Hexaprenyl-4-hydroxybenzoate","Diacetoxyscirpenol","(S)-3-Hydroxy-3-methylglutaryl-CoA","3beta,7alpha-Dihydroxy-5-cholestenoate","4-Hydroxy-3-methoxyphenyl-beta-hydroxypropanoyl-CoA","17-Octadecynoic acid","Deoxycholylhistidine","Mangicrocin","PA(14:1(9Z)/LTE4)","PA(22:0/22:6(4Z,7Z,10Z,13E,15E,19Z)-OH(17))","PG(i-12:0/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))","PE(14:0/18:0)","N-Oleoylglycine","Oleandolide","Gentamicin C2","Gnaphaliin","Asp Ile Ala Lys","2-Pentylfuran","7Z, 10Z, 13Z, 16Z, 19Z-docosapentaenoic acid","Delphinidin 3-(acetylglucoside)","2-Hydroxycyclohexane-1-carboxyl-CoA","16-Hydroxyhexadecanoic acid","2,3-Dihydro-2,3-dihydroxy-4-(4-methoxyphenyl)-1H-phenalen-1-one","Phosphonoacetate","PI(22:2(13Z,16Z)/PGF1alpha)","(6Z,9Z,12Z)-Octadecatrienoic acid","Histidinyl-Tyrosine","N-Acetyl-9-O-lactoylneuraminic acid","2-[4-(Dimethylamino)phenyl]benzothiazole-6-ol","(9Z)-Hexadecenoic acid","Trypanothione","Achimilic acid","24,24-Dfhv","SM(d16:1/PGJ2)","(3R,5R)-7-[(1S,2R,3R,8S,8Ar)-3-hydroxy-2-methyl-8-(2-methylbutanoyloxy)-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","Prednicarbate","PC(18:1(11Z)/6 keto-PGF1alpha)","2,6,10,10-Tetramethyl-1-oxaspiro[4.5]decan-6-ol","Formononetin","Dihydrosterigmatocystin","Dienogest","2,3-Dinor-8-iso prostaglandin F1alpha","LysoPE(0:0/22:0)","Balsalazide","Dide-O-methylsimmondsin","Stizolobate","2-Ethylaniline","Phalloidin","(24E)-3alpha,15alpha-Diacetoxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid","Melanostatin","Pseudoprotodioscin","Cromakalim","14,15-Epoxyeicosa-5z-enoic acid","Benzoic acid sulfate","Resolvin E2","4-Hydroxyphenylacetylglutamic acid","urea glutamate","5-Aminoisoquinolin-1(2H)-one","VIPROSTOL","Bardoxolone methyl","8,11,14-Eicosatrienoyl-CoA","Cytidine 5'-{[hydroxy(2-hydroxyethyl)phosphonoyl]phosphate}","Minoxidil Glucuronide","1-Stearoylglycerophosphoserine","L-1-Pyrroline-3-hydroxy-5-carboxylate","LysoPI(18:1(9Z)/0:0)","Sandoricin","3-O-Protocatechuoylceanothic acid","SM(d17:1/20:5(6E,8Z,11Z,14Z,17Z)-OH(5))","Aldosterone","Oleyl alcohol","Gymnodimine","2-[(L-Alanin-3-ylcarbamoyl)methyl]-3-(2-aminoethylcarbamoyl)-2-hydroxypropanoate","Glucotropaeolin","dTDP-4-amino-2,4-dideoxy-beta-L-xylose","4,8-Dihydroxyquinoline","N-Stearoyl Histidine","Cyclo(L-Trp-L-Phe)","Leukotriene A4","Pentalen-13-al","8-Demethyl-8-(2,3-di-O-methyl-alpha-L-rhamnosyl)tetracenomycin C","MG(14:0/0:0/0:0)","3-Propylmalate","3A-Deolivosylpremithramycin B","Lyso-PAF C-16","Lysyl-Proline","ADP-D-glycero-beta-D-manno-heptose","7-Methylxanthine","Dihydrotestosterone diglucuronide","Thr Lys Ala Glu","Delta4-Dafachronic acid","Undecanedioic acid","Leu Val Ala Glu","S-Adenosylhomocysteine","Bulaquine","(1R,5aS,6R)-4a-Hydroxy-1,4,4a,5,5a,6,9,10a-octahydrophenazine-1,6-dicarboxylate","Solasodine","S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine","PG(i-22:0/PGE2)","17alpha,21-Dihydroxypregnenolone","CDP-DG(a-21:0/6 keto-PGF1alpha)","¦¥-(gamma-Glutamyl)-lysine","9,10-Dihydroxy-12,13-epoxyoctadecanoate","Thromboxane B2","Ser-Leu-Ile-Gly-Lys-Val","N2-Succinyl-L-arginine","D-Glucono-1,5-lactone","Citalopram","5-(N-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol","16-alpha-Hydroxyandrosterone","PS(PGE2/20:3(5Z,8Z,11Z))","Loganic Acid","2-Aminoheptanoate","PE(22:1(13Z)/PGJ2)","Urocortisol","(2S)-2-Amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy-3-chlorophenyl]propanoic acid","Tenofovir exalidex","Acetylbalchanolide","CDP-4-dehydro-6-deoxy-D-glucose","10-Deacetylbaccatin III","Tridecyl phloretate","Elloramycin A","Annoglaucin","PG(PGF2alpha/i-20:0)","CDP-DG(a-17:0/LTE4)","2-Chloro-3-oxoadipate","16-Nitroxystearate","3-[[5-Methyl-2-(1-methylethyl)cyclohexyl]oxy]-1,2-propanediol","Paromamine","Muricatacin","cis-Uvariamicin IB","xi-10-Hydroxyoctadecanoic acid","Aldotetraouronic acid","Bufogenin","2,3,4,5-Tetrahydro-2-pyridinecarboxylic acid","5-Hydroxy-L-tryptophan","PE(DiMe(9,3)/5-iso PGF2VI)","L-3,4-Dihydroxybutan-2-one 4-phosphate","Glucosylsphingosine","Validoxylamine A 7'-phosphate","Laninamivir","2-Hydroxydodecyl methacrylate","1-O-Octadecyl-sn-glyceryl-3-phosphorylcholine","11,12-Dimethoxydihydrokawain","Riboflavin","2'-O-Methyluridine","PC(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/2:0)","2,6-Diamino-3,5-dihydro-7-(3-thienylmethyl)-4H-pyrrolo(3,2-d)pyrimidin-4-one","Cephalosporin C","Deoxyinosine","15-Deacetylcalonectrin","Demethylspheroidene","L-2,4-Diaminobutanoate","Isofucosterol 3-O-[6-O-(9,12-Octadecadienoyl)-b-D-glucopyranoside]","4'-Thiothymidine","LysoPE(0:0/18:1(11Z))","Ecteinascidin 729","PE(20:3(5Z,8Z,11Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Littorine","Tyrosylhydroxyproline","dinor-Levomethadyl acetate","O-Acetyl-L-serine","PC(2:0/PGE2)","PC(DiMe(11,5)/22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17))","PE(24:0/20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R))","Anthraniloyl-CoA","2-Nonyl-1,4-dioxine","Prolyl","L-Homophenylalanine","PZ-Peptide","Kukoamine B","Phenylalanylasparagine","21-Hydroxy-5beta-pregnane-3,11,20-trione","(S)-2,3-Epoxysqualene","13,14-dihydro-16,16-difluoro Prostaglandin E1","indole-3-glycol","2-Methylbutyroylcarnitine","Bialaphos","3,4-Dihydroxy-9,10-secoandrosta-1,3,5(10)-triene-9,17-dione","L-Sorbose","PGF2a ethanolamide","Abu-Val-OH","Ethyl levulinate","PS(22:4(7Z,10Z,13Z,16Z)/6 keto-PGF1alpha)","PA(17:0/PGF2alpha)","2-Acetamido-4-(D-alanylamino)-2,4,6-trideoxy-D-mannopyranose","Rotigaptide","Eicosadienic acid","Ile-Val-Val","Cyclic pyranopterin monophosphate","DG(22:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)","p-Fluorohippuric acid","Guanosine monophosphate","PC(24:0/LTE4)","Tetracosanoyl-CoA","Kinetin-7-N-glucoside","Glutaric acid","PE(24:0/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","Sclareol","Stearoylethanolamide","AFN911","5-Fluorodeoxyuridine","L-Olivosyl-oleandolide","Aflatoxin G2","13,14-Dihydro PGF-1a","Misoprostol (free acid)","5,6-Indolequinone-2-carboxylic acid","Trihomomethionine","Crustacean erythrophore concentrating hormone","Mespirenone","Tresperimus","9(S)-HpOTrE","Icosadienoic acid","3alpha-Hydroxy-3,5-dihydromonacolin L acid","(+/-)-(e)-4-Ethyl-2-[(z)-hydroxyimino]-5-nitro-3-hexen-1-yl-nicotinamide","(9Z)-Octadecenoic acid","N-Acetylvanilalanine","4-Coumarate","PIP(16:0/PGF2alpha)","(Z)-3-Methyl-3-decenoic acid","FLUFENAMIC ACID","L-Formylkynurenine","Trans-4-Hydroxy-L-proline","Osmanthuside B","LysoPE(16:1(9Z)/0:0)","Isoetharine","Valylglutamine","Lupiwighteone hydrate 7-glucoside","Glutamyl-Valine","Eucalyptone","DG(16:0/0:0/PGE1)","Ethylthiourea","Dehydrosoyasaponin I","Icosenoic acid","PE-NMe2(14:1(9Z)/22:2(13Z,16Z))","(E)-4-(Trimethylammonio)but-2-enoate","4-Methyl-1,4-dihydropyridine-3,5-dicarbaldehyde","gamma-Glutamylisoleucine","7-Mercaptoheptanoylthreonine","Moxifloxacin","(S)-4-[(S)-2-((S)-1-Formyl-4-guanidino-butylcarbamoyl)-pyrrolidin-1-yl]-4-oxo-3-(2-propyl-pentanoylamino)-butyric acid methyl ester","Delta-12-Prostaglandin J2","DG(14:0/PGF1alpha/0:0)","Phenylalanyl-Glutamine","Cinereain","Cucurbitacin I 2-glucoside","4'-N-desmethylolanzapine","Prostaglandin F2alpha","Di-4-coumaroylputrescine","(S)-1-Pyrroline-5-carboxylate","N-Methyl-cyclo(L-Trp-L-Phe)","LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))","PC(P-18:1(11Z)/TXB2)","Biliverdin","LysoPE(14:0/0:0)","6''-O-Malonylglycitin","Loganin","6'-Oxolividamine","Muricatin A","(5S,6S)-6-Amino-5-hydroxycyclohexa-1,3-diene-1-carboxylate","Methyl N-[6-[(4-pyridin-2-ylpiperazine-1-carbonyl)amino]-1H-benzimidazol-2-yl]carbamate","Avermectin B1b aglycone","Partricin A","Avenestergenin A1","Polyporusterone F","PE(20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)/22:4(7Z,10Z,13Z,16Z))","3-hydroxydecanoyl carnitine","Cervonoyl ethanolamide","3alpha,4,7,7alpha-Tetrahydro-4-hydroxy-1H-isoindole-1,3(2H)-dione","2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-Amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]methylamino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid","Brincidofovir","6-Acetyl-2,3-dihydro-2-(hydroxymethyl)-4(1H)-pyridinone","6-Oxo-1,4,5,6-tetrahydronicotinate","ADP ribose 1'',2''-cyclic phosphate","Fluticasone furoate","2-Aminoethylphosphonic acid","Thiamine","PG(a-25:0/5-iso PGF2VI)","Thr Asn Ile Asp","4-Propanoyl-HT2 toxin","Biliverdin-IX-beta","alpha-Methyltryptamine (AMT)","3,6-Ditigloyloxytropan-7-ol","2,6-Dihydroxy-N-methylmyosmine","3''-Deamino-3''-hydroxykanamycin B","PA(20:4(8Z,11Z,14Z,17Z)/LTE4)","ENOXOLONE","Aflatoxin B2","Arachidonate","(Z)-3-Nonen-1-ol","Macrocin","PA(14:0/18:1(12Z)-2OH(9,10))","Serylhydroxyproline","Chembl4238926","5(S)-HPETE","(1R*,3R*,3'S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid","CDP-DG(i-14:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","10-Deacetyl-2-debenzoylbaccatin III","5-Dodecyldihydro-2(3H)-furanone","Benzylsuccinyl-CoA","Bromobenzene-3,4-oxide","Brivaracetam","Adenosine, 8-(butylamino)-N-cyclopentyl-","2-Isopropylmalic acid","5-Hydroxylysinonorleucine","3-[[(2S)-2,4-Dihydroxy-3,3-dimethylbutanoyl]amino]propanoic acid","undecylprodigiosin","Mepartricin B","Fagomine","Perindopril","Anhydrorhodovibrin","Sorbinil","PE(22:1(13Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))","Cefradine","DG(16:0/PGE2/0:0)","Cholylthreonine","DG(18:3(6Z,9Z,12Z)/22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","N-Oleoyl dopamine","7,8-Dihydroneopterin 2',3'-cyclic phosphate","4-Aminoindole","5'-Methylthioadenosine","2-Hydroxyisobutyrate","Asp-His-OH","Naloxazone","Cyclo(D-Trp-D-Asp-Pro-D-Ile-Leu)","PS(22:1(13Z)/22:6(4Z,7Z,11E,13Z,15E,19Z)-2OH(10S,17))","(¡À)10-HDoHE","CP 47,497-C8-homolog C-8-hydroxy metabolite","Pyridoxine","Gibberellin A79","(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate","PE(15:0/20:3(5Z,8Z,11Z)-O(14R,15S))","Gibberellin A75","Roseoflavin","Diprenorphine","Pamatolol","2-epi-5-epi-Valiolone 7-phosphate","PE-NMe(14:1(9Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Verbasoside","PE-NMe2(16:0/16:1(9Z))","(8alpha,10beta,11beta)-3-Hydroxy-4,15-dinor-1(5)-xanthen-12,8-olide","Nocardicin C","N-Acetylleucine","CDP-DG(i-22:0/PGJ2)","Erinacine C","Zidovudine","3,4-Dimethyl-5-propyl-2-furantridecanoic acid","Dehydrodidemnin B","Heliotridine","Talaromycin A","PC(18:3(9Z,12Z,15Z)/22:1(13Z))","Versiconal","PIP(18:2(9Z,12Z)/5-iso PGF2VI)","5-Hexyltetrahydro-2-furanoctanoic acid","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/PGF1alpha)","Sterebin E","Bilirubin","10,20-Dihydroxyeicosanoic acid","DG(17:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/0:0)","Annonisin","5-O-beta-D-Mycaminosyltylonolide","PC(22:0/20:3(8Z,11Z,14Z)-2OH(5,6))","Phenylalanyl-Isoleucine","Caspase-1 Inhibitor VI","Griseolic acid","Imidazoleacetic acid ribotide","Nikkomycin","N¦Å-Acetyl-L-lysine","AcOrn[Oic(2),(alphaMe)Phe(5),dbetaNal(7),Ile(8)]desArg(9)-bradykinin","6-Amino-6-deoxyfutalosine","AG 2034","Hericenone F","Sitoindoside I","N-Methylserotonin","Acetaminophen glucuronide","Atorvastatin","PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PG(i-24:0/5-iso PGF2VI)","Demethyllactenocin","Cys-Gly","Syndesine","CL(10:0/11:0/11:0/12:0)","(9Z,12Z,15Z)-Octadecatrienoic acid","2-(4-Hydroxy-3,5-di-tert-butylphenylthio)-hexanoic acid","Agavasaponin C","5''-Phosphoribosylparomamine","SM(d18:1/18:2(9Z,11E)+=O(13))","Dodecanoic acid","3-Ketosucrose","Deoxyspergualin","2-(3-(2-Aminoethyl)-1h-indol-5-yloxy)acetyl-l-tyrosyl-glycinamide","Hydroxybuprenorphine","8-Hydroxyondansetron","6-(4-(2,2-Di(4-Fluorophenyl)ethylamino)-1-piperidinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine","8-Hydroxy-4(6)-lactarene-5,14-diol","3'-Hydroxy-N-methyl-(S)-coclaurine","KOdiA-PC","5-Oxo-delta-bilirubin","H-D-Asp(OtBu)-OH","Valyl-Tryptophan","Punicic acid","Droxidopa","alpha-Terpineol formate","6'-Oxogentamicin X2","(¡À)-2-Methyl-3-(4-methylphenyl)propanal","3-Phenylpropionylglycine","Methylglyoxal","Oleoyl Ethyl Amide","1H-Indene-1,2(3H)-dione","Phenytoin arene-oxide","PC(PGF1alpha/2:0)","3-Acetyl-11-keto-.beta.-boswellic acid","3-O-Methylniveusin A","Sulfate","LysoPE(0:0/18:0)","Decarbamoylnovobiocin","Embelin","3-hydroxytridecanoyl carnitine","Docetaxel anhydrous","4-Amino-1-[(1S,2S,4S)-4,5-bis(hydroxymethyl)-2-bicyclo[3.1.0]hexanyl]pyrimidin-2-one","4-cholesten-7¦Á,12¦Á,24-triol-3-one","Bacilysin","Germacrone","4'-Oxonebramine","Cardanolmonoene","LysoPE(0:0/16:1(9Z))","tyrosine lactate","6-Maleimidocaproic acid","Adenosine 3'-monophosphate","N-Formylmethionine","4-Ethyl-2-methyloxazole","Dihydrostreptomycin 6-phosphate","Trimethadione","Syrups, hydrolyzed starch, hydrogenated","PE(22:5(7Z,10Z,13Z,16Z,19Z)/TXB2)","L-Urobilin","Phytol","Cofaryloside","Adrenochrome o-semiquinone","DG(2:0/18:1(12Z)-2OH(9,10)/0:0)","L-Arginine, L-asparaginylglycyl-","Porphobilinogen","N-Succinyl-Leu-Leu-Val-Tyr-7-Amido-4-Methylcoumarin, >=90% (HPLC)","9-Oxooctadecanoic acid","Chenodeoxycholyllysine","5-Formiminotetrahydrofolate","Glycolipids","PG(a-25:0/20:3(5Z,8Z,11Z)-O(14R,15S))","Formycin b","4-Hydroxyvalproic acid","L-Pyridosine","Neriantogenin","Sirolimus","Sulfazecin","Hexadecanoic acid","Violaceinic acid","Cyclohexaneundecanoic acid","12-OPDA","cAMP","Hyperforin","Desoxycorticosterone acetate","15-Hexadecenoic acid","Austalide I","N-Desmethylaminopyrine","Urate","N-Desmethyltamoxifen","4'-Apo-beta,psi-caroten-4'-al","15(R)-17-phenyl trinor PGF2¦Á","PS(14:1(9Z)/18:0)","PC(P-18:0/18:3(10,12,15)-OH(9))","Deoxyuridine","3,4-Dihydroxy-2-hydroxymethyl-1-pyrrolidinepropanamide","Phenylacetylglycine","5-cis-15(R)-Iloprost","Thienamycin","5-Fluorodeoxyuridine monophosphate","Estrone glucuronide","Pretyrosine","Fumarate","(10S)-Juvenile hormone III diol phosphate","Valylisoleucine","Plumieride","Melanin","Farnesylcysteine","Budesonide","1-Stearoyl-2-hydroxy-sn-glycero-3-phosphocholine","D-4'-Phosphopantothenate","Allyl cyclohexylacetate","cis-9,10-Epoxystearic acid","HU-211","Narbonolide","Heterophyllin","4-[[2-Methyl-2-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]propanoyl]amino]adamantane-1-carboxamide","Histidylaspartic acid","Phytosphingosine","Rhizoxin","(+)-Isofebrifugine","17,20-dimethyl Prostaglandin F1¦Á","Phosphatidylethanolamine 16_1-18_1","6-Ketomyristic acid","(5S,6R)-Methyl 5,6,7-trihydroxyheptanoate","Cyclic GMP-AMP","N6-(delta2-isopentenyl)-adenosine 5'-monophosphate","Peperinic acid","9-Oxoasimicinone","(2S,3S,4S,5R)-3,4,5-Trihydroxy-6-(5-methyl-2-propan-2-ylphenoxy)oxane-2-carboxylic acid","Fumitremorgin B","2''-O-trans-p-Coumaroylastragalin","TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Coumarin","L-Malic acid","Arachidonoylmorpholine","7,8-Dihydroxanthopterin","(4E,7E,10Z,13E,16E,19E)-docosa-4,7,10,13,16,19-hexaenoic acid","Succinic acid","LysoPC(18:2(9Z,12Z)/0:0)","N-Sulfonyloxy-PhIP","PI(TXB2/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Amarogentin","L-Arginine","Sarcodon scabrosus Depsipeptide","Lysocellin","alpha-Linolenic acid","Moroxydine","4-Bis(2-hydroxyethyl)amino-L-phenylalanine","6-Hydroxyprotopine","2-Arachidonoylglycerol","Dehydrophytosphingosine","Secalonic acid A","Docosahexaenoyl Ethanolamide","Deoxythioguanosine","Gibberellin A20","Galactosylsphingosine","Linoleylanilide","CDP-DG(20:4(5Z,8Z,11Z,14Z)/LTE4)","LysoPE(0:0/20:4(5Z,8Z,11Z,14Z))","DG(18:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)","2,2-Dihydroperoxypropane","Propanidid","DG(15:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0)","Potassium salts of fatty acids","(-)-3-Cyanomethyl-3-hydroxy-1H-indol-2(3H)-one","4-Methylumbelliferyl-6-sulfo-2-acetamido-2-deoxy-beta-glucopyranoside","(4-{4-[2-(gamma-L-Glutamylamino)ethyl]phenoxymethyl}furan-2-yl)methanamine","UDP-3-ketoglucose","6-Hydroxy-3,4-dihydro-2(1H)-quinolinone","Tibalosin","9R,10S-EpOME","N-(1,3-Dihydroxyoctadec-4-en-2-yl)acetamide","(5Z)-7-[(1R,2E,5S)-5-Hydroxy-2-[(2E)-oct-2-en-1-ylidene]-3-oxocyclopentyl]hept-5-enoylcarnitine","Guanidinoproclavaminic acid","Cholesterol glutamate","PE-NMe(20:1(11Z)/20:3(5Z,8Z,11Z))","Trehalose-6,6'-dibehenate","2'-Deamino-2'-hydroxyparomamine","(R)-(6-Methoxy-4-quinolyl)-(5-vinylquinuclidin-2-yl)methanol","Capsoside A","P-Cttlvc-T","Ganoderiol H","PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/LTE4)","PGP(i-24:0/PGE1)","Midecamycin acetate","Cellobiose","Anserine","1-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxypyrimidin-2-one","2-O-Glutaroyl-1-O-palmitoyl-sn-glycero-3-phosphocholine","3-[(3-Methylbutyl)nitrosoamino]-2-butanone","Cholylglutamic acid","UDP-apiose","2,6-Diamino-9-(2-hydroxyethoxymethyl)purine","MG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/0:0)","AzII","Debrisoquine","Sebacic acid","PS(22:4(7Z,10Z,13Z,16Z)/PGE2)","Prolyl-Gamma-glutamate","(2E,5E,12Z,15Z)-1-Hydroxy-2,5,12,15-heneicosatetraen-4-one","PGF1a","3-Dehydroquinate","Methyl (2E)-2-(10,13-dimethyl-11-oxo-3-pyrrolidin-1-yl-2,7,8,9,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-17-ylidene)acetate","CDP-DG(i-14:0/PGE1)","PC(2:0/20:3(8Z,11Z,14Z)-2OH(5,6))","13(S)-HpOTrE","6beta-Hydroxy-17beta-estradiol","Cytochalasin Npho","4-formyl Indole","Perfluorotridecanoic acid","PE(24:1(15Z)/20:4(5Z,8Z,11Z,14Z)-OH(20))","Mocimycin","Palmitoylethanolamine","Pristinamycin IA","S-[2-(N7-Guanyl)ethyl]-N-acetyl-L-cysteine","Microcystin LR","(R)-3-Hydroxy-hexadecanoic acid","Microcystin LW","L-2-Amino-3-methylenehexanoic acid","PE(24:0/PGJ2)","Scopolamine","Dodecanedioic acid","Homodolichosterone","6-Methyl-5-pyridin-4-yl-3,6-dihydro-1,3,4-thiadiazin-2-one","1D-myo-Inositol 1,3,4-trisphosphate","3-alpha(S)-Strictosidine","Examorelin","Gabapentin enacarbil","Tilisolol","UDP-2,4-bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose","TG(14:0/14:1(9Z)/22:2(13Z,16Z))","PE(20:3(8Z,11Z,14Z)/24:0)","26-Hydroxyecdysone","LysoPE(18:2(9Z,12Z)/0:0)","PIP(16:2(9Z,12Z)/PGJ2)","Linalool oxide (cis-pyran)","Dihomo-gamma-linolenate","PS(18:4(6Z,9Z,12Z,15Z)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R))","PC(LTE4/P-16:0)","UDP-N-acetyl-2-amino-2-deoxy-D-glucuronate","7,8-Didemethyl-8-hydroxy-5-deazariboflavin","PC(17:0/20:4(6E,8Z,11Z,13E)-2OH(5S,15S))","PG(a-25:0/22:6(4Z,7Z,10Z,12E,16Z,19Z)-OH(14))","Cyclo(glycylleucylvalylleucylprolylseryl)","3,7,11,15,23-Pentaoxolanost-8-en-26-oic acid","Tecastemizole","Pyridin-2-ylmethyl N-[(2S)-1-[[(2S,4S,5S)-4-hydroxy-1,6-diphenyl-5-(1,3-thiazol-5-ylmethoxycarbonylamino)hexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate","[(1R,5R)-5-(6-Aminopurin-9-yl)cyclohex-3-en-1-yl]methanol","(1R,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione","Tetracycline","Miltefosine","Cyclosquamosin C","Avermectin B1b","Isoleucyl-Valine","Oxypurinol","2-(Arabinosylamino)-3-(glucosylamino)propanenitrile","5'-Deoxyadenosine","1'-Hydroxyversicolorone","Simendan","Homotrypanothione disulfide","Thiamine acetic acid","Tegafur","20-Hydroxy-leukotriene B4","PIP(22:3(10Z,13Z,16Z)/PGF1alpha)","D-Glucuronolactone","Aspartyl-Tryptophan","Auda","Azelaic acid","SM(d20:1/20:3(6,8,11)-OH(5))","Glycyl-Methionine","Ternatin","PA(14:1(9Z)/PGE2)","5,10-Methenyltetrahydrofolate","Androsta-1,4-diene-3,17-dione","PE(18:3(6Z,9Z,12Z)/20:3(6,8,11)-OH(5))","PC(20:0/20:4(5Z,8Z,11Z,14Z)-OH(20))","3',4'-Dihydrodiol","PS(15:0/TXB2)","Medicoside I","LacCer(d18:1/12:0)","Valylproline","3-O-Sulfogalactosylceramide (d18:1/18:0)","3-Oxohexadecanoic acid","Biopterin","cis- and trans-L-Mercapto-p-menthan-3-one","Thr Val Lys Glu","Arbaprostil"],"additional_accession":[]},"is_claimable":false,"name":"Metabolomic analysis of the Portuguese man-of-war","description":"Understanding the toxicity of the Portuguese man-of-war, Physalia physalis is of paramount importance, given its important ecological role and potential threats to human health and other organisms. The tentacles of P. physalis are quite distinct from those of other jellyfish, in that two distinct sizes of nematocysts are located on only one side of the tentacular palpons. To investigate the composition of the toxins or venom of P. physalis, a comprehensive metabolomic analysis of the tentacular palpons was conducted to identify the toxic metabolites present in P. physalis.
","dates":{"publication":"2026-06-30","submission":"2025-07-17"},"accession":"MTBLS12736","cross_references":{}}