Taxonomic and functional annotation of the identified metabolites is a good way to understand the properties of different metabolites. The Human Metabolome Database contains chemical, molecular biology/biochemical and clinical information of metabolites, supports metabolic pathway search and spectral search. KEGG known as Kyoto Encyclopedia of Genes and Genomes, KEGG PATHWAY is the core of KEGG database. Numerous metabolic pathways and the relationships between them could be found in it. In organisms, different metabolites corresponding with each other to exercise their biological functions. The function annotation of Pathway is performed through the KEGG PATHWAY database to determine the main biochemical metabolic pathways involved in the metabolites.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - negative - reverse-phase","Liquid Chromatography MS - positive - reverse-phase"],"chromatography_protocol":["The column used was a BEH C18 column (1.7 μm, 2.1 × 100 mm, Waters, USA). For positive ion mode, the mobile phase consisted of an aqueous solution containing 0.1% formic acid (Solvent A) and methanol containing 0.1% formic acid (Solvent B). For negative ion mode, the mobile phase consisted of an aqueous solution containing 10 mM ammonium formate (Solvent A) and 95% methanol containing 10 mM ammonium formate (Solvent B). The following gradient elution program was applied: 0–1 min, 2% B; 1–6 min, 2%–98% B; 6–8 min, 98% B; 8–8.1 min, 98% B to 2% B; 8.1–10 min, 2% B. The flow rate was set at 0.35 mL/min, the column temperature was maintained at 45 °C, and the injection volume was 5 μL.
"],"publication":["Dynamic Changes and Clinical Significance of Gut Microbiota and Serum Metabolites in Breast Cancer Onset, Progression and Chemotherapy Intervention."],"submitter_affiliation":["Qinghai University"],"submitter_name":["Shuyun Jiang"],"organism_part":["serum"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Take serum samples stored at -20°C (including sample preparation QC), and place them in a 4°C refrigerator to thaw them until no ice cubes are visible in the samples;
Add 100µL of each sample (including QC) to the EP tube, then freeze the remaining samples;
Add 700µL of extractant containing internal standard 1 (methanol: acetonitrile: water=4:2:1, V/V/V), shake for 1min, and place in -20℃ refrigerator for 2h;
25000g 4℃centrifuge for 15min;
Move samples out of centrifuge and transfer 600 µL of the supernatant to a split new EP tube;
Use drying machine to dry
Add 180µL methanol: pure water (1:1 v/v), vortex for 10min, until all dissolved in the reconstituted solution;
25000 g, 4℃centrifuge 15min;
Take the supernatant into a new EP tube
Take 20 μL of each sample and mix into QC samples. Pass prepared supernatant to LC-MS/MS steps
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13634"],"author":["Zhijun Ma. Department of Surgical Oncology, The Affiliated Hospital of Qinghai University. mzjfamai@163.com.","Shuyun Jiang. College of Clinical Medicine, Qinghai University. jsy2400@163.com."],"data_transformation_protocol":["After importing the off-line data of mass spectrometry into compound discoverer 3.3 (Thermo Fisher Scientific, USA) software and analyzing the mass spectrometry data in combination with bmdb (BGI metabolome database), mzcloud database and chemspider online database, a data matrix containing information such as metabolite peak area and identification results will be obtained. After that, the table will be further analyzed and processed.
"],"study_factor":["Treatment"],"submitter_email":["jsy2400@163.com"],"sample_collection_protocol":["We enrolled 295 female participants, categorized into BBD (n = 83), BC (n = 100), and PCBC (n = 88) groups, including 24 patients who provided paired fecal samples before and after chemotherapy. Fecal samples underwent 16S rRNA sequencing, and serum samples were analyzed using LC–MS/MS-based untargeted metabolomics.
"],"omics_type":["Metabolomics"],"study_design":["untargeted metabolites","breast cancer","Serum","Gut microbiota (beta diversity)"],"curator_keywords":["untargeted metabolites","breast cancer","Serum","Gut microbiota (beta diversity)"],"mass_spectrometry_protocol":["Using Q Exactive (Thermo Fisher Scientific, USA) perform primary and secondary mass spectrometry data acquisition. The full scan range was 70–1050 m/z with a resolution of 70000, and the automatic gain control (AGC) target for MS acquisitions was set to 3e6 with a maximum ion injection time of 100 ms. Top 3 precursors were selected for subsequent MSMS fragmentation with a maximum ion injection time of 50 ms and resolution of 17500, the AGC was 1e5. The stepped normalized collision energy was set to 20, 40 and 60 eV. ESI parameters were setting as : Sheath gas flow rate was 40, Aux gas flow rate was 10, positive-ion mode Spray voltage(|KV|) was 3.80, negative-ion mode Spray voltage(|KV|) was 3.20, Capillary temperature was 320°C, Aux gas heater temperature was 350°C.
"],"metabolite_name":["SM(d19:0/18:1(9Z)-O(12,13))","4,6-Dinitro-O-cresol","inositol 1,3,4,5,6-pentakisphosphate","Thiamphenicol glycinate","Creatinine citrate","hydroxychlorpromazine","PA(18:3(9,11,15)-OH(13)/i-17:0)","Corticosterone","N(4)-Methylcytosine","PE(LTE4/DiMe(9,5))","PG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/i-24:0)","Ethalfluralin","N-butylphenylnitrone","Refametinib","Acetoxyacetone","N-(3-Methoxyphenyl)-4-chlorocinnamanilide","cis-2-Chloro-4-carboxymethylenebut-2-en-1,4-olide","(2S,4S)-Ketoconazole","Chloroethyl nitrosourea","2,3,4-Trinitrobenzene-1-sulfonic acid","Uridine 2',3'-cyclic phosphate","Oxonol","Methylarbutin","Protease-Activated Receptor-4","erythro-6,8-Hentriacontanediol","Minaxolone","1-Naphthalenesulfonyl chloride","PE(PGJ2/18:4(6Z,9Z,12Z,15Z))","N-Succinyl-2-amino-6-ketopimelate","LysoPC(0:0/18:2(9Z,12Z))","Mitozolomide","Aypgkf","DG(22:5n6/0:0/22:5n3)","Urolithin a 8-glucuronide","Cinnamyl anthranilate","Quercetin 3-sulfate","PG(20:3(8Z,11Z,14Z)-2OH(5,6)/i-15:0)","Attophos","Petunidin","2,5-Dihydroxybenzenesulfonic Acid","Carprofen","beta-Citraurol","Neocretanin","Octacosane","3-Hydroxyquinolin-2(1h)-One","Glucoconringiin","1,1-Dibromo-2-propanone","Methaneselenol","DG(14:1(9Z)/14:0/0:0)","Peroxydisulfuric acid","Potassium hydrogen sulfate (KHSO4)","Edta oxalate","PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))","DG(16:1(9Z)/15:0/0:0)","4-Methylcoumarin","Isoferuloyl C1-glucuronide","Cyclohexylamine","Crimidine","Methylglutaric acid","N-Nervonoyl Aspartic acid","Fumaronitrile","Ombitasvir","Sodium alum","Pyridine-N-oxide","Polysorbate 20","gamma-Glutamyltryptophan","PC(16:0/18:0)","2-Amino-4,6-dichloropyrimidine-5-carbaldehyde","2,5-Dichloro-carboxymethylenebut-2-en-4-olide","1-(4-Carboxyphenyl)-3,3-dimethyltriazene","N,N-dihydroxy-L-tryptophan","Sarmentosin","Silodosin","4-(Trifluoromethyl)benzoic acid","PE(MonoMe(9,5)/MonoMe(9,5))","DG(16:0/15:0/0:0)","Squamosinin A","LysoPC(14:0/0:0)","4-Methylcatechol sulfate","Isodesmosine","Heptacarboxyporphyrin","2-O-Caffeoyltartronic acid","Chenodeoxycholylmethionine","1H-1,2,4-Triazole-3-carboxamide","Fludiazepam","Iophenoxic acid","Arginylglycine","2-(1-Ethoxyethoxy)propanoic acid","2-(Dodecyloxy)ethanol","L-Glyceric acid","Thiazolidine-4-carboxylic acid","(3E,7E)-4,8,12-Trimethyl-1,3,7,11-tridecatetraene","2,5-Dimethoxy-4-chloroamphetamine","3,5,7-Trimethylepicatechin","Mesalamine","3-(4-Methoxyphenyl)-2-methyl-2-propenal","2,4-Dimethyl-1,3-oxazole-5-carboxylic acid","Hexacosane","1-Caffeoylquinic acid","Diazoxon","hydroxycarbonate","PS(18:0/14:1(9Z))","Glyuranolide","PE(18:1(9Z)-O(12,13)/P-18:1(9Z))","Florasulam","Ponticaepoxide","Diphenyl phosphate","Amitrole","PI(5-iso PGF2VI/16:0)","Aflatoxin B1 aldehyde","Pyriminobac-methyl","Crocin 3","D-Malic acid p-coumarate","4-Methoxybenzenepropanol 1-(2-sulfoglucoside)","Xanthotoxol glucoside","Ethylene glycol dinitrate","Furilazole","Glycocholenate sulfate","Carmustine","Aminoadipic acid","Nonanoylcarnitine","3-(3,4,5-trimethoxyphenyl)propanoic acid","QUIZALOFOP-ETHYL","4-Methoxybenzaldehyde","Mosinone A","IB-Meca","Chlordecone alcohol","Picolinoylglycine","Chlorambucil-tertiary butyl ester","desbutyl-lumefantrine","Alpha-linolenyl carnitine","Metoprine","Carbidopa","PE(DiMe(13,5)/DiMe(13,5))","Cyclonite","Ferric pyrophosphate - sodium citrate","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z))","Almecillin","Atecegatran","Corchoionoside B","L(-)-Carnitine","Cer(d17:1/18:1(12Z)-2OH(9,10))","Isophthalamide","Dihydroisorhamnetin","Cridanimod","Lamivudine-triphosphate","Pentafluorobenzenesulfonyl chloride","Protocatechuic acid 4-glucoside","Disodium hydrogen citrate","Phenylalanylglycine","Teleocidin B 2","Tylosin","Thiophene, 2-nitroso-","fructose-6-phosphate pyruvate","Cyclic-hpmpc","Hydroxytriamterene sulfate","Cer(d18:0/24:1(15Z))","4-Amino-1-(6-aminopurin-9-yl)pyrimidin-2-one","Multiflorin A","2-(1-Hexyloxyethyl)-2-devinyl pyropheophorbide-a","Adenosine","D-threo-isocitrate","PC(16:0/18:1(9Z))","4-Chloro-6,7-dimethoxy-2-benzoxazolinone","TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:1(13Z)/O-18:0)","12-Dehydroporson","Dihydro-3-methyl-2(3H)-furanone","Cyasterone","Cloxazolam, (R)-","Secnidazole","Guanidoacetic acid","Aconitic acid","Linoleic acid","PC(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/P-16:0)","(4S,6R)-p-Mentha-1,8-diene-6,7-diol 7-glucoside","Ximenoylacetone","6-Thioxanthylic acid","1,1'-[1,13-Tridecanediylbis(oxy)]bisbenzene","Calcium diphosphate","PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/8:0)","Campesterol","SM(d18:1/18:1(11Z))","Phosphocitrate","PA(i-24:0/i-21:0)","Glucose-6-phosphate lactate","Citrusin III","L-quinate","Quindoxin","Bisphenol AF","Melatonin","Dipiperamide E","Violacein","5-Hydroxynorvaline-betaxanthin","Cinolazepam","Methionyl-Glycine","Gris-PEG","2-Isopropyl citrate","DG(5-iso PGF2VI/0:0/i-14:0)","Methylisothiazolone","Lifibrate","PC(18:0/20:3(5Z,8Z,11Z))","Eucalyptol","PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/14:1(9Z))","Dichlorodifluoromethane","(2E)-Hept-2-enoylcarnitine","Laccaic acid D","L-(-)-Methionine","PG(18:3(9Z,12Z,15Z)/18:1(9Z))","Diellagilactone","Urolithin-3-sulfate","Anb-nos","Bis(trifluoroethyl)carbamodithioic acid","gamma-Glutamylleucine","2',3'-Dideoxy-3'-fluorouridine","PE(20:3(6,8,11)-OH(5)/24:0)","3-O-Methyl-a-methyldopa","(24S)-7alpha,24-Dihydroxycholesterol","Lepidiumsesterterpenol","adenylo-succinate","PGP(i-13:0/i-21:0)","Chloropentafluoroethane","Sorbic acid","DG(a-25:0/0:0/a-17:0)","N(G)-Nitroarginine-4-nitroanilide","1,1,1-Trifluoro-3-hydroxypropan-2-one","Nitrofurazone","Buprenorphine","p38 MAP Kinase Inhibitor","Mumefural","Cucurbituril","4-Nitrobenzaldehyde","Pentaerythritol mononitrate","9-Ethylguanine","Troleandomycin","LysoPE(0:0/16:0)","Iodoproxyfan","Fosfluconazole","Molybdopterin precursor Z","Desethylchloroquine","4'-Methylepigallocatechin","4-Heptenoic acid","Monardaein","Coriandrinol","Betanidin","6'-Hydroxylutein","L-Threonic acid-1,4-lactone","PC(18:1(9Z)-O(12,13)/15:0)","Thiourea","Policapram","PE(P-18:1(9Z)/24:0)","Paroxetine","Cloethocarb","3-Acetyl-2,5-dimethylfuran","Bis(2-ethylhexyl)adipate","Galactosylceramide (d18:1/14:0)","Citflavanone","Citraconic anhydride","Gavestinel","Pisumoside B","pyridine-3,4-diol","gamma-Glutamyl-2-aminobutyrate","Phthalamic acid","Diglyme","PA(20:4(8Z,11Z,14Z,17Z)/15:0)","Etidronic acid","5-Decanoyl-2-nonylpyridine","Sanguisorbic acid dilactone","Foliandrin","CE(MonoMe(13,5))","CE(20:0)","trans-2-Hexyl-1-cyclopropaneacetic acid","2,4-Dinitrofluorobenzene Sulfonic Acid","1-(Malonylamino)cyclopropanecarboxylic acid","Ethiazide","PA(20:4(5Z,7E,11Z,14Z)-OH(9)/i-18:0)","11-Mercapto-1-undecanol","1-Phenyl-2-decanoylamino-3-morpholino-1-propanol","O-(N-Phthalimido)acetophenone","(2R,3S)-Piscidic acid","Oxonorfloxacin","N-carbamoylglutamic Acid","dADP","TG(22:1(13Z)/14:0/22:1(13Z))","3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate","Ethyl 2-propene sulfinate","Gynocardin","PIP(18:1(9Z)-O(12,13)/22:5(7Z,10Z,13Z,16Z,19Z))","Benzophenone","5-[(3S)-1,2-dithiolan-3-yl]pentanoyl-CoA","S-Methylthiocitrulline","(D-Ala1)-Peptide T","3-Bromosulfolane","Acrimarine I","DG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/10:0)","Hydroflumethiazide","2-Amino-9-(6-oxo-1H-purin-9-yl)-1H-purin-6-one","Phosphogluconic acid","Dehydro-beta-carotene","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:1(11Z))","Hexaflumuron","2-(alpha-hydroxyethyl)thiamine diphosphate","1-(2-Chloroethyl)aziridine","1-deoxy-L-glycero-tetrulose 4-phosphate","N-(5-Amino-2-hydroxybenzoyl)glycine","PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","2-sec-Butyl-3-methoxypyrazin","beta-D-ribosylnicotinate","Hentriacontane-14,16-dione","9-Carboxymethoxymethylguanine","Olvanil","Calycin","Resorcinol sulfate","Potassium bromate(V) (KBrO3)","2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine","6-Methyl 2-galloylgalactarate","Dimethyl mercaptosuccinate","Fimasartan","Zolpidem","(2-Chlorophenyl)methyldiazene","4-Methylumbelliferone sulfate","Transfluthrin","tryptophan glutamate","BEFLOXATONE","threo-hydroxyaspartic acid","Diphenidol","Guanidine","Chenodeoxycholic acid glycine conjugate","Ethane-1,1-diamine","Glyoxylic acid","p-Aminophenazone","Tejedine","4(1H)-Pteridinone, 2-amino-6-methyl-","Dichlorophenyl-bis-triazolylpropanol","PA(PGD1/8:0)","PA(18:1(9Z)-O(12,13)/i-22:0)","Melengestrol acetate","PG(20:3(8Z,11Z,14Z)-2OH(5,6)/i-19:0)","gamma-Chlordan","3-Methylnonanedioylcarnitine","N-Linoleoyl Methionine","Pyroglutamine","Monoiodothyronine","13,16,19-Docosatrienoic acid","Butriptyline","(2S,4S)-Pinnatanine","Leucodelphinidin 3-[galactosyl-(1->4)-glucoside]","Dimethylphosphate","Hippuric acid sulfate","Musk xylene","Citpressine II","Tamsulosin","PGP(i-14:0/i-13:0)","Flavopiridol","Goshonoside F6","Ttatpn","Goshonoside F5","Benzo[k]fluoranthene","Castacrenin C","Eicosen-1-ol","MG(16:0/0:0/0:0)","7-Aminodesmethylflunitrazepam","6-Hydroxyluteolin 7-rhamnoside","1-Naphthol","beta-Doradecin","Azacosterol","Formononetin-B-D-glucuronide sodium salt","Janthitrem E","Pyrohyperforin","PC(14:0/18:2(9Z,12Z))","Ochratoxin C","Maclurin","Cer(d18:1/14:0)","PE(P-18:0/14:0)","Valoneic acid dilactone","L-Threonine","Sodium sulfate","1-Fluoro-2,3-dinitrobenzene","CDP-DG(TXB2/i-12:0)","PG(18:1(9Z)/18:0)","Cycloaltilisin","TG(24:1(15Z)/15:0/22:2(13Z,16Z))","2-Hexaprenyl-6-methoxyphenol","Fenugreekine","1,3-Dichloro-2-propanol","5-L-Glutamyl-taurine","Felodipine","BL V","Vinclozolin M2","PE(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/P-16:0)","Sulfatroxazole","PG(18:1(9Z)-O(12,13)/i-14:0)","8-Hydroxyguanosine","kaempferol 3-O-rhamnoside","Edetic Acid","5-Hydroxypyrazine-2-carboxylic acid","1,4-Pentadien-3-one, 1,5-diphenyl-","Dimethylprotoporphyrin IX dimethyl ester","N6-(delta2-isopentenyl)-adenosine 5'-diphosphate","4,4'-Diphenylmethane diisocyanate","Guanosine diphosphate adenosine","8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid","PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","1-Methyl-2-hydroadenosine","Lupeoside","9-Methylxanthine","N2,N5-Diacetylornithine","24-Methylcycloart-23-en-3beta-yl acetate","Epitheaflavic acid 3'-gallate","erythro-6,8-Nonacosanediol","Loperamide","Metaphosphoric acid","Ala-Hyp-Gly","TG(22:0/16:1(9Z)/22:0)","DG(20:4(5Z,7E,11Z,14Z)-OH(9)/0:0/i-14:0)","Homovanillyl alcohol sulfate","triazaacenaphthylene","Fenfluramine","Methyl methylthio selenide","N-Acetylglutamine","Dichloroisoproterenol","4-Methylgallic acid 3-glucuronide","3',4',5'-Trimethoxyflavonol","Ammonia glutamate","Glucose-uridine-C1,5'-diphosphate","Glucosyringic acid","Curium","2,5-Dibenzyl-3-hydroxy-6-methoxypyrazine","TG(24:0/15:0/22:4(7Z,10Z,13Z,16Z))","1-(3,5-Dichlorophenyl)pyrrole-2,5-diol","6-Thioinosine-5'-monophosphate","TG(18:2(9Z,12Z)/15:0/18:3(9Z,12Z,15Z))","2-Propyl-2,4-pentadienoic acid","DG(PGJ2/0:0/2:0)","Dopamine","Aspartyl-Leucine","Navitoclax","Amaranthin","(2E)-4-hydroxy-3-methylpent-2-enedioyl-CoA","alpha-Fluoro-beta-ureidopropionic acid","Tamoxifen","Manganese citrate","Myricetin 3-arabinofuranoside","Aspartyl-Gamma-glutamate","Peonidin 3-xyloside","Brevifolincarboxylic acid 9-sulfate","PS(18:3(9,11,15)-OH(13)/15:0)","Chlorphenacil","3,5-Dihydroxycinnamic acid sulfate","Phenolate oxygen","6-Amino-9H-purine-9-propanoic acid","PG(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-19:0)","Biurea","2-Iodo-l-phenylalanine","Benzofenap","PGP(18:1(9Z)-O(12,13)/i-17:0)","Cuminaldehyde","(8Z,11Z)-Icosa-8,11-dienoylcarnitine","Pipecuronium","Dinophysistoxin 2","L-Kynurenine","Creatine","Pentafluoropropionic acid","8-Azaxanthine","Bctc","TRIMETHYL PHOSPHATE","L-2-Aminoadipate adenylate","N-(3-acetamidopropyl)pyrrolidin-2-one","Tetrafluoroethylene","Clopenthixol decanoate","trans-2-Dodecenoylcarnitine","CDP-DG(18:2(9Z,11Z)/18:2(9Z,11Z))","Isovelarylcarnitine","DG(18:3(9,11,15)-OH(13)/0:0/i-21:0)","PGP(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-14:0)","Sulforaphane-glutathione","butanoyl-CoA","Cerasidin","TG(24:1(15Z)/15:0/22:5(7Z,10Z,13Z,16Z,19Z))","Mulberrofuran M","3-carboxy-2,3-dihydroxypropanoate","Cyanuric acid","Plastoquinone 9","DG(PGF1alpha/0:0/i-13:0)","2-Bromoacetaldehyde","17-AAG","Triazolo-benzophenone","5'-Sulfamoyl-2-chloroadenosine","Tungstic acid","Adipic acid","Mulberrofuran P","4-Iodophenol","Ellagic acid glucoside","TG(22:2(13Z,16Z)/16:0/O-18:0)","N-Acetyl-3-(nitrosulfanyl)-L-valine","Pyrogallol-2-O-glucuronide","Sodium fumarate","Chloroquine","N-Nervonoyl Phenylalanine","Flunoxaprofen","N-acetyltryptophan","H-Phe-D-met-arg-phe-NH2","PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","gamma-L-Glutamyl-L-glutamic acid","Potassium metaphosphate","Melissic acid A","PG(18:1(12Z)-2OH(9,10)/i-22:0)","Heptenophos","Sodium diacetate","Theogallin","serine thiol","Chlorine","bendiocarb","DG(13M5/13M5/0:0)","N-gamma-Glutamylglutamine","1-(3-Chlorophenyl)pyrrolidine-2,5-dione","PC(18:3(9,11,15)-OH(13)/P-16:0)","Ceramide 1","1-Hydroxypyrrole-2,5-diol","Fludarabine","Hexafluorobenzene","Sulconazole","Cyclic ADP-ribose","Dbd-cocl","n-docosahexaenoylethanolamine","Sodium hydrogen sulfate","Quassimarin","PC(PGF1alpha/24:0)","Uroporphyrin I","L-(+)-Citrulline","TG(22:0/15:0/O-18:0)","Sodium diphosphate (Na4(P2O7))","Caproic acid","5-Amino-6-(5'-phosphoribitylamino)uracil","Food orange 7","Pteroic acid","4-Pentenoic acid, 2-fluoro-2-propyl-","Cetyl myristoleate","Vitamin A","Fenhexamid","Ethyl 5-oxotetrahydro-2-furancarboxylate","5-Feruloylquinic acid","Norbadione A","Ampelopsin C","Tanshinol A","Europium","PE(5-iso PGF2VI/P-18:1(9Z))","Stearamide","O-Methylisourea","Sparfosic acid","Phenyl dihydrogen phosphate","Hydrogen carbonate","Glucoputranjivin","Gomphidic acid","(R)-Mevalonic acid-5-pyrophosphate","D-Kynurenine","Hentriacontane","Selenocysteine","12-Hydroxydodecanoic acid","Sedanolide","Vitisin B","3-Hydroxy-4-butanolide","Quinclorac","PG(PGJ2/i-17:0)","5-Pentacosenylresorcinol","Taurine aspartate","N4-Acetylcytidine","Homochlorcyclizine","Inflatine","Sitostanol-beta","Cyanidin 3-O-(6''-acetyl-arabinoside)","Methyclothiazide","Bicarbonate oxygen","Ergotaminine","Arsenic","Chlorthiamid","Butoconazole","3-Methoxycatechol sulfate","5'-Phosphoribosyl-N-formylglycinamide","3-Sinapoylquinic acid","Magnesium phosphate (Mg3(PO4)2)","Penoxsulam","Sulpiride","4-Hydroperoxycyclophosphamide","PE(24:1(15Z)/15:0)","Lauryl gallate","Skatole","Stigmastanol","Firsocostat","DG(TXB2/0:0/10:0)","Cyananin","Lucyoside N","CE(DiMe(9,5))","1-(9H-Pyrido[3,4-b]indol-1-yl)-1,4-butanediol","Quilostigmine","6-Aminocoumarinhydrochloride","Teneligliptin","5-Carboxytetramethylrhodamine succinimidyl ester","Pendetide","serine-glyoxylate","Hexyl 2,5-dichlorophenylphosphoroamidate","Magnolol","Methyl-tert-butyl ether","N-Desmethylrosuvastatin","Polyribosylribitolphosphate","Methyl 3-(chlorosulfonyl)thiophene-2-carboxylate","Isothiazole","Choline","gamma-Aminobutyric acid (GABA)","trihydroxyflavone","S-(1,2-Dichlorovinyl)glutathione","Tricosanoylcarnitine","TG(14:1(9Z)/18:2(9Z,12Z)/14:1(9Z))","N-Vinylpyrrolidine","6-O-Desmethyl-mycophenolic acid","8'-Apo-b-caroten-8'-ol","Cholesterol phosphate","Lepidine","PS(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/15:0)","solasodine 3-O-beta-D-glucopyranoside","Endralazine","LysoPE(P-18:1(9Z)/0:0)","4-coumaroyl-4'-hydroxyphenyllactate","Deepoxy-deoxynivalenol","6-Oxopiperidine-2-carboxylic acid","5-Bromotryptophan","Medina","Aniline","Dihydroferulic acid 4-O-glucuronide","Quilseconazole","Fasentin","(S)-2-Acetamido-3-(4-chlorophenyl)propanoic acid","Prosapogenin","(E)-Avenanthramide D","Fura-2","saikosaponin B1","N-Ribosylhistidine","2,3-Diphosphoglyceric acid","N-Oxo-3-pyridinecarboxamide","Asparagine-betaxanthin","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:0)","TIFLAMIZOLE","Daurisoline","1,2,4-Benzotriazin-3-amine","4-Quinolinamine, N-hydroxy-, 1-oxide","(3-Nitroamino)alanine","2-Furoic acid","3,4-Dehydrochlorambucil","N1-Methyl-2-pyridone-5-carboxamide","Glycyl-L-leucine","PA(20:3(8Z,11Z,14Z)-2OH(5,6)/i-13:0)","L-Aspartic acid","3,4-dihydroxyphenylpyruvate","PA(18:3(9,11,15)-OH(13)/i-22:0)","Tretazicar","2',7'-Bis(carboxyethyl)-5,6-carboxyfluorescein","PE(5-iso PGF2VI/18:4(6Z,9Z,12Z,15Z))","Cytidine-5'-diphosphocholine","Stattic","2-Aminomethyl-4-t-butyl-6-iodophenol","2,2,2-Trifluoro-N-(2-nitrophenyl)acetamide","N5-Acetyl-N2-gamma-L-glutamyl-L-ornithine","Tecoflex","p-Hydroxyphenyl-phenylhydantoin","L-Aspartyl-4-phosphate","DL-Carbidopa","PI(TXB2/20:2(11Z,14Z))","Nitrazepam","Glutamate nitrogen","PC(24:1(15Z)/18:0)","Xylan","magnesium-protoporphyrin IX 13-monomethyl ester","Leucine","2-Hydroxy-3-morpholinopropanesulfonic Acid","Glucolepidiin","Ara-C triphosphate","Dihydrothymine","Riodipine","Tri-hydroxymethylaminomethane","Clonidine","Epsilon-caprolactam","Cymorcin diglucoside","SM(d18:0/23:0)","D-(+)-Proline","D-Glucuronic acid 1-phosphate","2-[(2R)-2-Aminopropyl]-5-hydroxybenzoic acid","Perifosine","9-(4-Fluoro-3-(hydroxymethyl)butyl)guanine","Defibrotide","(S)-MHD","Lewis X antigen","4-O,6-O-Benzylidene-alpha-D-glucopyranose","O-acetyl-ADP-ribose","(Z)-22-Hentriacontene-2,4-dione","Mizoribine","Hematein","Sulfite","Parabanic Acid","PC(O-20:0/18:3(9Z,12Z,15Z))","N-Methoxycarbonylanonaine","PIP(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)","DG(i-22:0/0:0/8:0)","Norbuprenorphine","22-Acetylpriverogenin B","PE(P-18:1(9Z)/20:0)","4'-Hydroxy Aceclofenac","Lac Dye","PA(20:4(5Z,7E,11Z,14Z)-OH(9)/i-14:0)","Cer(d18:0/12:0)","Lipoyl-AMP","Saracatinib","Lactyltrimethylammonium betaine","Skimmin","Sucrose 6-phosphate","Lumazine","Lanostane","Acidissiminol","delta-Valerolactam","(1x,2x)-Guaiacylglycerol 3-glucoside","Carboxyatractyloside","DG(a-25:0/0:0/12:0)","Melatonin glucuronide","Peliglitazar","SM(d18:1/14:0)","PGP(i-14:0/i-12:0)","Lamivudine-monophosphate","Pemirolast","5-phosphonooxy-L-lysine","8-Hydroxy-7-methylguanine","uric acid citrate","DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/10:0)","Tetracosyl ferulate","Sec-butyl acetate","Paraoxon","Scoparone","24-Acetyl- 25-cinnamoylvulgaroside","CMP-2-aminoethylphosphonate","Nitecapone","PG(5-iso PGF2VI/20:3(8Z,11Z,14Z))","Bis(2-methylphenyl) hydrogen phosphate","Quinocetone","Papilioerythrinone","Daphniphylline","TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/14:1(9Z)/O-18:0)","Pirsidomine","Resveratrol 4'-(2-galloylglucoside)","Bitopertin","PGP(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-18:0)","Lamotrigine","DL-Asparagine","Quercetin 3-(2-caffeoylglucuronoside)","Carbofuran","16-Deacetylgeyerline","Squaric acid","PC(O-16:1(9Z)/18:0)","N-Nervonoyl Threonine","Triacetic acid","delta-9-tetrahydrocannabinolate","Butyrylcarnitine","Iloperidone","Bz-Ile-glu-gly-arg-pna","4-Hydroxy-3-nitrophenyl acetate","Triazolam","LysoPC(P-16:0/0:0)","2-Aminoethyl carbamimidothioate","Pentadecanoylcarnitine (C15)","SM(d20:1/18:1(12Z)-2OH(9,10))","Pentafluorophenyl isothiocyanate","Dulcisflavan","N-(3,5-Dichlorophenyl)-2-hydroxysuccinamic acid","Pseudouridine","CMP-3-deoxy-D-manno-octulosonate","Secoisotetrandrine","HMBOA-Glc","2-Methylglutaric acid","3',5'-Dideoxythymidine","Asparaginyl-Lysine","Eltenac","3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acid","Trypanothione disulfide","Tiglylcarnitine","5-Fluorouridine monophosphate","Imidacloprid","3,5-Dinitrophenol","4-maleyl-acetoacetate","1,8-Naphthalimide","(2S)-2-Amino-5-aminooxy-5-oxopentanoic acid","6'-O-Galloylsucrose","LysoPE(22:0/0:0)","tilorone","Peldesine","Cabotegravir","L-Glutamic acid 5-benzyl ester","7-Acetamidoclonazepam","Inhibitor 60","Allyl chloride","Octafluorocyclobutane","p-Nitrophenyl thymidine 5'-monophosphate","2-Hexadecanoyloctadec-9-enal","Acetyl-beta-methylcholine","Phenacyl","Luliconazole","6-CFDA N-succinimidyl ester","Azothoate","DG(PGD1/0:0/i-22:0)","Gallagic acid","3-Sulfinylpyruvic acid","Monepantel","1-(4-(1-Azepanyl)-2-butynyl)azepane","Epomuricenin B","Diallyl 2,2'-oxydiethyl dicarbonate","Haloxyfop-methyl","Tris(1,3-dichloro-2-propyl)phosphate","Lansoprazole sulfone","DG(15:0/14:0/0:0)","(S)-Ureidoglycolic acid","Oleuropein-aglycone","Amphibine H","Anamorelin","TG(19:0/20:0/i-18:0)","Cucurbitin","Dinofenate","anthracen-9-ol","N'-Hydroxyneosaxitoxin","Uralene","PA(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/19:2(10Z,13Z))","Perfluorotetradecanoic acid","L-Canaline","trans-3-Chloroallyl aldehyde","Dichlorvos","Bendroflumethiazide","3,5-Dichlorophenyl","8-Cyano-fluoroquinolone","PA(22:1(13Z)/20:1(11Z))","rebeccamycin","TG(18:0/8:0/8:0)","L-Oxalylalbizziine","Melphalan Flufenamide","(2-Methylphenyl) Dihydrogen Phosphate","Tonapofylline","Dabigatran","1,1,1,3,3-Pentafluoropropane","Ethyl gallate 3-sulfate","Diazepine","2-(4-Methyl-5-thiazolyl)ethyl octanoate","(-)-1-Cyclohexyl-4-tricosanol","Mesoxalonitrile","Cytosine arabinose-5'-phosphate","Mono-(2-ethyl-5-carboxypentyl) phthalate","(5Z,14Z,17Z)-Henicosa-5,14,17-trienoylcarnitine","Lauroyl diethanolamide","Alkaloid A","Glutarylcarnitine","PA(TXB2/10:0)","Thamnosin","PA(5-iso PGF2VI/8:0)","L-3-Amino-2-(oxalylamino)propanoic acid","Isoniazid","4-Ethoxy ethylbenzoate","6''-O-Acetylholocalin","Isobutylidene","2-Amino-5-iodo-6-phenyl-4-pyrimidinone","(3b,24R,25x)-26-Benzoyloxystigmast-5-ene-3-ol","4-amino-2,6-dinitrotoluene glucoside","Dodecanoylcarnitine","3-Methylglutaconic acid","Lornoxicam","5-Cholesten-3beta-25-diol-3-sulfate","LysoPC(0:0/20:4(5Z,8Z,11Z,14Z))","ethyl 4-hydroxybutanoate","kaempferol 7-O-neohesperidoside","2',3'-Didehydro-2',3'-dideoxycytidine","Bz-Camp","Erythro-4-hydroxy-L-glutamate(1-)","alpha-Spinasterol gentiobioside","Melevodopa","methoxyhedyotisol A","Dslet","Bis(3',5')-cyclic diguanylic acid","Malaoxon","Ethyl beta-D-fructofuranoside","Phorbol 12-myristate 13-acetate","ascorbic acid citrate","Avenanthramide P","Fluralaner","Methylphosphonfluoridate","N-Nitramido-N-phenylnitramide","3-Nitrobenzaldehyde","PIP(18:3(9,11,15)-OH(13)/22:3(10Z,13Z,16Z))","2-(2-Chlorobenzamido)acetic acid","Triflusal","Malonylglycine","2,4,6-Trinitrotoluene","xanthurenic acid 8-O-sulfate","Sitagliptin","Lentialexin","2-Methacryloyloxyethyl phosphorylcholine","Clitocine","Avenanthramide K","4-Nitroquinoline N-oxide","PS(20:3(8Z,11Z,14Z)-2OH(5,6)/14:1(9Z))","D-Glucaro-1,4-lactone","Leonuriside A","Glycylproline","4-Trimethylammoniobutanoic acid","Pyrroloquinoline quinone","6,8-Di-C-beta-D-arabinopyranosylapigenin","2,4,6-Triethyl-1,3,5-oxadithiane","Thyroxine glucuronide","SM(d19:1/18:1(12Z)-2OH(9,10))","ferrileghemoglobin","4-Coumaric acid","Creatine phosphate lactate","Hexafluoropropylene oxide","Sphondin","Fenitrooxone","PC(O-18:1(9Z)/16:0)","chlorophyllide a","Alfafuran","DG(TXB2/0:0/i-22:0)","1,3-Difluoroacetone","5-Hydroxy Dantrolene","alpha-D-xylose 1-phosphate","2-methyl-6-solanyl-1,4-benzoquinol","3-Oxalomalic acid","Elastin","3-Nitro-2-nitrooxybenzoic acid","Sulfacarbamide","(1S,2R)-Naphthalene 1,2-oxide","7-Methyl-2'-deoxyguanosine-3'-monophosphate","Norfloxacin","Glisentide","Cer(d18:1/24:1(15Z))","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)","PC(18:0/18:1(11Z))","cholest-5-en-3b-yl (9Z-tetradecenoate)","Diethyl sulfate","2,3-Methyleneglutaric acid","6-Aminopurin-8-one","TRIETHYL PHOSPHATE","furaneol (keto form)","beta-N-Methylamino-L-alanine","Egtazic acid","Methyl gallate","Ivacaftor","monophospho-n-acetylneuraminic acid","Acetohydroxamic acid","Dihexadecyl hydrogen phosphate","Azinphosmethyl oxon","3-Methoxyanthranilate","PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/10:0)","5'-Phosphoribosyl-N-formylglycinamidine","H-D-Tyr-val-gly-OH","isoquinoline-1-carboxamide","2-Acetylfuran","4',6-Dichloroflavan","PC(18:2(9Z,12Z)/19:0)","apicidin","glutathioselenol","Mecoprop","Dehydroepiandrosterone (DHEA)","Vinaginsenoside R1","1,1-Dichloroacetone","1,4-Diacetoxy-2,3-dicyanobenzene","phosphinomethylmalate","Geranyl pyrophosphate ammonium*200 UG/VI AL","Scutellarein 7-glucuronide","3b,12a-Dihydroxy-5b-cholanoic acid","Adenosine 2',3'-cyclic phosphate","Mubenin B","PE(MonoMe(9,5)/DiMe(9,3))","N-Acetyl-serylaspartic acid","5-Methoxy-galloyl-1,4-galactarolactone","PIP(18:1(12Z)-2OH(9,10)/20:2(11Z,14Z))","Arachidyl carnitine","5'-Deoxy-5-fluorocytidine","Valine","ROSAMICIN","Lactose citrate","Potassium","PG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/i-15:0)","Heptachlor","Iodohistamine","Oxychlordane","Tricin 7-diglucuronoside","Isofezolac","Emricasan","Tripoxyrollin","manidipine","PA(18:1(9Z)-O(12,13)/a-25:0)","Sulfobutyl ether","1,1-Dichloroheptane","Tiglic acid","Ethyl methacrylate","Nicotinamide ribotide","alpha-Cephalin","PS(20:4(8Z,11Z,14Z,17Z)/20:5(5Z,8Z,11Z,14Z,17Z))","Itaconic acid","Piroxicam","Glycerophosphoric acid","3-chlorobenzoate","Uracil mustard","Propylene carbonate","Verteporfin","Methionine sulfone","2-(Phosphonomethyl)pentanedioic acid","Phosphocysteamine","Daminozide","Ginsenoside Rh8","4-Acetamidobutanoic acid","Dexbrompheniramine","Selinexor","2,2,2-Trifluoroethyl","Potassium bromide (KBr)","Heptulose","Cinnamtannin D1","Fluorothymidine","Ginsenoside Rh5","(+/-)-Fenarimol","Sodium sorbate","Fipronil sulfone","10-Octacosene-1,12-diol","Isoquinoline","Dodecyl ether","Iron(II) citrate","PG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-22:0)","2-(2-Hydroxypropan-2-ylamino)propan-2-ol","sn-glycero-3-Phosphoethanolamine","Sodium phosphate (Na3PO4)","9-Aminocamptothecin","Propinol adenylate","3-phospho-hydroxypyruvate","Artonin K","Glycyl-tyrosyl-glycine","Nafamostat","Platinum","Endomorphin-2","3,5-Dihydroxyanisole","Guanidinoethyl disulfide","Geminal","1,26-Hexacosanediol","6-deoxoteasterone","Diphosphopyridine","Ilmofosine","Carotene-zeta","Desethylatrazine","Iloprost","Curcumin III","4-Phenyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione","Glycerol glutamate","Erinapyrone B","Phosphoric acid hydroxymethyl ester","CE(22:1(13Z))","Neogitogenin","1-iodo-2-methylundecane","Eckol","Valine-betaxanthin","Dihydroxyacetone Phosphate Acyl Ester","Sevoflurane","tetrahydrotriazine","Ccc(C(O)=O)P(=O)=O","2-Bromo-1H-indole-3-carboxaldehyde","Xct790","PG(PGF1alpha/i-13:0)","Eperezolid","(3R)-Linalyl diphosphate","Dinitrophenyl thioether","PS(TXB2/20:4(8Z,11Z,14Z,17Z))","Anthranilic acid","Acyclovir triphosphate","N-desmethylclarithromycin","Pinometostat","Allantoin","Desbutyllumefantrine","5-Thymidylic acid","Aceclofenac","alpha-D-glucuronate 1-phosphate","Schottenol 3-ferulate","Ethyl sorbate","Riluzole","Cytochalasin Ppho","2-Hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid","TG(18:3(9Z,12Z,15Z)/16:0/18:4(6Z,9Z,12Z,15Z))","Aminodeoxykanamycin","N-Linoleoyl GABA","Propionyl-CoA","alpha-Linolenoyl ethanolamide","PS(20:3(8Z,11Z,14Z)/16:0)","sorbitol 3-phosphate","PE(LTE4/24:0)","SM(d20:1/20:3(8Z,11Z,14Z)-2OH(5,6))","Muscone","Ethene, 1,1-diphenyl-2,2-dichloro-","Fumaryl acetoacetate","(+/-)-Naled","N-Stearoyl Tryptophan","Pentafluorobenzene","betanidin quinone","Thieno[2,3-b]pyridin-4-ol","N-(1-Deoxy-1-fructosyl)tryptophan","3-Methoxypyridine","Cysteinyl-Asparagine","Eicosopentanoic acid","2-Chlorodiazepam","Carboxycelecoxib","Indole-3-acetic-acid-O-glucuronide","Fluocortolone caproate","Magnesium dodecanoate","2-Chloro-4-(3-chlorophenyl)phenol","3,5-Dihydroxydecanoylcarnitine","Glycogen Phosphorylase Inhibitor","Procion blue MX-R","Fluo-3","DG(24:0/0:0/18:1n9)","Ribosylzeatin phosphate","PC(18:1(9Z)-O(12,13)/P-16:0)","Malformin","Phosphocreatinine","2-Hexaprenyl-6-methoxy-1,4-benzoquinol","Sodium disulfite","2-carboxy-L-threo-pentonate","Narciclasine","Benzyladenine","9-[2-(Phosphanylmethoxy)ethyl]purin-6-amine","XANTHOPTERIN","Guanosine 2',3'-cyclic phosphate","Withaperuvin F","Citramide","2,3-Dehydrosilychristin","Phosphate","3-phospho-L-serine","O-Demethylfonsecin","Aurantricholide B","TG(24:0/20:0/14:1(9Z))","Pelargonidin 3-arabinoside","Diadenosine diphosphate","neopinone","4-Glutathionyl cyclophosphamide","PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)","Deoxycholylphenylalanine","Quizartinib","Glycineamideribotide","Sulfo-phospho-vanillin","2-(2-Oxopropanoyloxy)propanoic acid","PE-NMe(18:2(9Z,12Z)/14:0)","5-Hydroxydiclofenac","Neurotensin (1-8)","Methoxymalic acid","PC(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/DiMe(13,5))","PA(LTE4/2:0)","Flurandrenolide","Ilepcimide","Benzyl formate","Clofop","Ccris 6861","5,6-Dihydro-5-fluorouracil","Calcium gluconate","ursane","Sodium nitrate (NaNO3)","Bilineal","Tris(2-chloropropyl) phosphate","PA(20:2(11Z,14Z)/15:0)","Ibutamoren","DG(22:2(13Z,16Z)/18:1(9Z)/0:0)","3-Hydroxyhalazepam","piperaquine","(-)-Mintlactone","Iotalamic acid","DG(24:1n9/0:0/22:6n3)","8-Nitroguanine","10,11-Dihydro-12R-hydroxy-leukotriene C4","Chlorethylclonidine","3,3'-Dichlorobiphenyl","Flurothyl","Ilexgenin A","1-beta-D-Arabinofuranosyl-5-fluorocytosine","Benzenesulfinic acid","Furagin","Chenodeoxycholyltaurine","Gallic acid","Clofibrate","Nonacosan-14-ol","Ethyl acetate","2-Amino-3-hydroxy-3-phenylpropanoic acid","1,2-Dichloropropane","Thienorphine","Glycerophosphoserine","Myo-inositol glutamate","Disodium phosphate","4-Bromo-3,5-cyclohexadiene-1,2-dione","4,4'-Methylenebis(2-chloroaniline)","Heneicosane","2-O-Caffeoylhydroxycitric acid","Cholylglutamine","Permethrin","TRIFLUOROMETHANOL","Rocuronium","(±)-2-Hydroxy-4-(methylthio)butanoic acid","Minodronic acid","PE-NMe2(18:0/14:0)","PS(TXB2/16:1(9Z))","[Diisocyanato(phenyl)methyl]benzene","Pantoprazole Sulfone","Metipamide","Butyl (S)-3-hydroxybutyrate glucoside","Aminobutane bisphosphonate","3-Aminopiperidine-2,6-dione","Tezampanel","2-O-Feruloylhydroxycitric acid","Cer(d18:1/22:1(13Z))","N-Trifluoroacetylprolyl chloride","DHMBOA hexose","Lucuminic acid","Cenobamate","Cer(d16:1/16:0)","erythro-6,8-Heptacosanediol","Ophthalmic acid","Fosphenytoin","Prodelphinidin A1","Hexa-2,4-dienedial","DG(20:4(5Z,7E,11Z,14Z)-OH(9)/0:0/i-13:0)","12,14-Dotriacontanedione","PE(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))","Pyrogallol-2-O-sulphate","D-Serine","DG(16:1n7/0:0/16:1n7)","theophylline one","2-(2-Oxopropanoyloxy)butanedioic acid","Threoninyl-Tryptophan","3-cis-dodecenoyl-CoA","Orthoperiodic acid","Hovenitin I","Choline sulfate","Q-100035","1-pentadecanoyl-glycero-3-phosphate","20-Cooh ltb4","LysoPC(16:0/0:0)","Diisopropylphosphate","Ubiquinol 8","Cifostodine","Glycine-betaxanthin","Chlorophacinone","Itanoxone","Diphenyl(2,4,6-trimethylbenzoyl)phosphine oxide","lapachol","Cefuzoname","Esonarimod","Xylopine","Regorafenib","SM(d19:0/18:1(12Z)-2OH(9,10))","beta-Sitosterol behenate","Hetacillin","1,2-Disehydronorcoclaurine","3-Hydroxyphloretin 2'-O-glucoside","1,2,3,4-Tetrachloronaphthalene","Allophanic acid","Fe(II)-nicotianamine","Diazenedicarboxamide","5-ethyl-(3H)-furan-2-one","Cer(d18:1/23:0)","N-Methyl-N-nitroso-1H-purin-6-amine","Dicloralurea","Deoxycholylglutamic acid","Z-Lly-fmk","Norharman","Phosphatidylinositol-3,4,5-trisphosphate","1-Iodobutane","Ellagic acid acetyl-xyloside","Halazepam","TRIMELLITIC ANHYDRIDE","4-Phenylbutyric acid","N-Methyl-D-aspartic acid (NMDA)","Agrocin 84","(S)-14-Methylhexadecanoic acid","Diaziquone","PE(24:1(15Z)/16:0)","Leptomycin B","D-erythro-D-galacto-octitol","Hopeaphenol","Hexyl glucosinolate","Delpazolid","PC(14:0/20:4(5Z,8Z,11Z,14Z))","SAICAR","Proliferin","N-Hydroxy-L-tyrosine","Cartormin","2'-Deoxy-5'-O-thiophosphonouridine","Luteolin 7-(6''-malonylglucoside)","Penitrem E","fleroxacin","Sodium glucoheptonate","pipecolic acid betaine","Basilol","Dimethyl malonate","ADP, beta S","Vulgaxanthin II","Fenoxaprop","Pyroglutamic acid","TG(20:1(11Z)/O-18:0/20:1(11Z))","Propynyloxy","2-Chloro-5-nitro-N-phenylbenzamide","PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/i-16:0)","Phyllanthusol B","24,24-Difluoro-1alpha,25-dihydroxyvitamin D3","Diclobutrazol","Bis(sulfanyl)carbamic acid","Furofuran","4-Chloro-1-methyl-2H-pyridine-3-carboxamide","DG(a-17:0/0:0/8:0)","1,2,4-Triazole","Acridine carboxamide","(2R)-1-(4-Iodophenyl)-N-propan-2-ylpropan-2-amine","Rilmenidine","Succinylcarnitine","L-Acetylcarnitine","Hexanitrohexaazaisowurtzitane","N,N-DIMETHYLETHYLAMINE","Ustiloxin D","Lappaol F","3,5-Dichlorophenol","7,8-dihydroneopterin 3'-phosphate","curcumin diglucoside","Dattelic acid","Muricatenol","Solamine","S-Adenosylmethionine","Fraxin","Iodoform","Sertaconazole","Picloram","Aromadendrin 7-methyl ether","Hhcfu","N-Acetyl-L-alanine","DG(5-iso PGF2VI/0:0/i-21:0)","Omadacycline","3-(2-propenoic acid)-o-benzoquinone","Tyrosylglycine","Dotmp","Glucaron","Beta-D-Glucopyranuronic acid","Proctolin","Carbamoyl cholesterol","6-Mercaptopurine ribonucleoside triphosphate","N-methylethanolamine phosphate","Deoxythymidine diphosphate-L-rhamnose","N-Desmethylatomoxetine","3,5-Dihydroxy-4-methoxybenzaldehyde","Margrapine A","PG(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0)","Capromorelin","Brassica oleracea Alkaloid","Flumethrin","Xanthoxotin","Chalcone","Cytidine, 5-chloro-2',3'-dideoxy-3'-fluoro-","Glycerol lactate pyruvate","5-Hydroxy-6-methoxyindole glucuronide","N,N''-Sulfonylbisurea","Cer(d18:0/26:1(17Z))","1-Octadec-9-enoxyoctadec-9-ene","norsertraline","24-Propylcholestan-3-ol","Dihydroresveratrol 4'-sulfate","PS(18:3(9Z,12Z,15Z)/14:0)","Chrysosplenetin","Encorafenib","Calcium bromate","Bortezomib","Flindokalner","Cidofovir","2-Hydroxy-3-methyl-2-cyclopenten-1-one","Gallic acid 3-sulfate","Mag-fura-2-acetoxymethyl ester","Nornitrogen mustard","Fenclofenac","lysine phosphoester","Delphinidin 3-glucosylglucoside","Sodium metaphosphate","Carfilzomib","3a,6a,7b-Trihydroxy-5b-cholanoic acid","RACLOPRIDE","6-Dimethylaminopurine","Phosphoribosyl-ATP","PG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-17:0)","Ellagic acid 2-rhamnoside","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))","Dotriacontanal","Dimethylthiophosphate","Hexadecanamide","Leucocyanidin","DG(20:4(8Z,11Z,14Z,17Z)/15:0/0:0)","Calcium aluminosilicate","PG(18:3(9,11,15)-OH(13)/i-16:0)","PC(20:3(6,8,11)-OH(5)/24:0)","Oxonic Acid","Muricadienin","2-(Trifluoromethoxy)anisole","DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/i-20:0)","(6alpha,22E)-6-Hydroxy-4,7,22-ergostatrien-3-one","Polymeric potassium metaphosphate","PE(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/P-16:0)","PYROMELLITIC ACID","6-Cyano-7-nitroquinoxaline-2,3-dione","Decarbamoylsaxitoxin","N-Acetyl-L-leucine","PI(PGJ2/18:3(9Z,12Z,15Z))","Pancrelipase","4a-Hydroxytetrahydrobiopterin","3,5-Dichlorophenyl methyl sulphone","6-(4-methyl-2-oxopentyl)-4-hydroxy-2-pyrone","1-Thiocarbamoyl-2-imidazolidinone","9-beta-d-Arabinofuranosylguanine","4',5'-Dihydropsoralen","PGP(PGF1alpha/i-16:0)","Chlorpheniramine","N-[2-Methoxy-2-(4-methoxyphenyl)ethyl]cinnamide","PC(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/2:0)","PE(22:2(13Z,16Z)/14:1(9Z))","Thiamine hydrochloride","Taurochenodeoxycholate-7-sulfate","PE(PGJ2/15:0)","O-Sulfotyrosine","3,5-Dinitrobenzoic acid","PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/i-15:0)","Tabun","Tris(hydroxymethyl)phosphine","Glutamine glutamate aspartate","Selenohomocysteine","DG(14:1n5/0:0/16:1n7)","Pentenedioic acid","Calcium hexametaphosphate","2-Dodecyl-3-oxooctadecanal","2-Methylpropanal","Scleroglucan","3H-Indazol-3-one","Valylglycine","Cer(t18:0/LTE4)","Perfluorodecane","2,3-Diethylbut-2-enedioic acid","((m-Chlorophenyl)azo)malononitrile","Amidosulfonic acid","Alpha-Tetrasaccharide","PA(LTE4/24:1(15Z))","2-Oxo-4-hydroxy-4-carboxy-5-ureidoimidazoline","Cyanidin 3-O-(2-xylosyl-6\"\"-glucosyl-galactoside)","Cirsilineol","Inositol cyclic phosphate","VINCLOZOLIN","(2E,4E)-Tetradecadienoyl-CoA","PC(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","PS(18:3(9,11,15)-OH(13)/18:4(6Z,9Z,12Z,15Z))","Polidocanol","D-Sphingosine","Riboflavin 5'-phosphate, sodium","1-O-Feruloyl-beta-D-glucose","Pentaerythritol tetranitrate","Citrusin E","N-Cyclopropyl-trans-2-cis-6-nonadienamide","Citrusin A","Imazapyr","SM(d17:2(4E,8Z)/18:1(9Z)-O(12,13))","PE(22:1(13Z)/15:0)","2,3-Dichloro-5,6-dicyano-1,4-benzoquinone","Tempo-maleimide","Gemigliptin","Salubrinal","TG(24:1(15Z)/15:0/O-18:0)","LysoPC(O-18:0/0:0)","4,6-Dichloropyrimidine-5-carboxylic acid","Hexanoylcarnitine","Glycerol trisinapate","1,1-Bis(4-chlorophenyl)prop-2-yn-1-ol","Perfluoroheptanoic acid","Methyl formate","Iridal","Riboflavine 2',3',4',5'-tetrabutanoate","PGP(PGF1alpha/i-20:0)","Phe-Pro-Ile","3-(3-Amino-3-carboxypropyl)uridine","Methysticin","6''-O-Acetyldaidzin","PE-NMe2(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/15:0)","Ricinine","6beta-hydroxybudesonide","N-Gluconyl ethanolamine phosphate","4-Methylcatechol","Tanomastat","3,4,5-Trimethoxyphenyl glucoside","Licoricesaponin F3","Laropiprant","6-Mercaptopurine ribonucleoside 5'-diphosphate","DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/i-12:0)","Altropane","Leucylleucine","2,3,4,5,6-Pentafluorobenzamide","Wogonoside","3-Nitrobenzene-1,2-diol","Sanguiin H1","Solithromycin","Isophorone","Oleamide","3-Iodo-alpha-methyl-l-tyrosine","1,9-Pyrazoloanthrone","Lidocaine","7-Methylguanosine 5'-phosphate","Hordatine A glucoside","3-Iodothyroacetic acid","5-Diazouracil","2-Naphthyl dihydrogen phosphate","Bretylium","Ioflupane","Prunin 4'',6''-di-O-gallate","2-Polyprenyl-6-methoxyphenol","Phosphoadenosine phosphosulfate","4-Chloro-N-methylaniline","Isouramil","Tetraphyllin B sulfate","2-Pivalamidoacetic acid","2-Chloro-5-nitro-N-4-pyridinylbenzamide","8-Acetoxypinoresinol 4-glucoside","Tetrahydro-2,5-dimethyl-2H-pyranmethanol","PE(LTE4/DiMe(9,3))","Glycerophosphoglycerol","Shikimic acid","Benzocaine","Indoleacetaldehyde","DG(18:3(9,11,15)-OH(13)/0:0/i-15:0)","19-Nortestosterone","Vanillic acid","Asunaprevir","p-coumaroyltriacetate","2-Iodomelatonin","Zilascorb","Dansylamide","PE(P-18:1(9Z)/22:0)","Disodium ethylenediaminetetraacetate","Glycerol 1,2-dioctacosanoate","Phthalic acid","DG(18:3n3/0:0/20:4n3)","Xanthyletin","Candidin","N-Methyl-N-nitrosourea","Elvitegravir","Benzyl alcohol","SM(d16:1/16:0)","Elubrixin","Clofentezine","SM(d17:2(4E,8Z)/20:3(8Z,11Z,14Z)-2OH(5,6))","Cabbage identification factor 2","2-Hexaprenyl-3-methyl-6-methoxy-1,4 benzoquinone","Lasinavir","Casoxin D","Retinal","Zidovudine diphosphate","Lignin","(8'R)-Neochrome","Erythrityl Tetranitrate","Phosphovanillin","[16]-Gingerol","Benzamide","Benzenesulfonyl fluoride","Triclabendazole sulfoxide","10-Nitrolinoleate","2-Methoxyacetaminophen sulfate","Fleroxacin N-oxide","Nicousamide Pyrotinib Maleate","Propamidine","Tetrahydropteroyltri-L-glutamic acid","2',2'-Difluorodeoxyuridine","PGP(18:1(12Z)-2OH(9,10)/i-20:0)","Dibutyryl cyclic gmp","Hpmpa","D-Vacciniin","PS(DiMe(13,5)/DiMe(13,5))","6-Hydroxypseudooxynicotine","Methyl 2-propenyl selenide","Allopurinol","Etoposide","3-O-Methyltolcapone","PC(5-iso PGF2VI/16:0)","1,3,5-Trinitrocyclohexa-1,3-diene","DL-Norvaline","PC(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/2:0)","RESAZURIN","Dithiophosphoric acid","Iodouracil","p-coumaroyltriacetic acid lactone","PC(16:0/18:2(9Z,12Z))","15,15'-Dihydroxy-beta-carotene","D-Erythrose 4-phosphate","Perfluoro-15-crown-5","4'-Methylepicatechin 7-sulfate","4-O-Digalloyl-3,5-di-O-galloylquinic acid","(2S)-dihydrotricetin","Daidzin","Gadobutrol","dTDP-4-acetamido-4,6-dideoxy-D-galactose","Stearidonic acid","Emblicanin B","PC(18:1(12Z)-2OH(9,10)/16:1(9Z))","Formic anhydride","Ethacrynic acid","Pseudoginsenoside RT3","Erythritol","floctafenine","Barban","N-Chlorophenylalanine","4-Aminophenyl phosphate","CL(10:0/10:0/10:0/10:0)","Sodium sulfite (Na2SO3)","O-Oxalylhomoserine","L-histidinol-phosphate","PG(LTE4/20:3(8Z,11Z,14Z))","(Z)-6,7-Dichloro-3-(hydroxyimino)indolin-2-one","L-Lysinamide","PC(18:1(9Z)-O(12,13)/P-18:1(9Z))","2-Fluoro-1-nitroimidazole","2,8-Di-O-methylellagic acid","Glycerol 1-myristate","Parylene C","Diphenylmercury","PGP(i-14:0/i-15:0)","N(alpha)-Phosphorylalanylproline","PA(TXB2/8:0)","L-4-Hydroxyglutamine","Emblicanin A","DG(22:5(4Z,7Z,10Z,13Z,19Z)-O(16,17)/0:0/i-15:0)","Nitisinone","4-Nitroaniline","Mycorradicin","Myzodendrone","Succinic anhydride","3-Hydroxyomeprazole","Vicine","Pendimethalin","Liarozole","1,N2-propanodeoxyguanosine","L-N-Carboxymethylserine","1'-hydroxytriazolam","L-Chlorozotocin","(R)-6'-O-(4-Geranyloxy-2-hydroxycinnamoyl)-marmin","DG(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/0:0/i-13:0)","DL-Glutamate","Fenticlor","Fluorobenzene","Iododoxorubicin","Iminoerythrose 4-phosphate","Terutroban","Tricyclo[1.1.0.02,4]butane-1-carbaldehyde","Hydratopyrrhoxanthinol","Alniditan","5-Phenyl-1,3-oxazinane-2,4-dione","1-heptadecanoyl-glycero-3-phosphate","Monoglutamyl folic acid","Citicoline","5-Phenyl-1,3-pentadiyne","Cholylleucine","N-Linoleoyl Histidine","Lagociclovir","N-Acetylisoleucine","Metabolite M6","Tebufenpyrad","Tyrphostin A25","Sinapinic acid-O-glucuronide isomer","Lersivirine","PC(16:1(9E)/0:0)","Methyl 1-propene-1-sulfenoselenoate","Docosanamide","Phenyl Hypochlorite","Trisjuglone","PIP(18:1(9Z)-O(12,13)/18:0)","Piperenol A triacetate","Camptothecin sodium","Fluoxastrobin","VINYL CHLORIDE","1-(5-Fluoropentyl)-3-(2-iodobenzoyl)indole","Formylhydrazine","2-O-p-Coumaroylhydroxycitric acid","Donhexocin","5'-Hydroxylornoxicam","2,3,5-Triiodobenzoic acid","O-Phospho-4-hydroxy-L-threonine","Aethallymal","Flurochloridone","1-alkyl-2-acylglycerophosphoethanolamine","Phenylalanyltryptophan","pyruvate carbon","Ethanesulfonic acid","Methyl cinnamate","Tert-Butyl (2-(2-hydroxyethoxy)ethyl)carbamate","Biie-0246","Telmisartan glucuronide","erythro-6,8-Triacontanediol","Acetyl adenylate","DG(24:1(15Z)/24:0/0:0)","2-Aminoethyl oleate","O,O-Dimethyl malathion","DIBOA dihexose","1,1'-Oxybis[2,4-dibromobenzene]","9-(5-Hexyl-3-methylfuran-2-yl)nonanoylcarnitine","Dynorphin B (6-9)","Salicylamide glucuronide","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))","Fluoroazomycin arabinoside","Monoaspartyl chlorin e6","1,1-Dichloroethane","sinitrodil","Nirogacestat","Dehydroascorbic acid","Sulforhodamine 101","4-Pyridoxic acid 5'-phosphate","Bisphenol C","Rapalexin B","PE(PGJ2/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","1-Methyl-5-nitro-1H-imidazole-2-methanol","Americine","Threonylglutamine","trans-zeatin riboside","1-Rhamnono-1,4-lactone","Pyrazolopyridine analog","Isoquinolinesulfonamide","N3,N4-Dimethyl-L-arginine","Erythrogran","Sealdin","uric acid bicarbonate","Alpha-Ketooctanoic acid","Desvenlafaxine","Ketophenylbutazone","7-Methyluric acid","4-Nitrophenyl acetate","4-hydroxylamino-2,6-dinitrotoluene-O-glucoside","3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid","Sulfamide","Skimmianine","Dehydrochorismic acid","DG(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/0:0/a-25:0)","(-)-Erythromycin","Alilusem","Fludioxonil","Iron naphthenate","PE-NMe(24:1(15Z)/24:0)","Isopiperolein B","(S)-(-)-2-Acetoxypropionyl chloride","PC(15:0/20:4(5Z,8Z,11Z,14Z))","Hydroxydehydro Nifedipine Carboxylate","trioxyethylene dimethacrylate","2-O-a-D-Galactopyranuronosyl-L-rhamnose","2-[(2,4-Dinitrophenyl)diazenyl]acetic acid","Diethyl maleate","Floxacrine","Doravirine","DG(i-24:0/0:0/i-12:0)","Glycohyocholic acid","2-Chloro-21H,23H-porphyrin","latrunculin B","8-Pcpt-2'-O-Me-cAMP","Esculeogenin A","Baikiain","6-Methylthiopurine ribonucleoside","PGP(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/i-18:0)","Allantoxanamide","1-Nitrohydroxyphenyl-N-benzoylalanine","4',6'-Diamidino-2-phenylindole","Benzoyl meso-tartaric acid","Cyclosomatostatin","5b-Cyprinol sulfate","1-Methylhistamine","PA(20:3(8Z,11Z,14Z)-2OH(5,6)/8:0)","LORZAFONE","ID11614","Calcium glycerophosphate","Simmondsin","5-(4,6-Dichlorotriazinyl)aminofluorescein","DG(18:4(6Z,9Z,12Z,15Z)/14:1(9Z)/0:0)","Esters","N-Nervonoyl Glycine","thiamphenicol","Darexaban glucuronide","Methylendiglyoxal","PE(LTE4/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","Annamycin","Cer(d17:1/LTE4)","Lignoceroylcarnitine","7-Chloro-3,4',5,6,8-pentamethoxyflavone","Procymidone","3'-Amino-3'-deoxythimidine glucuronide","Adenosine phosphosulfate","Flunoxaprofen isocyanate","Argenteane","8-Hydroxypinoresinol 4-glucoside","DG(15:0/0:0/14:1n5)","Dialuric acid","Guanosine 5'-O-(2-thiodiphosphate)","4-Ethylbenzaldehyde","Starch, bleached","Vernakalant","DG(18:1(9Z)-O(12,13)/0:0/i-12:0)","2-Hydroxyterephthalic acid","Nifuroxazide","S-(2-Oxo-2-carboxyethyl)homocysteine","Glucose isomerase from streptomyces rubiginosus","fluvoxamino acid","Inosine triphosphate","Garcinia acid","Gomphrenin II","Pentazirinocyclodiphosphathiazene","Acetic anhydride","Fedratinib","Bezafibrate","N6-Succinyl Adenosine","Sucrose-6-phosphate","Benzofuran isophthalate","7,7,8,8-Tetracyanoquinodimethane","Sodium dihydrogen citrate","PA(20:4(5Z,7E,11Z,14Z)-OH(9)/2:0)","PE(MonoMe(9,5)/MonoMe(13,5))","DG(14:0/0:0/18:2n6)","(E)-2-Amino-5-phosphonopent-3-enoic acid","Trimidox","Roxarsone","Chondrocurine","Linsidomine","Pyroglutamylglycine","PC(18:3(9Z,12Z,15Z)/19:1(9Z))","(S)-Homostachydrine","Kudinoside F","Ammelide","(-)-Marinopyrrole A","TG(22:2(13Z,16Z)/15:0/22:4(7Z,10Z,13Z,16Z))","O-Phenolsulfonic acid","PC(18:0/22:4(7Z,10Z,13Z,16Z))","Phosphocreatine lactate","Syringaldehyde","MG(20:0/0:0/0:0)","Adozelesin","Ioxilan","2-Oxindole","4-Chloro-1H-indole-3-acetic acid","I-Abopx","Acetoacetyl-CoA","PC(16:0/16:1(9Z))","urea citrate","Ximoprofen","4-Guanidinobutanoic acid","dCMP","Prolylhydroxyproline","PE(PGJ2/P-16:0)","Oxepahyperforin","2-Acetylamino-7-methoxy-3H-phenoxazin-3-one","Rimonabant","Serotonin sulfate","Calenduloside H methyl ester","N-Desmethylzopiclone","2-Hydroxyhexadecanoic acid","2-Hydroxy-5-(trifluoromethoxy)benzoic Acid","Cer(d20:1/20:3(6,8,11)-OH(5))","Glycyl-prolyl-glutamic acid","N-debutylhalofantrine","2-Carboxyarabinitol 1-phosphate","Iodotyrosine","Methyl 3,5-dinitrobenzoate","demethylsuberosin","Alliosterol 1-rhamnoside 16-galactoside","(E,Z)-2,4-Heptadienal","6-hydroxy-2-cyclohexen-one-carboxylate","Zoledronate","Iodobenzene","Uricase","Tyr-Gly-Gly-Trp-Leu","Nimustine","Petunidin 3-(4'''-p-coumaroyl-rutinoside)","Adenine monophosphate","IDP","SM(d18:1/18:0)","Suvorexant","Cholesterol sulfate","Hydrogenated egg phosphatidylcholine","PE(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/DiMe(9,5))","Propafenone glucuronide","Sodium aluminum silicate","beta-Cyfluthrin","N-Methyl-N'-nitrosoguanidine","Oleylcarnitine","PS(PGJ2/20:5(5Z,8Z,11Z,14Z,17Z))","Naveglitazar","2-Chloro-1,3-dimethoxy-5-methylbenzene","Kuwanon K","PS(24:1(15Z)/24:0)","Kuwanon R","(E)-methyl ester 3-phenyl-2-propenoic acid","Guanidinosuccinic acid","Pradefovir","2-Methyl-1-hydroxypropyl-ThPP","Taxifolin 3-arabinoside","Triflumizole","3,5-Dichloroaniline","Pentafluoropropionic anhydride","Nitro 2-acetyloxybenzoate","Diisobutyl adipate","Idoxifene","Dieckol","Thymulin","1-Nitropyrene","Paraxanthine","Decanoylcarnitine (C10)","4-nitroso-2,6-dinitrotoluene","(+)-1,2-Epoxyneomenthyl acetate","indole-3-acetyl-beta-6-D-glucose","caffeoyl hexose","Selenomethionine","Nicotine","Ethyl caprate","Erythro-5-hydroxy-L-lysinium(1+)","9-(Methylaminomethyl)anthracene","N-(1-Pyrenyl)iodoacetamide","L-Nicotianine","(6S)-Tetrahydro-L-biopterin","Avenalumin II","Dapta","PA(LTE4/22:1(13Z))","Croscarmellose","Iron(II) lactate","Rescinnamine","2'-deoxycytidine 3'-monophosphate","Tetracosanoylglycine","3-Aminoisobutanoic acid","Etoprine","25-Acetyl-6,7-didehydrofevicordin F 3-glucoside","2-Amino-4-hydroxy-6-pteridinecarboxylic acid","S-Propylcysteine sulphoxide","Nicotinic acid mononucleotide","5-Carboxy-lumiracoxib","Glycochenodeoxycholate-3-sulfate","7-Amino-4-(trifluoromethyl)coumarin","Cyclohexyladenosine","Ethephon","PC(20:4(5Z,7E,11Z,14Z)-OH(9)/2:0)","CE(DiMe(9,3))","lysophosphatidylinositol","Iodinated glycerol","18-Hydroxy-16-tritriacontanone","Creatinine bicarbonate","Trifluoromethanesulfonamide","3-epi-2-Deoxy-25-methyldolichosterone","N,N-Dimethylglycine","Tetradecanal","Tetraethyl pyrophosphate","PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/8:0)","Alcoifosfamide","Diethyl phosphate","Azaspiracid 3","Ethylphosphorothioic acid","sialic acid thiol","TG(14:0/20:1(11Z)/15:0)","alpha-Tocotrienol","Cyromazine","2-hydroxyisoflavanone naringenin","Daunomycinone","3-(Hydroxymethyl)furan-2-carbaldehyde","PE(22:2(13Z,16Z)/18:1(9Z))","Terbium","Arabinosylhypoxanthine","Malathion dicarboxylic acid","ent-Emtricitabine","p-Coumaroyl 3-hydroxytyrosine","Oligomycin","Mollicellin D","Mollicellin E","Decussatin","Pent-1-en-2-ol","PGP(18:3(9,11,15)-OH(13)/i-24:0)","Monoethyl malonic acid","O-Ethyl O-(4-nitrophenyl) phenylphosphonothioate","PE(18:3(9,11,15)-OH(13)/20:5(5Z,8Z,11Z,14Z,17Z))","Curculigoside","4,7-Dihydroxy-2H-1-benzopyran-2-one","9-(2-Phosphonomethoxypropyl)adenine","Di-8-ANEPPS","Guanazole","Quercetin 3'-O-glucuronide","2-carboxy-L-xylonolactone","1-Pentacosanol","cis-5-Tetradecenoylcarnitine","fluorobenzoylpropionic acid","Picrinine","TG(18:0/O-18:0/18:0)","Norendoxifen","Dolutegravir","Dextilidine","Micronomicin","Ammonia aspartate","Cer(d16:1/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","rebamipide","Cyclic apt","PC(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/15:0)","N-Formyl-L-methionine","Fosaprepitant","5-(N,N-Hexamethylene)amiloride","PGP(20:4(5Z,7E,11Z,14Z)-OH(9)/i-18:0)","Crotonoyl-CoA","Edetate disodium","Ferric Maltol","Gatifloxacin","Arteflene","2-(Malonylamino)benzoic acid","Dihydroxyfumaric acid","Articaine","Rhizonin A","Hydroxyethyl","N-Trifluoroacetyladriamycinol","Glycerophosphocholine","Thalidomide arene oxide","Naringenin 7-sulfate","Fructoseglycine","1-Aminocyclopropanecarboxylic acid","Platelet-activating factor","Cer(d17:1/20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S))","Adrenoylcarnitine","Quinoline-4-carboxylic acid","5,6-Carboxyfluorescein","Perphenazine decanoate","PC(O-24:0/18:3(9Z,12Z,15Z))","Hydrocortamate","Hv-NCC-1","Edaravone","3-Oxo-4(R),8-dimethyl-nonanoyl-CoA","Selenocystathionine","PC(PGF1alpha/14:0)","O-feruloylquinate","3-methylthiopropyl-desulfoglucosinolate","Cytochlor","Glycine, N-[(2E)-2-methyl-1-oxo-2-butenyl]-","Oxyfluorfen","Flufenamic acid","cyanidin 5-O-beta-D-glucoside","TG(19:0/20:0/i-16:0)","Chlorohaloperidol","PC(20:4(5Z,7E,11Z,14Z)-OH(9)/DiMe(11,5))","Clofarabine triphosphate","2,4-dinitrophenyl-S-glutathione","PYRIDAZINE","Tamarindienal","Furafylline","PC(18:1(11Z)/20:4(8Z,11Z,14Z,17Z))","Marshmine","N-(gamma-Glutamyl)ethanolamine","m-Trigallic acid","1,1-Dibromo-3-iodo-2-propanone","N-Hydroxymethyl-N-methylformamide","Tubulin Polymerization Inhibitor","Octenidine","Minoxidil Glucuronide","Substance P(1-7)","1-Stearoylglycerophosphoserine","5-Formylcytosine","Avasimibe","Histidinyl-Asparagine","ubiquinone-8","6-Thioinosine","TG(22:1(13Z)/15:0/24:1(15Z))","PC(18:0/22:5(7Z,10Z,13Z,16Z,19Z))","Octadecanamine","3,5-Dihydroxyphenylvaleric acid glucuronide","2-Nor-2-formylpyridoxal-5'-phosphate","PG(i-13:0/i-24:0)","N-Acetylmuramate","Glyphosate","BULAN","Gymnodimine","Bofumustine","urea aspartate","Pentaerythrityl tetrachloride","(+/-)-Dicentrine","Thio-NAD","Diiodomethane","Phosphomevalonic acid","PA(24:1(15Z)/22:1(13Z))","Chatenaytrienin 2","5'-Iododeoxyuridine","Isoforskolin","15beta-hydroxycyproterone acetate","Fosmidomycin","Pyrimidopurinone","PE(18:3(9Z,12Z,15Z)/15:0)","Methylcysteine sulfoxide","DC-Chol","MG(18:3(6Z,9Z,12Z)/0:0/0:0)","PE(5-iso PGF2VI/DiMe(9,3))","Sodium n-alkylbenzenesulfonate","Fotemustina","alpha-D-glucose 6-phosphate","6-Keto-28-homobrassinolide","Bis(2,5-dihydroxypyrrol-1-yl) carbonate","Lepidine E","Aromadendrin 3-galactoside","Incadronic acid","Ferrous ascorbate","2-O-Galloylgalactaric acid","Setipafant","Glycitein 7-O-glucuronide","2-Methoxy-3-methyl-9H-carbazole","Irbesartan","PS(LTE4/20:1(11Z))","Indole-3-butyric acid","Streptomycin sulfate","PA(18:1(9Z)-O(12,13)/P-16:0)","1,2,3,4-Tetrafluorobenzene","Feruloyl-2-hydroxyputrescine","C.I. Acid Green 50","Sulfadiazine","DG(22:1n9/0:0/22:1n9)","Methyl 6-O-galloyl-beta-D-glucopyranoside","Isovalerylglycine","Adlumidiceine","Fenamiphos","4-amino-2-methyl-5-phosphomethylpyrimidine","Hydantoin","7-O-Galloyl-sedoheptulose","PE-NMe(20:5(5Z,8Z,11Z,14Z,17Z)/14:1(9Z))","Ser-Leu-Ile-Gly-Lys-Val","dehydrofelodipine","4-Hydroxy-L-glutamic acid","1-(3,4-Dichlorophenyl)urea","Pinokalant","2-Aminoheptanoate","Aspartyl-Histidine","Tridesilon","Dinonylnaphthalene","Luteolin 7-glucoside 3'-glucuronide","Triacontanal","TG(22:1(13Z)/15:0/22:2(13Z,16Z))","Imidazo[1,2-a]pyridine","D-Ornithine","Pyrrhoxanthinol","Iodoantipyrine","Vital new red","Mivotilate","Olomoucine","Diallyl phthalate","Methylphosphonothiolate","(2S,3R)-3-Methyloxiran-2-ylphosphonic acid","Sedoheptulose 7-phosphate","Erosnin","Methyl 2-amino-3-(4-chlorophenyl)propanoate","Charine","2-Deoxyglucose","Xylitol","Cyclohexanecarboxylic acid","PA(18:3(9Z,12Z,15Z)/14:0)","Pelargonidin 3-rhamnoside","Isopentenyladenine-9-N-glucoside","Tetrachlorophthalic anhydride","N-desmethyl loperamide","Pleconaril","PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/i-17:0)","Glucosylsphingosine","N-(1-Deoxy-1-fructosyl)phenylalanine","Dansylglycine","DG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/0:0/i-13:0)","Trimethylolmelamine","2-Hydroxydodecyl methacrylate","Mechlorethamine","p,p'-DDE","4-Ketoniridazole","4-Phenyl-1,2,4-triazoline-3,5-dione","Deoxyribose","N-phosphocreatinate(2-)","2-Benzoxazolol","s-Nitroglutathione","2-Acetylisonicotinohydrazide","SM(d18:2(4E,14Z)/20:0)","6-Caffeoylsucrose","Phenazine","Lenthionine","Squamostatin D","(6S,6'S)-epsilon,epsilon-Carotene-3,3'-dione","Coumarinic acid","maropitant","Carboxymethyl cellulose, sodium salt","[1,1'-Biphenyl]-4,4'-dicarboxylic acid","Gamma-Caprolactone","Bismuth","D-(+)-Camphor","Heptanoic acid","Romucosine B","5-amino-6-(5-phospho-D-ribosylamino)uracil","Vulgaxanthin I","Methyl vinyl ether","Thyroxine sulfate","BENAZOLIN","PC(LTE4/16:0)","Perfluorobutanesulfonic acid","2-Anisic acid","DG(18:4(6Z,9Z,12Z,15Z)/15:0/0:0)","Tsugaric acid C","Glycoluril","Cholesteryl oleyl ether","Hydroxyethyl myristyl oxyhydroxypropyl decanamide","Isepamicine","Kukoamine D","xi-Anomuricine","5-Hydroxyuracil","Urea,3,4-tri-O-acetyl-D-ribopyranosyl)-","2-Amino-5-phosphonopentanoic acid","2-Chloro-1,3,5-triazine","Tridecanol","seglitide","Bialaphos","Eberconazole","N-Demethoxylinuron","1,2,4,5-Tetrachlorobenzene","Dihydroisoferulic acid 3-glucuronide","Pentafluorobenzoyl acetate","3-Ethyl-1,2-benzenediol","2-Chloro-2'-deoxyadenosine-5'-triphosphate","Ethyl levulinate","Hexafluoroacetylacetone","5-Hydroxyindoleacetic acid","AMPHOTERICIN B METHYL ESTER","Laricitrin","Creatinine oxalate","Pentaerythritol dinitrate","PI(5-iso PGF2VI/18:2(9Z,12Z))","Alinidine","Gluconapoleiferin","7-Methoxycoumarin-3-carbonyl azide","Asitrilobin C","p-Fluorohippuric acid","PE(TXB2/24:1(15Z))","(13Z,16Z)-Tetracosa-13,16-dienoylcarnitine","2',3'-Dideoxythymidine triphosphate","Bmt-ttp","Cloranolol","Norlidocaine","Cimicoxib","UDP-N-acetyl-alpha-D-galactosamine","para-Trifluoromethylphenol","Elacridar","8,8a-Diepiswainsonine","NO-aspirin","Astringin","Sodium calcium edetate","S-(-)-ureidoglycolate","1-Nitropropane-1,2,3-triol","L-Formylkynurenine","NADH pyruvate","Gossypetin 8-glucuronide 3-glucoside","Methylselenopyruvate","Fluo-5F","N-Nervonoyl Arginine","Thiacloprid","L-Xylonate","Sulfonamidoethanol","1-(5-Hydroxy-2-oxo-2,3-dihydroimidazol-4-yl)urea","N-Acetyl-L-methionine","(S,S)-Np-Histidinylalanine","Benzotrifluoride","beta-D-Glucosamine","6-Chlorocatechin","Efavirenz","Doxorubicin","5'-S-Methyl-5'-thioadenosine","Bathocuproine disulfonate","(+)-3,4-Didehydrocoronaridine","5-ethyl-4-hydroxy-2-methyl-3(2H)-furanone","7-Methoxy-4-(trifluoromethyl)coumarin","Salbutamol","Crizotinib","PC(24:1(15Z)/20:4(8Z,11Z,14Z,17Z))","Elsamitrucin","Polyporusterone A","Biliverdin","6-Bromo-L-tryptophan","Ethyl dicapthon","Annomuricatin B","Nitrofen","4-Bromophenol","2-Acetamido-4-methylphenyl acetate","Fumonisin B1","Iron octanoate","N-Acetyl-L-glutamyl 5-phosphate","PC(PGJ2/DiMe(11,5))","1,1,1,2,3,3-Hexafluoro-2-propanol","Dimethyl 2-galloylgalactarate","PE(24:1(15Z)/20:5(5Z,8Z,11Z,14Z,17Z))","N-Desmethyl vandetanib","LysoPC(20:3(5Z,8Z,11Z)/0:0)","L-Homocysteic acid","2,2'-Dithiodipyridine","Lactate carbon","D-Erythro-sphingosine 1-phosphate","Tulopafant","TG(i-19:0/19:0/21:0)","3-hydroxydecanoyl carnitine","PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/a-25:0)","UDP-beta-L-arabinofuranose","Dehydrosafynol","DG(a-25:0/0:0/14:0)","2,3-Dimethoxy-5-methylhydroquinone","Phosphatidylinositol 4,5-diphosphate","Vilazodone","Dichloroisocyanuric acid","Glycerylphosphorylinositol","Chlorambucil","1-Methylpyrrole-2,5-diol","phosphonoacetaldehyde","PA(20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15)/2:0)","cis-Solamin","(3beta,5alpha,12beta)-Cholestane-3,7,12,25-tetrol","(3R)-3,5-dihydroxy-3-methylpentanoylcarnitine","PA(18:1(12Z)-2OH(9,10)/8:0)","ppGpp","Nicomol","Diethanolamine","Fomesafen","Potassium permanganate","Phosphohistidine","1,3-Dinitrobenzene","4-Hydroxyxanthone","phlorisobutyrophenone","D-(+)-Pyroglutamic Acid","Saccharin sodium","Indole-3-acetic acid","Luxabendazole","PGP(LTE4/i-14:0)","4,6-O-Ethylidene-D-glucose","8-Hydroxycarteolol","5-Methyl-1H-pyrazole-3-carboxylic acid","Iopromide","Neplanocin A","SM(d18:2(4E,14Z)/PGJ2)","Binimetinib","Iodoacetic acid","pyramid","Dehydroaripiprazole","S-Carboxymethyl-L-cysteine","Cer(t18:0/18:3(9,11,15)-OH(13))","PC(16:0/20:4(5Z,8Z,11Z,14Z))","(-)-Caryophyllene oxide","Glyceraldehyde phosphate","Nervonyl carnitine","Iodobenzylguanidine","4-Nitrophenyl 4-guanidinobenzoate","Acrylonitrile","Serylvalylglycylglutamic acid","Edulone A","Malonyl-CoA semialdehyde","Atecegatran metoxil","PA(20:4(8Z,11Z,14Z,17Z)-2OH(5S,6R)/i-16:0)","gamma-Glutamyltyrosine","Cer(d16:1/18:3(9,11,15)-OH(13))","Haloxyfop-etotyl","TG(24:1(15Z)/16:0/18:2(9Z,12Z))","Deoxycholyl-L-dopa","4-hydroxybenzoate","Monosodium glutamate","TRICIRIBINE PHOSPHATE","Spermidine","Enprofylline","Metosulam","Prodiamine","MITOGUAZONE","Foropafant","Syzyginin B","8-((4-Chlorophenyl)thio)cyclic-3',5'-GMP","Edetate sodium","PA(18:1(9Z)/15:0)","2-Naphthylamine","Sodium aluminium oxide (NaAlO2)","2,5-Dioxopentanoate","PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-19:0)","(Phenylthio)acetic acid","undecylprodigiosin","Roflumilast","Dimboa glucoside","2,5-Dimethyl-1H-pyrrole","Propionylcarnitine","Clorsulon","4-Nitrophenyl phosphate","methyl-(E)-geranate","Noradrenochrome o-semiquinone","2-(2-carboxy-4-methylthiazol-5-yl)ethyl phosphate","Para-Iodoamphetamine","Perfluorohexanoic acid","Propionyl chloride","PE(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/DiMe(11,5))","Sweroside","N-(2-Hydroxyethyl)valine","Kaltostat","Suberic acid","Endostatin","4,6-Dihydroxy-2-quinolinecarboxylic acid","Coumaphos","fructose-6-phosphate lactate","7-Pentacosanone","7-Oxononane-1,1,9-tricarbaldehyde","PC(15:0/18:2(9Z,12Z))","Hydroxydestruxin B","Nonafluorobutanesulfonyl fluoride","Aminonitropyrene","Acetophenone","1-Heptacosanol","3-Nitrophenol","2,6-Dichloroindophenol","Hydroxyethylflurazepam","C.I. Pigment Yellow","Poppy acid","Diuron","4-Fluoro-2-(trifluoromethyl)phenylacetic acid","O(6)-Methyl-2'-deoxyguanosine","Sulcatol","2,3,4,5-Tetrachlorophenol","Robenidine","5-Iodouracil","Belzutifan","ISOPROPYL METHYLPHOSPHONATE","PC(18:1(9Z)-O(12,13)/14:1(9Z))","4-Ethoxybenzaldehyde","Cer(d17:1/5-iso PGF2VI)","N-ethylmaleimide","trifluoroquinolone","3-Hydroxyicos-11-enoylcarnitine","Ceanothenic acid","Pregabalin","9-Oxo-10(E),12(E)-octadecadienoic acid","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide","1,3,5,8-Tetrahydroxyxanthone","3,3',4',5,6,7,8-Heptahydroxyflavone","Apigenin 7-di-O-xyloside","Tenofovir","Urobilin","5-Hydroxy-2-oxoindolin-3-yl sulfate","Celecoxib glucuronide","Dimethylarsinous acid","Des-arg(9)-bradykinin","N-Methylhydantoin","8-Hydroxyadenine","Imidazoleacetic acid ribotide","Manganese chloride","Chembl4211493","Bis(2-methylundecan-2-yl) Disulfide","PC(P-16:0/18:3(9Z,12Z,15Z))","2,6,10-Trimethyldodecanoic acid","alpha-Tocopheryloxyacetic acid","Iron(III) ammonium citrate","DIMBOA trihexose","Feruloyldihydro-beta-sitosterol","Fumaryl","Dalbergin","Sitaxentan","Bis(2,3,3,3-tetrachloropropyl) ether","oxalyl-CoA","Sodium cyclamate","timiperone","Melilotoside A","Acetaminophen glucuronide","Apigenin 7-O-(6''-malonyl-apiosyl-glucoside)","2-Heptadecylfuran","Carboplatin","Shogaol","L-Lysine","Dibutyryl cyclic 3',5'-cytidine monophosphate","Letrozole","isotocin","PG(18:3(9Z,12Z,15Z)/16:0)","PC(PGJ2/2:0)","1-Bromo-3-iodoacetone","Pyridoxine 5'-phosphate","Dodecanoic acid","9,9-Dimethyl-1-(sulfinylamino)decane","(3-Aminopropoxy)guanidine","Alcaftadine","4,4''-bis(N-feruloyl)serotonin","D-mannose 6-phosphate","2-C-methyl-D-erythritol-4-phosphate","Methyl-2-aminobenzoate","gamma-Glutamylaspartic acid","PE(18:3(9,11,15)-OH(13)/18:4(6Z,9Z,12Z,15Z))","Phosphohydroxypyruvic acid","Lenvatinib","Xanthopurpurin","Fluoruracil","N-Acetyl-DL-alanine","Ethyl chloroformate","Dimethylellagic acid glucuronide","3-Hydroxy-L-proline","Lutein ester","hydroxymethylcarbonyl","Metoprolol","Diniconazole","Sporamin","Stearic Acid","2'-Deoxyinosine triphosphate","N-Nervonoyl Valine","Pregnenolone-3,21-disulfate","PC(PGF1alpha/2:0)","TG(15:0/8:0/8:0)","PS(18:2(9Z,12Z)/18:0)","dUMP","Tetraconazole","(R)-Higenamine","Dichlorprop","N-Deisopropyl-fluvastatin","N-Succinimidyl 3-(2-pyridyldithio)propionate","1-Adamantanamine","Sodium (4-methoxybenzoyloxy)acetate","1,2,3-tri-O-Galloyl-beta-4C1-glucose","DG(PGF1alpha/0:0/2:0)","Uridine 3'-monophosphate","PG(18:3(9,11,15)-OH(13)/i-18:0)","Rehmannic acid","Nonacosane","Lormetazepam","PGP(20:5(6E,8Z,11Z,14Z,17Z)-OH(5)/i-16:0)","Tivozanib","Pralidoxime","2-Nitrofuran","L-glyceraldehyde 3-phosphate","PC(22:2(13Z,16Z)/16:1(9Z))","Zabicipril","N-Lactoyl ethanolamine phosphate","Androstane-3,17-diol dipropionate","2-O-p-Coumaroyltartronic acid","Tezacaftor","Pazopanib","Thiamine monophosphate","Tenidap","Phenylalanylleucine","Selumetinib","polyneuridine aldehyde","1,2,3,4,7,8,9-Heptachlorodibenzofuran","2,6-Dichloro-4-nitrophenol","L-Arginine, L-asparaginylglycyl-","4-Amino-2,6-dinitrotoluene","Brevilagin I","Tiotropium","Cyclohexa-1,2,4,5-tetraene","Flavogallol","SM(d18:1/18:1(12Z)-2OH(9,10))","Salicylanilide","Belinostat glucuronide","Tuliposide B","Nb-Tricosanoyltryptamine","Legumin","4-Amino-5-hydroxy-2,7-naphthalenedisulfonic acid","Linezolid","oxalosuccinate","cyclic GMP-AMP","xi-3-Hydroxy-2-oxobutanoic acid","3-Sulfopyruvic acid","N-gamma-L-Glutamyl-D-alanine","(+)-2-Amino-7-phosphonoheptanoic acid","Sulfapyridine","PG(20:4(7E,9E,11Z,13E)-3OH(5S,6R,15S)/i-15:0)","Carbamazepine-10,11-epoxide","S-Trichlorovinyl-N-acetylcysteine","1-Carboxyethyl","Oxaliplatin","PI(18:1(12Z)-2OH(9,10)/20:1(11Z))","4-(Phosphonomethyl)piperidine-2-carboxylic acid","TG(18:1(9Z)/15:0/22:1(13Z))","Pyridate","Robalzotan","TG(24:1(15Z)/14:0/O-18:0)","Deoxyuridine","Kojic acid","2-Pyrroloylglycine","Phenylacetylglycine","Indoxacarb","5-amino-1-(5-phosphonato-D-ribosyl)imidazol-3-ium","5-Fluorodeoxyuridine monophosphate","PE-NMe(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:1(9Z))","2,4,6-Octatriynoic acid","Dinaline","trans-Nonachlor","Norathyriol","Iron vitriol","DI(Hydroxyethyl)ether","Molinate","Azaribine","DG(14:0/0:0/14:1n5)","Nitroxinil","2-O-(6-Phospho-alpha-mannosyl)-D-glycerate","N'-Hydroxysaxitoxin","Metaflumizone","sitostanol","1,2',3,5-Tetra-O-galloylhamamelofuranose","Nilutamide","3-2-carboxyphenylcatechol","Didodecyl thiobispropanoate","2-Amino-3,4-dihydroxypentanedioic acid","Tyrosol glucuronide","Erythrohydrobupropion","Lemon","TG(14:0/8:0/8:0)","Succinimidyl carbonate","Isoallolithocholic acid","OP-1118","Histidylaspartic acid","N-methyl-beta-alanine","Phytosphingosine","DG(24:0/0:0/20:3n6)","SM(d18:1/24:1(15Z))","Rhizoxin","Oxyhyponitrite","PGP(20:3(8Z,11Z,14Z)-2OH(5,6)/i-14:0)","Ethyl methylphosphonate","7,8-dihydrofolate","3-Aminopropylphosphonic acid","1-Naphthyl isocyanate","Indoleacrylic acid","Oleacein","Propranolol","Fucoxanthinol","Urate radical","Ruthenium","Ergocalciferol","Arhalofenate","Verubecestat","thienylcyclohexylpiperidine","Zonampanel","5-(Methylthio)-2,3-dioxopentyl phosphate","Coumarin","Wilforine","Avatrombopag","Benzoylprop-ethyl","phenylacetohydroximoyl-glutathione","TG(18:3(9Z,12Z,15Z)/22:0/O-18:0)","PS(20:4(5Z,8Z,11Z,14Z)/16:0)","Cyclophosphamide","9-Hexadecenoylcarnitine","Cladribine","LysoPC(18:2(9Z,12Z)/0:0)","Aplysiatoxin, 17-debromo-","CerP(d18:1/16:0)","Linamarin","5-Hydroxytryptophol glucuronide","Dulofibrate","isobutanoyl-CoA","alpha-Linolenic acid","Moroxydine","LysoPC(0:0/18:0)","Wilforgine","S-(2,2-Dichloro-1-hydroxy)ethyl glutathione","Longamide","Glucosylisomaltol","Algesterone acetophenide","Calcium chloride (CaCl2)","N-Methyl-DL-alanine","Nemifitide","LysoPA(8:0/0:0)","N6,N6,N6-Trimethyl-L-lysine","thienodiazepine","5-Hydroxyindole","Isotetrandrine","isothiazolone","TG(20:3n6/14:1(9Z)/20:3n6)","Damme","PC(20:3(8Z,11Z,14Z)-2OH(5,6)/24:0)","Methyl 2E,4Z-hexadecadienoate","2,2'-Dithiodiethanesulfonic acid","2,2-Dihydroperoxypropane","Glycerophosphoinositol","2'-Phosphophloretin","DL-Homoserine","Potassium salts of fatty acids","PYR-41","Inosine 2',3'-cyclic phosphate","2-Chloro-1-(chloromethyl)ethyl carbamate","Quazepam","DG(14:1n5/0:0/18:4n3)","Trimethylselenonium","Nasutin A","1-(Perfluorohexyl)octane","L-Serine","9-(6-Oxo-1H-purin-9-yl)-3H-purine-2,6-dione","Sodium alginate","Aspartyl-Asparagine","1-Nitro-3,5-dinitroso-1,3,5-triazinane","Arsenite","2-O-Acetyl-trans-coutaric acid","Naratriptan","Pazufloxacin","Rufinamide","Benzeneacetamide-4-O-sulphate","Heptachlor exo-epoxide","Isoxaflutole","Primaquine","Ganoderiol C","Fertilysin","Furazan","2-Maleylacetate","m-Chlorophenylbiguanide","2,4-Dinitroanisole","piperazine-2,3-dione","TYRPHOSTIN AG 555","Glucose pyruvate lactate","3-Formyl Rifamycin","Hovenidulcigenin B","(-)-Abscisic acid","S-(1,2-dichlorovinyl)-L-cysteine sulfoxide","4,4'-Dichlorodiphenyldichloroethane","PS(18:1(12Z)-2OH(9,10)/20:5(5Z,8Z,11Z,14Z,17Z))","iodo tyrosine","4-Methoxycinnamaldehyde","Serinyl-Gamma-glutamate","CDP-DG(18:1(12Z)-2OH(9,10)/18:1(9Z))","Cer(t18:0/5-iso PGF2VI)","Glycidol","Dihydrouracil","8-Azahypoxanthine","DG(18:1(12Z)-2OH(9,10)/0:0/i-12:0)","Antipyrine","5-Hydroxycapsanthin","Remoxipride","delta-24-25-sitosterol","Dicamba","2-Deoxy-2,3-dehydro-n-acetyl-neuraminic acid","Theaflavin 3-O-gallate","L-alaninamide","UDP-alpha-D-galactose","Tetradecan-2-ol","DG(16:1(9Z)/14:0/0:0)","Melissic acid","Capecitabine","2-(Difluoromethyl)arginine","Perfluorotridecanoic acid","Asperulosidic acid","3'-(2'',6''-Digalloylglucosyl)-phloroacetophenone","Mocimycin","Tizoxanide glucuronide","Tri-N-acetylchitotriose","Perflubutane","Carboxyfluorescein diacetate","4-hydroxy-3-nitrophenylacetate","Gacyclidine","morpholino","Chlorophenol red","Oxaluric acid","PC(18:1(12Z)-2OH(9,10)/2:0)","2-Amino-3-Methyl-1-Pyrrolidin-1-Yl-Butan-1-One","Lactyl-CoA","1,4-Diphenethylpiperazine","Citroflex A-4","(4-Aminophenyl)phosphonic acid","(S)-2-Methyl-1-butanol O-beta-D-Glucopyranoside","L-2-Amino-6-oxohexanoic acid","Bis(perfluorobutyl)ethene","Cedazuridine","Cosmosiin galacturonide","Quinic acid","Epidepride","Nitarsone","Pedunculagin","Sodium triphosphate (Na5(P3O10))","Acetylcholine","PE(PGF1alpha/P-16:0)","N-(1-Deoxy-1-fructosyl)serine","Anhydro-5alpha-cyprinol","(S)-scoulerine","Cholylvaline","trans-isoeugenol-O-glucuronide","DG(20:2n6/0:0/22:2n6)","thiol-maleimide","Camostat","Loviride","2-(3,4-Dimethoxyphenyl)-3-fluoroallylamine","lamotrigine-2-N-glucuronide","thalianol","trans-zeatin riboside diphosphate","Flubendazole","Chlorothiazide","2,4-Dinitro-1-naphthol","erythro-6,8-Dotriacontanediol","Hydroxysanguinarine","Tiglylglycine","8-C-Ascorbylepigallocatechin 3-gallate","Sodium methyl sulfate","Tramadol","Lactitol","Edta citrate","Sulfotep","Cotinine","Homodolicholide","dIDP","Sodium tartrate","Cer(d16:1/5-iso PGF2VI)","Oxolinic acid","Acarviosin","Glycylprolylarginine","Cepharadione B","Polyribophosphate","Aristolochic acid B","PE(14:1(9Z)/16:0)","Dimethyl diselenide","Vitamin K1","BATRACHOTOXIN","PC(MonoMe(9,5)/DiMe(9,3))","Menatetrenone Epoxide","R1-Barrigenol","Selenohomocystine","Kaempferol 7-(3G-glucosylgentiobioside)","isoleucine glutamate","Methyl 5-(hydroxymethyl)pyrrolidine-3-carboxylate","Gentisein","D-Glycerate 3-phosphate","6-Hydroxyindoxyl sulfate","gamma-Glutamyldopa","Cyclosquamosin A","Homodihydrocapsaicin","Oxypurinol","Picrotoxinin","TG(20:4(8Z,11Z,14Z,17Z)/22:0/O-18:0)","Delphinidin 3-lathyroside 5-(6-acetylglucoside)","Cyclohexyl Methylphosphonate","DL-alpha-Aminocaprylic acid","Alkanes","3,3'-Dichlorobenzidine","Fructose diphosphate","1,6-di-O-Galloylglucose","1-Sulfonylurea","4-Nitro-3-(trifluoromethyl)phenol","Alendronic acid","1-Methylcytosine","Threonylphenylalanine","2-Cyanoethyl dihydrogen phosphate","Esterase","Dodecylglycerol","Pelargonidin 3-rutinoside","5-(4-Acetamidophenyl)pyrazin-2(1H)-one","Imidazolepropionic acid","PE-NMe2(24:1(15Z)/18:0)","2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate","FIC","Fluorescein 5-maleimide","Deoxyadenosine monophosphate","2-Oxo-3-hydroxy-4-phosphobutanoic acid","Enilconazole","4-Nitrophenyl beta-D-xyloside","Pyro-L-glutaminyl-L-glutamine","formononetin methylated","(-)-Epigallocatechin 3,4'-di-gallate","Chloromethyl chloroformate","1,2-Difluoro-3,4-dinitrobenzene","PA(i-22:0/a-25:0)","Imirestat","Diphenyl dichloroethane","Glycine formate","TG(16:1(9Z)/22:2(13Z,16Z)/16:1(9Z))","N-(1-Deoxy-1-fructosyl)threonine","5'-Hydroxycotinine","Dimyristoyl phosphatidic acid","7,8-dihydromonapterin","Triclosan glucuronide"],"additional_accession":[]},"is_claimable":false,"name":"Dynamic Changes and Clinical Significance of Gut Microbiota and Serum Metabolites in Breast Cancer Onset, Progression and Chemotherapy Intervention","description":"Background: Breast cancer progression and treatment are increasingly linked to systemic metabolic and microbial alterations. Previous studies have identified distinct gut microbiome profiles and serum metabolite shifts in breast cancer patients compared to healthy individuals, yet longitudinal multi-omics evidence across the disease continuum—from benign conditions through malignancy and after chemotherapy—remains scarce. A comprehensive characterization of the gut–serum–tumor axis could reveal stage-specific signatures for improved diagnosis and monitoring.
Objective: Gut microbiota dysbiosis and host metabolic reprogramming are closely associated with breast cancer development and treatment response, yet integrative gut microbiome–metabolome studies spanning benign breast disease, malignant transformation, and the post-chemotherapy stage remain limited. This study aimed to systematically characterize dynamic changes along the gut microbiota–serum metabolome–breast tumor axis from benign breast disease (BBD) to breast cancer (BC) and post-chemotherapy breast cancer (PCBC), and to evaluate their diagnostic and disease-monitoring potential.
Methods: We enrolled 295 female participants, categorized into BBD (n = 83), BC (n = 100), and PCBC (n = 88) groups, including 24 patients who provided paired fecal samples before and after chemotherapy. Fecal samples underwent 16S rRNA sequencing, and serum samples were analyzed using LC–MS/MS-based untargeted metabolomics. Gut microbial diversity, taxonomic composition, and predicted functional profiles were compared across groups, and differential metabolites and enriched metabolic pathways were identified. In a subset with paired multi-omics data (BBD n = 19, BC n = 31, PCBC n = 34), Spearman correlation analysis, multi-omics PCA/PLS-DA, and random forest modeling were applied to integrate microbial and metabolic features.
Results: α-diversity did not differ among BBD, BC, and PCBC, but β-diversity showed clear community separation. BBD was enriched in SCFA-producing genera (Faecalibacterium, Roseburia), BC in inflammation/tumor-associated genera (Blautia, Fusobacterium, Sneathia, Prevotella), and PCBC in opportunistic pathogens (Phocaeicola, Sutterella, Enterococcus, Chlamydia), indicating a shift toward an inflammation- and pathogen-dominated dysbiosis. Untargeted metabolomics (>3,000 metabolites) revealed distinct benign–malignant and pre–post chemotherapy profiles, mainly involving amino acid, lipid, purine, and drug metabolism. BC showed broad metabolic disruption with widespread depletion, while PCBC partially normalized these changes and activated estrogen, bile acid, and drug-metabolism pathways, yet retained persistent perturbations in purine/nucleotide, carbon, and amino acid metabolism. Key metabolites (torsemide, cortolone-3-glucuronide, trimethylselenonium) achieved AUC > 0.75, supporting diagnostic and treatment-monitoring potential. Correlation networks indicated a transition from probiotic–energy/amino acid/polyphenol coupling to a new state driven by pro-inflammatory/opportunistic taxa with lipid reprogramming, xenobiotic metabolism, and oxidative stress. Integrative multi-omics models improved discrimination across stages and nominated paired microbial–metabolite biomarker candidates, including anaerobic Gram-positive cocci and Lactobacillus-related taxa.
Conclusion: By integrating gut microbiome and serum metabolomics, we show that the gut microbiota–host metabolism–breast tumor axis is progressively reshaped from benign breast disease to breast cancer and after chemotherapy, marked by commensal depletion, opportunistic expansion, and energy/lipid metabolic reprogramming, with a persistent post-chemotherapy imprint featuring drug-metabolism and oxidative-stress activation. Multi-omics models improved stage discrimination, and the combined bacterial genera–metabolite signatures may support diagnostic stratification, treatment monitoring, and microbiome-targeted intervention in breast cancer.
","dates":{"publication":"2026-05-08","submission":"2026-01-08"},"accession":"MTBLS13634","cross_references":{"HMDB":["HMDB0013220","HMDB0000094","HMDB0000958","HMDB0000749","HMDB0001991","HMDB0001448","HMDB0000641","HMDB0000011","HMDB0000098","HMDB0250793","HMDB0031647","HMDB0000289","HMDB0000177","HMDB0000393","HMDB0000162","HMDB0000562","HMDB0004400","HMDB0000301","HMDB0000158","HMDB0000296","HMDB0033585","HMDB0062547","HMDB0341104","HMDB0000195","HMDB0001624","HMDB0059911","HMDB0010738","HMDB0000957","HMDB0341318","HMDB0010319","HMDB0240217","HMDB0028848","HMDB0000784","HMDB0029723","HMDB0304928","HMDB0000017","HMDB0000714","HMDB0000228","HMDB0001895","HMDB0000715","HMDB0000671","HMDB0240459","HMDB0006344","HMDB0000840","HMDB0061115","HMDB0011686","HMDB0001889","HMDB0000350","HMDB0011635","HMDB0061933","HMDB0029738","HMDB0012308","HMDB0032574","HMDB0062775","HMDB0094710","HMDB0011621","HMDB0001232","HMDB0062551","HMDB0240506","HMDB0000933","HMDB0341263","HMDB0000711","HMDB0013302","HMDB0059745","HMDB0001935","HMDB0032876","HMDB0240624","HMDB0004586","HMDB0002327","HMDB0000623","HMDB0001032","HMDB0004980","HMDB0341315","HMDB0000872","HMDB0186954","HMDB0240579","HMDB0002639","HMDB0000774","HMDB0010318","HMDB0000138","HMDB0000387","HMDB0000672","HMDB0304121","HMDB0242602","HMDB0000518","HMDB0012458","HMDB0034297","HMDB0011534","HMDB0000054","HMDB0061706","HMDB0011509","HMDB0061695","HMDB0011517","HMDB0011477","HMDB0061693","HMDB0011514","HMDB0003229","HMDB0002183","HMDB0240261","HMDB0011129","HMDB0000444","HMDB0000156","HMDB0000208","HMDB0000606","HMDB0000107","HMDB0062251","HMDB0000710","HMDB0000943","HMDB0000115","HMDB0000660","HMDB0028922","HMDB0001859","HMDB0000669","HMDB0000563","HMDB0000682","HMDB0011725","HMDB0013245","HMDB0137904","HMDB0029666","HMDB0060484","HMDB0059709","HMDB0014378","HMDB0002390","HMDB0001858","HMDB0006236","HMDB0032573","HMDB0240480","HMDB0034172","HMDB0012322","HMDB0010320","HMDB0030524","HMDB0035698","HMDB0000413","HMDB0002124","HMDB0000037","HMDB0013825","HMDB0014457","HMDB0244272","HMDB0240259","HMDB0000248","HMDB0035919","HMDB0013248","HMDB0041974","HMDB0059586","HMDB0000511","HMDB0006294","HMDB0014950","HMDB0000626","HMDB0010731","HMDB0000391","HMDB0014607","HMDB0007855","HMDB0008994","HMDB0061659","HMDB0006528","HMDB0002925","HMDB0000573","HMDB0008928","HMDB0009003","HMDB0000956","HMDB0000169","HMDB0001366","HMDB0000355","HMDB0000283","HMDB0006790","HMDB0014342","HMDB0001890","HMDB0004813","HMDB0000930","HMDB0001972","HMDB0094718","HMDB0001713","HMDB0001489","HMDB0000620","HMDB0001392","HMDB0032037","HMDB0000468","HMDB0003447","HMDB0001530","HMDB0000215","HMDB0001586","HMDB0000512","HMDB0000559","HMDB0000625","HMDB0000701","HMDB0260223","HMDB0341374","HMDB0003153","HMDB0014850","HMDB0000955","HMDB0005794","HMDB0003306","HMDB0015305","HMDB0014359","HMDB0341324","HMDB0030474","HMDB0034069","HMDB0015168","HMDB0062720","HMDB0002577","HMDB0253690","HMDB0061643","HMDB0340898","HMDB0003869","HMDB0000847","HMDB0000917","HMDB0255727","HMDB0000502","HMDB0000826","HMDB0011538","HMDB0000560","HMDB0010163","HMDB0252338","HMDB0254490","HMDB0255603","HMDB0245336","HMDB0256131","HMDB0252211","HMDB0249113","HMDB0259496","HMDB0304085","HMDB0245437","HMDB0015387","HMDB0244867","HMDB0245073","HMDB0041985","HMDB0256769","HMDB0255652","HMDB0251309","HMDB0000599","HMDB0252378","HMDB0247366","HMDB0250726","HMDB0258749","HMDB0015022","HMDB0033241","HMDB0059964","HMDB0253255","HMDB0011759","HMDB0258429","HMDB0012258","HMDB0037102","HMDB0001453","HMDB0037105","HMDB0015106","HMDB0059921","HMDB0249234","HMDB0244035","HMDB0254601","HMDB0250835","HMDB0247473","HMDB0059634","HMDB0252831","HMDB0250125","HMDB0015609","HMDB0256940","HMDB0008888","HMDB0030205","HMDB0303934","HMDB0247441","HMDB0248040","HMDB0244033","HMDB0246008","HMDB0029628","HMDB0015315","HMDB0242102","HMDB0001068","HMDB0258755","HMDB0303421","HMDB0251045","HMDB0251598","HMDB0040684","HMDB0246217","HMDB0252391","HMDB0257695","HMDB0255761","HMDB0060505","HMDB0251326","HMDB0304422","HMDB0031669","HMDB0302879","HMDB0304309","HMDB0246027","HMDB0005874","HMDB0255136","HMDB0247093","HMDB0250945","HMDB0255248","HMDB0060440","HMDB0259917","HMDB0000226","HMDB0303831","HMDB0245029","HMDB0257428","HMDB0246430","HMDB0250359","HMDB0256488","HMDB0254525","HMDB0033151","HMDB0302618","HMDB0244992","HMDB0254657","HMDB0001443","HMDB0001491","HMDB0252226","HMDB0012260","HMDB0244389","HMDB0252467","HMDB0245175","HMDB0015312","HMDB0034852","HMDB0256444","HMDB0060659","HMDB0255618","HMDB0246204","HMDB0041929","HMDB0254277","HMDB0246869","HMDB0303512","HMDB0011625","HMDB0031798","HMDB0246473","HMDB0247438","HMDB0002006","HMDB0303046","HMDB0257737","HMDB0250607","HMDB0061102","HMDB0041822","HMDB0034322","HMDB0247942","HMDB0060244","HMDB0003349","HMDB0004527","HMDB0250139","HMDB0251164","HMDB0001274","HMDB0258932","HMDB0012133","HMDB0246129","HMDB0259082","HMDB0246476","HMDB0256596","HMDB0259314","HMDB0003192","HMDB0255633","HMDB0015074","HMDB0252266","HMDB02563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