After data preprocessing in Progenesis QI, metabolic features (defined by unique combinations of retention time and m/z) were extracted. For each feature, the software performed database searching to match experimental data (accurate mass, MS/MS fragments if available) with reference metabolite information. A mass deviation tolerance of 5 ppm was set for accurate mass matching to ensure reliability.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - HILIC","Liquid Chromatography MS - negative - HILIC"],"chromatography_protocol":["Positive ion mode (POS):
Mobile phase A: 10 mM ammonium acetate in acetonitrile:water (95:5, v/v) with 0.1% formic acid.
Mobile phase B: 10 mM ammonium acetate in acetonitrile:water (50:50, v/v) with 0.1% formic acid.
Negative ion mode (NEG):
Mobile phase A: 10 mM ammonium acetate in acetonitrile:water (95:5, v/v), pH adjusted to 8.0 with ammonia solution.
Mobile phase B: 10 mM ammonium acetate in acetonitrile:water (50:50, v/v), pH adjusted to 8.0 with ammonia solution.
Samples were separated using a micro-liter flow ultra-high performance liquid chromatography (UHPLC) system, Nexera UHPLC LC-30A. First, the chromatographic column was equilibrated with 98% mobile phase A. Subsequently, samples were delivered to a HILIC column (Waters, ACQUITY UPLC BEH Amide, 1.7 μm, 2.1×100 mm) via an autosampler, with a flow rate of 0.3 mL/min. The elution gradient was as follows: starting with 2% mobile phase B for 0.5 minutes, then increasing mobile phase B from 2% to 98% over the next 11.5 minutes. After maintaining 98% mobile phase B for 4 minutes, it was adjusted back to 2% mobile phase B within 0.1 minutes, followed by a 1.9-minute washing period at 2% mobile phase B.
"],"publication":["Plasma metabolomic and lipidomic signatures characteristic of treatment non-response in rheumatoid arthritis. 10.3389/fimmu.2026.1787287."],"submitter_affiliation":["Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University"],"submitter_name":["Jiaxi Chen"],"organism_part":["blood plasma"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Samples were slowly thawed at 4°C. An appropriate amount of sample was taken and mixed with 4 volumes of pre-cooled methanol/acetonitrile solution (1:1), vortexed for 30 seconds, and then incubated at -20°C for 1 hour. After centrifugation at 14,000g and 4°C for 20 minutes, the supernatant was transferred to a new EP tube, dried under vacuum at room temperature, and stored at -80°C.
Preparation of quality control (QC) samples: Equal volumes of all samples were pooled to prepare QC samples. The QC samples were processed in parallel using the above-described method, lyophilized, and stored at low temperature for later use.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS13238"],"author":["Jiaxi Chen. Clinical laboratory. Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University. chenjx@enzemed.com.","Jiani Chen. Clinical laboratory. Taizhou Hospital of Zhejiang Province affiliated to Wenzhou Medical University. 503192838@qq.com."],"data_transformation_protocol":["The raw mass spectrometry data (RAW files) generated by the Q Exactive HF-X mass spectrometer were first converted into open-format files using Thermo Fisher Xcalibur software (or its built-in file conversion tool) to ensure compatibility with downstream analysis platforms. This conversion step retained key information such as retention time, m/z values, and ion intensities while standardizing the data structure.
Subsequently, the converted data were imported into Progenesis QI software for further preprocessing, including noise reduction, baseline correction, peak alignment across samples, and normalization (e.g., QC-based normalization to minimize systematic variations). These steps transformed the raw spectral data into a quantitative matrix of metabolic features (rows: features; columns: samples), laying the foundation for subsequent feature identification and metabolite annotation.
"],"study_factor":["Treatment","Disease staging"],"submitter_email":["chenjx@enzemed.com"],"sample_collection_protocol":["Peripheral blood samples were collected from 30 patients with RA and 10 HC. All RA patients fulfilled the diagnostic criteria established by the American College of Rheumatology (ACR) or the European League Against Rheumatism (EULAR) guidelines. All RA participants were receiving treatment with at least one DMARD and fulfilled the following inclusion criteria: age ≥18 years and a disease duration of at least 6 weeks. Exclusion criteria for RA patients included: (1) a diagnosis of any autoimmune disease other than RA, (2) a history of severe chronic infections or the presence of any current infection, (3) diagnosis of cancer, (4) pregnancy or lactation. HC were required to meet the inclusion criteria of being ≥18 years old with normal results from recent liver and kidney function tests. The exclusion criteria for healthy controls were: (1) a diagnosis of any autoimmune disease, (2) a history of severe chronic infections or the presence of any current infection, (3) diagnosis of cancer, and (4) pregnancy or lactation. Venous blood samples were obtained from all participants in the morning prior to breakfast. Following collection, blood samples were centrifuged to isolate plasma, which was stored at −80 °C until further analysis. Details of the cohort can be found in Table 1 of the paper associated with this study.
"],"omics_type":["Metabolomics"],"study_design":["ultra-performance liquid chromatography-mass spectrometry","Plasma","blood plasma","QC sample metric","untargeted analysis","Thermo Scientific Q Exactive HF-X","ultra-performance liquid chromatography","untargeted metabolites","Homo sapiens","rheumatoid arthritis","Evaluation of Response to Treatment"],"curator_keywords":["ultra-performance liquid chromatography-mass spectrometry","Plasma","blood plasma","QC sample metric","untargeted analysis","Thermo Scientific Q Exactive HF-X","ultra-performance liquid chromatography","untargeted metabolites","Homo sapiens","rheumatoid arthritis","Evaluation of Response to Treatment"],"mass_spectrometry_protocol":["After separation by the analytical column, the samples were analyzed using a Q Exactive HF-X mass spectrometer. Data were acquired in positive and negative ion modes separately. For full-scan MS (MS¹), the mass-to-charge (m/z) range was 70–1050, with a resolution of 120,000, an automatic gain control (AGC) target of 3e6, and a maximum ion injection time (IT) of 100 ms. For tandem MS (MS²), the resolution was 7,500, an AGC target of 2e5, and a maximum IT of 50 ms. Higher-energy collisional dissociation (HCD) was used for fragmentation, with normalized collision energies (NCE) set at 20, 40, and 60. The isolation window was 1.5 m/z, and the m/z range for product ions was 200–2000.
"],"metabolite_name":["PS(18:0/18:0)","24-Methyl-24-methoxycycloartanol","LysoPA(24:1(15Z)/0:0)","Cephaloglycin","(10E,13E)-Nonadeca-10,13-dienoylcarnitine","Cefuroxime","Kinetin","N,N'-Diacetylchitobiosyldiphosphodolichol","4-Sulfoxyphenylacetyl dehydroalanine","6-Methylpteridine-2,4-diamine","Nitroimidazo-oxazine","Acetamide, 2-(diethylamino)-N-(2-(octyloxy)phenyl)-","SCHRADAN","3-Dechloroethylifosfamide","D-Glucuronic acid","Isoeugenol phenylacetate","2-Ethyl-1-hexanol sulfate","3'-Hydroxyflavanone","2-[4-[4-(4-Carbamimidoylphenyl)piperazin-1-yl]piperidin-1-yl]acetic acid","4,5-Dihydro-6-(4-(imidazol-1-yl)phenyl)-5-methyl-3(2H)-pyridazinone","Lerisetron","1,1-Diphenylhexatriene","Thiazinamium","N2-Acetylornithine","N-Nervonoyl Aspartic acid","Arginylproline","N-Gluconyl ethanolamine","m-chlorophenylpiperazine (m-CPP)","Digitoxigenin bisdigitoxide","2,4,12-Octadecatrienoic acid isobutylamide","[(2S,3S,4S,5S,6R)-4,5-Dihydroxy-2,6-dimethyloxan-3-yl] hydrogen sulfate","(Z)-9-Cycloheptadecen-1-one","Avocadyne 2-acetate","LysoPC(14:0/0:0)","DG(15:0/16:1(9Z)/0:0)","1-(8Z,11Z,14Z-eicosatrienoyl)-glycero-3-phosphate","(R)-2-Amino-N-(2,2,4,4-tetramethyl-3-thietanyl)propanamide","Chenodeoxycholylmethionine","5-Fluoro-adb, (+/-)-","2-Diethylaminoethanol","PE(DiMe(13,5)/LTE4)","Acifluorfen","N-((1R,2S,4S)-Bicyclo[2.2.1]heptan-2-yl)-9-methyl-9H-purin-6-amine","Cer(d18:2(4E,14Z)/18:1(12Z)-2OH(9,10))","Vericiguat","Tyrosyl-Cysteine","6-Benzylaminopurine","2-Amino-3-methyl-1-pyrrolidin-1-YL-butan-1-one","(+)-Setoclavine","Alizarin complexone","Ethyl 3-(4-Fluorophenyl)-3-Oxopropanoate","1,3-Diisopropylbenzene","Imidazotetrazine","TG(8:0/8:0/8:0)","4-Methoxybenzenepropanol 1-(2-sulfoglucoside)","Octaethylene glycol","Nona-4,6-dienoylcarnitine","Ethylene glycol dinitrate","L-Gizzerosine","Antalarmin","Aminoadipic acid","Gentamicin C","Nb-Palmitoyltryptamine","TG(22:1(13Z)/19:2n6/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","IB-Meca","PA(10:0/17:0)","BENZOYLARGININE-2-NAPHTHYLAMIDE","N,N-Dimethylformamide dimethyl acetal","Torvoside G","Vertilmicin","(S)-Annocherine A","N-(1-Deoxy-1-fructosyl)valine","beta-Ionone","Avocadyne","Silica aerogel","Polypropylene","Theasinensin C","Disodium hydrogen citrate","3-Methyloxindole","L-Carnitine","Teleocidin B 2","Jasmolone glucoside","13-OxoODE","131-hydroxy-magnesium-protoporphyrin IX 13-monomethyl ester","1,8-Bis(dimethylamino)naphthalene","Garciduol B","LysoSM(d18:0)","Phytal","Indolepyruvate","Dysprosium","L-Hexahydro-3-imino-1,2,4-oxadiazepine-3-carboxylic acid","3-O-Acetylepisamarcandin","Linoleic acid","DG(18:0/PGF2alpha/0:0)","Campesterol","SM(d18:1/18:1(11Z))","2-(2-Nitroimidazol-1-yl)-N-(2,2,3,3,3-pentafluoropropyl)acetamide","Quindoxin","beta-Selinene","Melatonin","L-Phenylalanine","2-Hydroxy-6-(8,11,14-pentadecatrienyl)benzoic acid","4-Aminobenzamidine","Alvameline","Ceftolozane","Sphingosine","2,7-Di-tert-butyl-9-fluorenylmethyl chloroformate","hexadecanedioate","(Z)-Methyl 3-(methylsulfinyl)-1-propenyl disulfide","PC(16:0/20:3(8Z,11Z,14Z))","1-(13Z,16Z-docosadienoyl)-glycero-3-phosphate","N-Undecanoylglycine","3-Mercaptohexyl hexanoate","Lisofylline","5a-Androst-3-en-17-one","Tropolone A","Succinylaminoimidazole carboxamide","Mumefural","Clindamycin","Pterosin J","Cyanidin 3-(2G-glucosylrutinoside)","PC(14:0/20:0)","7,8-Dimethoxy-1-(4-nitrophenyl)-3,5-dihydro-2,3-benzodiazepin-4-one","4-(4-chlorophenyl)-4-hydroxypiperidine","1-Methylnicotinamide","PS(20:0/20:4(6E,8Z,11Z,14Z)+=O(5))","Tetrahydrocortisol","PG(a-13:0/i-16:0)","Acetamide, N-(((5S)-3-(3-fluoro-4-(6-(1-methyl-1H-tetrazol-5-yl)-3-pyridinyl)phenyl)-2-oxo-5-oxazolidinyl)methyl)-","PC(22:5(7Z,10Z,13Z,16Z,19Z)/14:1(9Z))","DG(15:0/20:3(5Z,8Z,11Z)/0:0)","Phaseollidin","(6E,8E)-4,6,8-Megastigmatriene","PI(18:3(6Z,9Z,12Z)/6 keto-PGF1alpha)","3-Methyl-2-oxovaleric acid","N-Nervonoyl Alanine","1,1'-Azobis(N,N-dimethylformamide)","(5Z)-13-Carboxytridec-5-enoylcarnitine","7-Methylguanine","2-(S-Glutathionyl)acetyl chloride","2-((6-Amino-9H-purin-9-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-one","PC(14:0/20:3(8Z,11Z,14Z))","CE(20:0)","Pargyline","1-(Malonylamino)cyclopropanecarboxylic acid","Desmedipham","TG(10:0/13:0/8:0)","Gyromitrin","Trecetilide","Cer(d16:1/20:4(6Z,8E,10E,14Z)-2OH(5S,12R))","Pipercide","N-Myristoyl Proline","Erysothiopine","Acrimarine H","Arginylvaline","Homovanillin","6,7-Dimethoxy-2-(piperazin-1-yl)quinazolin-4-amine","(1(10)E,4E,6a,8b)-8-Angeloyloxy-14-oxo-1(10),4,11(13)-germacratrien-12,6-olide","p-Fluorofentanyl","Vanillin 1,2-butylene glycol acetal","L-2,4-diaminobutyric acid","norzolmitripan","2-(Fluoromethyl)-3-(3,4-dihydroxyphenyl)alanine","Triiodothyronine sulfate","pyrimidoindole","3-(4-Methylsulfonylphenyl)-4-phenyl-5-trifluoromethylisoxazole","KBT 1585 hydrochloride","Metamizol","Trimethylamine N-oxide","12-Oxo-2,3-dinor-10,15-phytodienoic acid","5,6-Dimethyl-2,3-pyrazinedicarbonitrile","1,2-Diphenylcyclobutane","N-Hexadecanoylpyrrolidine","5-(3-Aminopropylphosphanyloxy)-2-(hydroxymethyl)pyran-4-one","Allysine","DG(13:0/18:1(12Z)-O(9S,10R)/0:0)","Dichlorophenyl-bis-triazolylpropanol","Annoglabasin F","MG(0:0/22:4(7Z,10Z,13Z,16Z)/0:0)","3b,7a-Dihydroxy-5b-cholanoic acid","N-Linoleoyl Methionine","1,25-Dihydroxy-19-norvitamin D3","1,2,2-Trimethylpropyl dimethylphosphinate","Methyl linoleate","Phenol glucuronide","9-Fluorenylmethyl chloroformate","1-Methyladenosine","N-Stearoyl Valine","Muroctasin","PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))","DG(17:0/PGF2alpha/0:0)","1,N6-Ethenoadenosine","2,1,3-Benzoxadiazole-4-sulfonic acid, 7-fluoro-","TG(10:0/i-12:0/13:0)","Decanenitrile","Ochratoxin C","LysoPE(0:0/22:5(4Z,7Z,10Z,13Z,16Z))","3-[(2Z,3E)-3-(Hydroxyimino)-2,3-dihydro-1H-indol-2-ylidene]-2,3-dihydro-1H-indol-2-one","Rupintrivir","L-Threonine","1,1,1,3,3,3-Hexafluoropropane","2-Hydroxy-5-[2-[[2-hydroxy-3-[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenoxy]propyl]amino]ethoxy]benzamide","Falcarindione","Lisuride","SM(d18:0/16:1(9Z))","4-Aminophenol","(4-Hydroxybenzoyl)choline","Docosatrienoic acid","Gravolenic acid","Phentermine","3- Acetylphenol sulfate","Edetic Acid","4,4'-Bis(2-hydroxyethylethylamino)-2,2'-dimethylazobenzene","3-Deazaneplanocin","PA(10:0/13:0)","PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","8-[(Aminomethyl)sulfanyl]-6-sulfanyloctanoic acid","[12]-Shogaol","Azepexole","24-Methylcycloart-23-en-3beta-yl acetate","Ubiquinone-1","Dihydroceramide","13-L-Hydroperoxylinoleic acid","10,12-Heptacosanedione","8-Methyl-3-hentriacontene","Imiquimod","Calcitriol","triazaacenaphthylene","N-Methylphenylethanolamine","Licorice glycoside B","ent-6R,16bOH,17-Trihydroxy-7-oxo-6,7-seco-19,6-kauranolide 6-O-glucoside","p-Anisidine","Soyasapogenol D","5-Hexyltetrahydro-2-oxo-3-furancarboxylic acid","Dichloroisoproterenol","3a,7a,12a-Trihydroxy-5b-cholestan-26-al","Manzamine A","(Z)-6-Nonenal","2,4-Dodecadienoic acid, 11-methoxy-3,7,11-trimethyl-, 1-methylethyl ester, (2Z,4E,7S)-","10Z-Nonadecenoic acid","3-Fucosyllactose","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","2-Propyl-2,4-pentadienoic acid","Dopamine","Pirlindole","alpha-Fluoro-beta-ureidopropionic acid","ADP-Ribosyl-L-arginine","GHB-Gluc","Famotidine","Brevifolincarboxylic acid 9-sulfate","6-(Methylsulfonyl)hexyl glucosinolate","Eicosadienoic acid","isoleucyl-thiazolidine","Diethyl cyanophosphonate","L-Valine","Eicosapentaenoic acid","PA(15:0/22:2(13Z,16Z))","N-(1-Adamantyl)urea","DGAT-1 inhibitor 2","Mycophenolic acid","Cuminaldehyde","L-Kynurenine","Apitolisib","Creatine","Minoxidil","N2-gamma-Glutamylglutamine","1,4-Bisdesoxycyadox","Diaveridine","2,6-Dimethoxy-4-propylphenol","N-(3-acetamidopropyl)pyrrolidin-2-one","GDP-4-Dehydro-6-deoxy-D-mannose","Octopine","TRIAZIQUONE","Umbralisib","2-[(4-Benzamidophenyl)sulfonylamino]acetic acid","Bexarotene","Histidine glutamate","3a,7a-Dihydroxy-5b-cholestane","Cinnamyl acetate","Heptabarbital","Dihydroresveratrol 3-sulfate","Stallimycin","4-Hydroxypropofol","Brassinolide","Clorprenaline","Linotroban","Adipic acid","Olamufloxacin","4-Iodophenol","5-Hydroxyisourate","Homocysteine thiolactone","Asitribin","Miglustat","METAMITRON","N-[[(2S,3S,4R,5R)-3,4-Dihydroxy-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]oxolan-2-yl]-hydroxymethyl]-N-methylformamide","DHAP(6:0)","Buccoxime","6-Hydroxy-5-fluorocytosine","9-(3-Methyl-5-propylfuran-2-yl)nonanoylcarnitine","PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/24:1(15Z))","Methionyl-Tryptophan","DG(15:0/18:4(6Z,9Z,12Z,15Z)/0:0)","Hexyl glucoside","6-Chloro-N-(1-methylethyl)-1,3,5-triazine-2,4-diamine","Cinnamylideneacetone","1-(11Z-docosenoyl)-glycero-3-phosphate","10-(3,4-Dimethyl-5-pentylfuran-2-yl)decanoylcarnitine","Tiflorex","Palmitoleic acid","Methyl 2-(10-heptadecenyl)-6-hydroxybenzoate","N-Palmitoyl Cysteine","2-Amino-a-carboline","7-a,25-Dihydroxycholesterol","Tulathromycin A","2'-Deoxysepiapterin","methoxycatecholamine","Caproic acid","(S)-Norfenfluramine","DG(16:0/20:4(5Z,8Z,11Z,14Z)/0:0)","3-(3-Hydroxy-4-methoxynaphthalen-1-yl)oxypropane-1,2-diol","(S)C(S)S-S-Methylcysteine sulfoxide","Dimethylethanolamine","Myristoylglycine","Citpressine I","PA(10:0/20:3(8Z,11Z,14Z)-2OH(5,6))","Pteroic acid","delta-Tocotrienol","3,5-Dimethoxytoluene","Bicine","Tetrahydrobiopterin","(2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine","3-Hydroxyoctadecanoylcarnitine","13'-Carboxy-gamma-tocopherol","Pentadecanoylcarnitine","Berberine","(S)-3-Butyl-1(3H)-isobenzofuranone","Granisetron","1,2-Dihydro-1,1,6-trimethylnaphthalene","PC(20:3(5Z,8Z,11Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","Deoxyadenosine","3-Hexenyl salicylic acid","PGP(i-19:0/6 keto-PGF1alpha)","Neuraminic acid","Cysteinylglycine","Edrophonium","27-Norcholestanehexol","9-Deaza-9-(3-thienylmethyl)guanine","Cyclo(his-pro)","(9E)-10-nitrooctadecenoic Acid","6alpha-hydroxy-castasterone","(+)-Lysergic acid","Hydroxyphenylacetylglycine","S-(N,N-Diethyldithiocarbamoyl)-N-acetyl-L-cysteine","Glycyl-l-histidyl-l-lysine","Phenazine-2,3-diamine","Azulene","(S)-4-(4-Methylphenyl)-2-pentanone","Capsidiol","Selenium Sulfide","Sulfametopyrazine","Pamicogrel","Acetylcysteine","Malvidin 3-(6-coumaroylglucoside)","(-)-trans-Carveol","L-Isoleucine","Endralazine","5-Fluoroorotic acid","5-(3',4',5'-Trihydroxyphenyl)-gamma-valerolactone-3'-O-sulphate","O-b-D-Gal-(1->3)-O-[O-b-D-Gal-(1->4)-2-(acetylamino)-2-deoxy-b-D-Glc-(1->6)]-2-(acetylamino)-2-deoxy- D-Galactose","TIFLAMIZOLE","4-({4-[(2,4,6-Trimethylphenyl)amino]-1,3,5-triazin-2-yl}amino)benzonitrile","5-(4-Acetoxy-3-oxo-1-butynyl)-2,2'-bithiophene","Palmitoylcarnitine","13'-Hydroxy-alpha-tocotrienol","2,2-Dimethylpropanoyloxymethyl (4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3R)-5-oxopyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate","LysoPC(20:4(5Z,8Z,11Z,14Z)/0:0)","LysoPC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)","1-Phenyl-1,3-eicosanedione","L-Aspartic acid","s-Allyl cysteine sulfoxide","LysoPC(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","2',3-Dimethyl-4-aminobiphenyl","Glutamate nitrogen","Cerebronic acid","Hexylcaine","Trinitrosotrimethylenetriamine","Triethylene glycol monohexyl ether","(9Z,11E,13E,15Z)-4-Oxo-9,11,13,15-octadecatetraenoic acid","N6-Ethanimidoyl-D-lysine","Octadecyl fumarate","N,N-Dimethyl-4-nitrosoaniline","Curcumin","Anordrin","3-Amino-2,3-dihydrobenzoic acid","2-Hydroxymyristic acid","Aminopentol","DG(10:0/20:3(6,8,11)-OH(5)/0:0)","Dethiobiotin","Adibendan","3,4,5-Trimethoxycinnamic acid","Alpha-Trisaccharide","13-Hydroxy-9-methoxy-10-oxo-11-octadecenoic acid","1,5-Diphenylcarbazide","2-Hexadec-7-enylicosa-8,11-dienedioic acid","2-Cyclotetradecen-1-one","2-(Ethylamino)-4,5-dihydroxybenzamide","Levorphanol","22-Acetylpriverogenin B","Arginylglutamic acid","TG(18:0/18:2(9Z,12Z)/20:4(5Z,8Z,11Z,14Z))","PE(22:4(7Z,10Z,13Z,16Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","Antigastrin","Streptidine","4-(1,3-Benzothiazol-2-yl)-2-methylaniline","(S1)-Methoxy-3-heptanethiol","Meticillin","SM(d18:1/14:0)","Peramine","Coniferyl alcohol","Stearoylcarnitine","1-(11Z-eicosenoyl)-glycero-3-phosphate","Acetyl-D-carnitine","Pemirolast","Porrigenin A","2-Methylbenzoic acid","benalfocin","3-(4-Methoxy-2-methylphenyl)-2,5-dimethyl-N-pentan-3-ylpyrazolo[1,5-a]pyrimidin-7-amine","LysoPC(P-18:1(9Z)/0:0)","Flavone","(7,8-Dihydro-5-((E)-((a-(3-pyridyl)benzylidene)aminooxy)ethyl)-1-naphthyloxy)acetic acid","Evogliptin","Hexamethylphosphoramide","L-Proline","Fendiline","MG(0:0/24:1(15Z)/0:0)","S-(3-Methyl-2-butenyl) 2-methylpropanethioate","Polyoxyethylene 40 monostearate","Hydralazine acetone hydrazone","Cysteineglutathione disulfide","(+)-threo-2-Amino-3,4-dihydroxybutanoic acid","1,2,3,7,8,9-Hexachlorodibenzo-P-dioxin","Flumioxazin","16-oxo-palmitate","Dicyclohexylamine","1,2,3-Trihydroxybenzene","2-butyl-4-hydroxy-5-methyl-3(2H)-furanone","Tetrahydrodipicolinate","L-Asparagine","N-Acetylsphinganine","Oleic acid","LysoPC(P-16:0/0:0)","1,1,1-Trifluorohenicosa-6,9,12,15-tetraene","5-hydroxyindole thiazolidine carboxylate","Tricyanmelamin","Pyranocyanin A","Tenuifolin","CMP-3-deoxy-D-manno-octulosonate","(6Z)-Pentadec-6-enoylcarnitine","CDP-DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))","beta-nicotinate D-ribonucleotide","(2-Carbamoyl-7-oxo-1,6-diazabicyclo[3.2.1]octan-6-yl) hydrogen sulfate","3-(4-Iodophenyl)-2-mercapto-(Z)-2-propenoic acid","Farnesol","(5Z,8Z)-1,5,8-Heptadecatriene","2-(2-Furanyl)-3,4,5,6-tetrahydropyridine","Bis-(4-methylumbelliferyl)phosphate","2-Chloro-N-[1-[(2R)-2,3-dihydroxypropyl]-2-oxo-3,4-dihydroquinolin-3-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide","PC(20:1(11Z)/18:3(6Z,9Z,12Z))","2,6-Dimethoxy-4-methylphenol","Ketoprofen","PG(i-22:0/18:1(12Z)-O(9S,10R))","beta-Cft","Octanal","Marcellomycin","Monepantel","Ampeloside Bs1","Olprinone","Diallyl 2,2'-oxydiethyl dicarbonate","Dioscoretine","Hexadecanedioic acid","3-Amino-1,4-dimethyl-5H-pyrido[4,3-b]indole","Pristanal","1,N6-Ethenoadenine","trans-Caffeic acid [apiosyl-(1->6)-glucosyl] ester","Midodrine","Deracoxib","2',3'-Dideoxyadenosine-5-triphosphate","4,4'-Thiobis-2-butanone","N-Docosahexaenoyl Leucine","Enecadin","Ibuproxam","Propionic acid, 2-methyl-2-((piperidinomethyl)thio)-","4-Anilinoquinazoline","3-ethoxy-1-propanol","2,2,7,7-Tetramethyl-1,6-dioxaspiro[4.4]nona-3,8-diene","5-O-Feruloylnigrumin","Isogentisin","11-nitro-1-undecene","Docarpamine","PC(14:0/20:1(11Z))","1-Acetyl-2-methylcyclopentene","Razaxaban","PA(P-16:0/18:1(12Z)-2OH(9,10))","4-(Aminosulfonyl)-7-fluoro-2,1,3-benzoxadiazole","L-Menthyl acetoacetate","Tryptophyl-Tryptophan","N-Dodecylsarcosinate","4'-Phosphopantothenoylcysteine","Heptaethylene glycol monododecyl ether","Glutaconylcarnitine","Arginyllysine","Phosphoribosyl pyrophosphate","Dexanabinol","5-Cholesten-3beta-25-diol-3-sulfate","Benzoic acid, 2-[3,6-bis(acetyloxy)-2,7-dichloro-9H-xanthen-9-yl]-","Carindone","6b-Hydroxy-8a-methoxy-7(11)-eremophilen-12,8-olide","Isatoribine","erythro-8,10-Pentatriacontanediol","Thelephoric acid","LysoPC(18:4(6Z,9Z,12Z,15Z)/0:0)","Mebeverine alcohol","EGFR Inhibitor","11-Hydroxy-9-tridecenoic acid","PC(18:1(9Z)/P-18:1(9Z))","PC(14:0/20:2(11Z,14Z))","(2S,5R)-3,3-Dimethyl-2-(2-phenylethyl)-4-thia-1-azabicyclo[3.2.0]heptan-7-one","4-Trimethylammoniobutanoic acid","2-Amino-3-fluoropropanoic acid","2,4,6-Triethyl-1,3,5-oxadithiane","(-)-Fumigaclavine B","PA(O-20:4(5Z,8Z,11Z,14Z)/2:0)","Veliparib","Tricosanoylglycine","Cysteinyl-Methionine","Tsibulin 1","9,12-Octadecadiene, (E,E)-","3-Dehydrocarnitine","Phenylalanylvaline","MG(20:3(6,8,11)-OH(5)/0:0/0:0)","Terguride","7-hydroxygranisetron","1,3-Difluoroacetone","Fluciclovine","Amantadine","LysoPC(18:1(11Z)/0:0)","Hexanesulfonic acid","13-HODE","5-Methylthioribose","CE(16:1(9Z))","Urocanic acid","Furanofukinin","4-ene-Valproic acid","[3-Methoxy-2-phosphonooxy-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl] dihydrogen phosphate","Methyl acrylate-divinylbenzene, completely hydrolyzed, copolymer","Dimethyltriazenoimidazole","Arginylhydroxyproline","Curcumenol","gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide","3,3'-Diaminobenzidine","Galactonic acid","beta-Tocopheryl quinone","DL-Ornithino-L-alanine","Azinphosmethyl oxon","Octadecanamide","Preparation 11","Cyclohexanone","N-acetylglutamyl-phosphate","Isopropylbenzene","Corrin","Vipadenant","Phenthoate","Glycerol triundecanoate","Carcinine","Amifloxacin","PE(20:0/PGF1alpha)","Pipercitine","MG(0:0/16:0/0:0)","DG(13:0/20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0)","N-(2-Hydroxypropyl)valine","Butanoic acid, [(diethoxyphosphinyl)oxy]methyl ester","Cyclamic acid","Dodecafluoropentane","3-Hydroxyhexanoylcarnitine","2-Phenylacetamide","Megazol","DG(15:0/18:1(12Z)-O(9S,10R)/0:0)","4-Hydroxystyrene","3-hydroxypristanic acid","4'-Hydroxyclobazam","Trifluridine","Hydroxy Tyrosol -Acetate","Gepotidacin","Arctinone A acetate","PC(18:2(9Z,12Z)/P-18:1(11Z))","N-[1-(2-Cyclopropylethyl)-6-fluoro-4-hydroxy-2-oxo-1,2-dihydroquinoline-3-carbonyl]glycine","Aacocf3","N-Desmethyl tapentadol","Floionolic acid","Carbetocin","Peonidin acetyl 3,5-diglucoside","N-Methylnicotinium","4-Amino-2-chlorobenzoic acid","2-Fluoropyrimidine","13(S)-Hydroperoxylinolenic acid","PS(16:1(9Z)/24:1(15Z))","(9Z,12Z,15Z)-3-Hydroxyoctadecatrienoylcarnitine","6-Thioxanthine","Morellinol","Calcium caprate","Digitoxigenin 3-[glucosyl-(1->6)-glucosyl-(1->4)-2,6-dideoxyribohexoside]","5-(4-Methylphenyl)-7-tert-butyl-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-d]pyrimidine-4-amine","Melleolide M","4H-1,3,2-Benzodioxaphosphorin, 2-(2-methylphenoxy)-, 2-oxide","N-(3-Methylbut-2-EN-1-YL)-9H-purin-6-amine","Metaphit","5,10-Pentadecadien-1-ol","Misoprostol","Pseudoephedrine","DG(15:0/18:3(6Z,9Z,12Z)/0:0)","Cadaverine","N,N-Bis(2-chloroethyl)aniline","Udenafil","2-Hydroxy-4-trifluoromethyl benzoic acid","2-Amino-3-methylimidazo[4,5-f]quinoline","2-Bromo-1H-indole-3-carboxaldehyde","Fluoromisonidazole","3-[(2-Benzyl-3-sulfanylpropanoyl)amino]propanoic acid","N-Benzylglucamine dithiocarbamate","Cefodizime","Acyclovir triphosphate","5-Acetylamino-6-amino-3-methyluracil","Phaeophorbide b","S-Oxide","3-Hydroxysuberic acid","3-(5,6,6-Trimethylbicyclo[2.2.1]hept-1-yl)cyclohexanol","Nicaraven","Norcotinine","1,11-Undecanedicarboxylic acid","5-Fluoromethylornithine","1-Phenylbiguanide","27-Deoxy-5b-cyprinol","o-(2-fluoroethyl)-l-tyrosine","Aminodeoxykanamycin","beta-Alanine","N-Linoleoyl GABA","triazolophthalazine","Netilmicin","DG(13:0/PGF1alpha/0:0)","Glucocleomin","Dolichosterone","Ciclopirox","[4-((1Z)-2-(Acetylamino)-3-{[1-(1,1'-biphenyl-4-ylmethyl)-2-oxoazepan-3-YL]amino}-3-oxoprop-1-enyl)-2-formylphenyl]acetic acid","N-Stearoyl Tryptophan","1R-cis-3,3,5-Trimethylcyclohexyl ester5-oxo-L-proline","5,6-Dihydroxyuracil","N-Acetylcochinol-O-phosphate","Fluocortolone caproate","SM(d18:2(4E,14Z)/14:0)","Isobutyl 10-undecenoate","Biguanide","7-Formyldehydrothalicsimidine","3-Hydroxy-1-phenyl-1-eicosanone","15-(3-Methyl-5-pentylfuran-2-yl)pentadecanoylcarnitine","4-Hydroxyproline","PA(8:0/17:0)","(S)-Hexahydropyrrolo[1,2-a]pyrazine-1,4-dione","Maleic acid homopolymer","Linoleamide","3a,6b,7a,12a-Tetrahydroxy-5b-cholanoic acid","1-Piperazinecarboxylic acid, 4-((3,4-dichlorophenyl)acetyl)-3-(1-pyrrolidinylmethyl)-, methyl ester, (3R)-","biliverdin-IX-alpha","Pentadecanoic acid","6''-O-alpha-D-Galactopyranosylciceritol","(S)-1-(Sec-Butyl)-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-methyl-6-(6-(piperazin-1-yl)pyridin-3-yl)-1H-indole-4-carboxamide","5-Aminopentanal","Serotonin","TG(18:0/22:4(7Z,10Z,13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))","PG(a-17:0/6 keto-PGF1alpha)","Tetraethylene glycol monododecyl ether","6-Fluoromevalonate","CPA(18:0/0:0)","Panaxatriol","N-Ethyl trans-2-cis-6-nonadienamide","Pipericine","LysoPC(18:3(6Z,9Z,12Z)/0:0)","N-Palmitoyl Arginine","Diethylhexyl adipate","4-Hydroxy-5-(3'-hydroxyphenyl)-valeric acid-3'-O-sulphate","(¡À)-Citronellyl acetate","3-(Methylsulfonyl)-2-oxoimidazolidine-1-carbonyl chloride","Aprobarbital","11Z-Eicosenoic acid","MG(20:3(8Z,11Z,14Z)-2OH(5,6)/0:0/0:0)","Guanosine 3'-diphosphate 5'-triphosphate","(4Z,7Z,10Z,13Z,15E,19Z)-17-Hydroxydocosa-4,7,10,13,15,19-hexaenoylcarnitine","2,3-Diaminopropionic acid","Oleoylcarnitine","PS(22:0/18:1(12Z)-O(9S,10R))","20-Oxo-leukotriene E4","Shyobunyl acetate","(E,E)-2,4-Decadienoic isobutylamide","Lactapiperanol C","psi-Pelletierine","Glycerol 2-(9Z,12Z-octadecadienoate) 1-hexadecanoate 3-O-[alpha-D-galactopyranosyl-(1->6)-beta-D-galactopyranoside]","D-Leucic acid","Arachidonoyl Serinol","Proterguride","1-Methyl-5-(4-benzoyl)pyrrole-2-acetic acid 2-(theophylline-7-yl)ethyl ester","(2R)-2-Hydroxy-2-methylbutanenitrile","Lupinic acid","5-(3-Methoxyphenyl)-3-(1-phenylethylamino)-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one","6-Hydroxyoct-2-enedioylcarnitine","Endalin","Betaxolol","Phenacemide","Benznidazole","Nevirapine","Thiopalmitic Acid","DG(2:0/20:3(6,8,11)-OH(5)/0:0)","PA(18:4(6Z,9Z,12Z,15Z)/PGJ2)","p-Cymene","Butyl (S)-3-hydroxybutyrate glucoside","N-Stearoyl GABA","Goshuyic acid","Imazamethabenz","1-Cycloheptyl-1-(9H-fluoren-2-ylmethyl)-3-(2,4,6-trimethylphenyl)urea","4-Hydroxycyclohexylcarboxylic acid","2-Hydroxybutyric acid","Cholylserine","DG(8:0/10:0/0:0)","Mometasone furoate","9-(Tetrahydrofuran-2-yl)-9h-purin-6-amine","Homocitrulline","Choline sulfate","MG(0:0/14:1(9Z)/0:0)","7-Aminomethyl-7-carbaguanine","3-O-cis-Coumaroylmaslinic acid","LysoPC(16:0/0:0)","Nicotinuric acid","Diisopropylphosphate","Ubiquinol 8","4alpha-carboxy-4beta,14alpha-dimethyl-9beta,19-cyclo-5alpha-ergost-24(241)-en-3beta-ol","ZINOSTATIN","N-Eicosapentaenoyl Isoleucine","Lidamidine","Proflavine","(2R,3S)-3-(6-Amino-9H-purin-9-yl)nonan-2-ol","Kynuramine","PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","1-(Hydroxymethyl)-5,5-dimethyl-2,4-imidazolidinedione","Heptyl 4-hydroxybenzoate","PG(20:1(11Z)/PGF2alpha)","Z-Lly-fmk","(2R,2'S)-Isobuteine","3-Oxo-4,6-choladienoic acid","2-Heptanone","Serylproline","5-(14-Nonadecenyl)-1,3-benzenediol","DG(8:0/18:1(12Z)-O(9S,10R)/0:0)","(E,E)-1,6-bis(4-methoxyphenyl)-1,5-hexadiene","Queuine","L-Methionine","PC(P-18:0/LTE4)","PA(16:1(9Z)/22:2(13Z,16Z))","Tetramethylrhodamine","Methyl 2-propenyl tetrasulfide","N-(3,5-Dichloropyrid-4-yl)-(1-(4-fluorobenzyl)-5-hydroxy-indole-3-yl)glyoxylic acid amide","Treosulfan","DG(13:0/18:2(10E,12Z)+=O(9)/0:0)","Oxytetracycline","Morniflumate","Mosin C","Pyroglutamic acid","4,6-Dimethyl-1-nitro-4-(trifluoromethyl)cyclohexene","PA(22:1(13Z)/19:2(10Z,13Z))","N-Acetyl-leukotriene E4","Sodium dodecanoate","BioMed 101","Ecdysone","Propofol","PC(20:1(11Z)/18:4(6Z,9Z,12Z,15Z))","(2E,8E)-10-hydroxydeca-2,8-dien-4-ynoyl-CoA","(2R)-1-(4-Iodophenyl)-N-propan-2-ylpropan-2-amine","Rilmenidine","4-Chloro-2-nitrobenzylalcohol","Ustiloxin D","Androsterone","Dihydrocurcumin","Fospropofol","1-[(5-Amino-5-carboxypentyl)amino]-1-deoxyfructose","1-Hydroxyphenanthrene","PA(18:1(11Z)/22:2(13Z,16Z))","Diethadione","3-Hydroxyisoheptanoic acid","Omadacycline","Lavoltidine","(1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime","5-Hydroxy-2-imino-1-methylimidazolidin-4-one","N-methylethanolamine phosphate","Chalcone","N-{(2R)-2-Hydroxy-2-[(8S,11S)-8-isopropyl-6,9-dioxo-2-oxa-7,10-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-YL]ethyl}-N-isopentylbenzenesulfonamide","4-(2,6-Dioxo-1-propyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-benzenesulfonic acid 4-nitro-phenyl ester","Malic acid","Ipomeatetrahydrofuran","3-Oxododecanoic acid","Aditoprim","1-Methylpiperidin-4-yl butanoate","(2s)-2-[6-(Sulfooxy)naphthalen-2-yl]propanoic acid","Didesethyl Chloroquine","Fenclofenac","3-Aminopropyl(diethoxymethyl)phosphinic acid","Oleoside dimethyl ester","Methyl jasmonate","Eplerenone","Furcelleran","Benzonitrile, 3-amino-4-((2-((dimethylamino)methyl)phenyl)thio)-","6-Dimethylaminopurine","Nonadecanoic acid","N,2,3-Trimethyl-2-(1-methylethyl)butanamide","S-Ethyl dipropylthiocarbamate","Chenodeoxycholyltyrosine","1-Phenyl-1-pentanone","Lirequinil","Acolbifene","Disialosyl galactosyl globoside","Thonzylamine","Oxonic Acid","ethyl 15-methoxy-12-oxo-2,4,11-triazatetracyclo[11.4.0.0^{2,6}.0^{7,11}]heptadeca-1(13),3,5,14,16-pentaene-5-carboxylate","Maclurin 3-C-(2''-galloyl-6''-p-hydroxybenzoyl-glucoside)","2-Isopropylphenyl methylcarbamate","2-Aminobenzoic acid","2-Carboxy-4-dodecanolide","Methioprim","Isopeonidin 3-rutinoside","Mifentidine","Carthamin","Cinnamyl cinnamate","(-)-alpha-Curcumene","Imazethapyr","Cer(d16:1/18:1(12Z)-2OH(9,10))","14,15-DiHETrE","O-Sulfotyrosine","Prostaglandin F1a","DG(14:1(9Z)/15:0/0:0)","Tridihexethyl","(3R,4R,5R)-3-Fluoro-5-(hydroxymethyl)oxolane-2,3,4-triol","Prenyl caproate","Tabun","Cer(d16:1/20:3(8Z,11Z,14Z)-2OH(5,6))","Domperidone","[(2-Hexylcyclopentylidene)amino]thiourea","Xestoaminol C","Magnesium myristate","LysoPA(0:0/18:2(9Z,12Z))","PA(a-25:0/18:1(12Z)-2OH(9,10))","L-Histidine","Acetylpuerarin","9-Octadecenal","(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid","(2E)-2-ethylidene-4-hydroxy-5-methyl-3(2H)-furanone","3[N-Morpholino]propane sulfonic acid","1-Benzenesulfonyl-5-ethyl-5-phenylhydantoin","4,8-Dimethylquinoline","S-Nitrosohomocysteine","N-VINYL-2-PYRROLIDONE","Cervonyl carnitine","Methylimidazole acetaldehyde","1-Benzoylpyrrolidine","Capryloylglycine","LysoPC(O-18:0/0:0)","DG(13:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)","Pibutidine","1,4-Undecadiene","Isoelemicin","Alectinib","PC(22:1(13Z)/24:1(15Z))","Congressane","4-Methylcatechol","12,13-DHOME","1-[[(Z)-[5-(Hydroxymethyl)indol-3-ylidene]methyl]amino]-2-pentylguanidine","Polyvidone","Longistylin C","SM(d18:1/15:0)","2-Phenyl-4-piperazin-1-yl-1H-benzimidazole","Proline betaine","((2-Amino-3-((2-amino-3-((carboxymethyl)amino)-3-oxopropyl)dithio)propanoyl)amino)acetic acid","Benzoyl peroxide","3-Iodo-alpha-methyl-l-tyrosine","2-Oxo-4-methylthiobutanoic acid","2-Pyridinemethanamine, N-((4-(1,4,8,11-tetraazacyclotetradec-1-ylmethyl)phenyl)methyl)-","[3-[(2R,6S)-2,6-Dimethylpiperidin-1-yl]-4H-oxadiazol-3-ium-5-ylidene]azanide","Zaldaride","3-Hydroxytamoxifen (Droloxifene)","Erucic acid","Carbenicillin indanyl","Tyrosyl-Aspartate","Tracheloside","(E,E)-2,4-heptadienal","PI(16:1(9Z)/18:1(9Z))","Indoleacetaldehyde","delta-Hexanolactone","8-Oxoguanine","24(28)-Dehydromakisterone","13-Docosenamide","Asunaprevir","(2xi,3xi)-2,3-Dihydroxy-12,18-ursadien-28-oic acid diacetate","Flurbiprofen","Phthalic acid","Niceritrol","Montecristin","S-(5-Acetamido-2-hydroxyphenyl)cysteine","Scymnol","Bis(2-ethylhexyl) hydrogen phosphate","Biapenem","Ornithine","Calcitriol phosphate","Retinal","Glutamylproline","2,2-Dichloro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrosophenyl)ethyl]acetamide","PC(16:1(9Z)/P-18:1(11Z))","PC(O-16:1(9Z)/20:0)","MG(0:0/18:1(9Z)/0:0)","Cimetidine sulfoxide","PA(8:0/13:0)","Neryl formate","5-Amino-1,3,4-thiadiazole-2-sulfonamide","Tridecanoic acid","Isorhamnetin 3-sulfate","2-Hydroxynevirapine","2',2'-Difluorodeoxyuridine","Spirostane-3,6-dione","Wyeronic acid","N-Lauroylglycine","o-(2,3,4,5,6-Pentafluorobenzyl)hydroxylamine","Nitrendipine","Heptadecanal","RESAZURIN","Persin","Neolinustatin","Dodecyl-beta-D-maltoside","5'-N-Ethylcarboxamidoadenosine","(6alpha)-hydroxycampestanol","3a,17a-Dihydroxy-5b-androstane","Methyleugenol","2-Octenedioic acid","2-[5-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxy-2-pyrrolylidene]indole","Docosa-4,7,10,13,16-pentaenoyl carnitine","3-Amino-4-(3-hexylphenylamino)-4-oxobutylphosphonic acid","Tetradecanedioic acid","4-Aminobutyraldehyde","Thioguanine","Ethacrynic acid","(4-Chlorophenyl) (1R)-6-chloro-1-(4-methoxyphenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate","Phenformin","5-Doxyl","(E)-4-Hepten-2-one","DG(15:0/20:4(6E,8Z,11Z,14Z)+=O(5)/0:0)","Bentazepam","Biphenyl","Vephylline","3'-DEOXY-3'-FLUOROTHYMIDINE","2-Ketobutyric acid","Docosadienoate (22:2n6)","Glucocorticoid receptor agonist","simvastatin hydroxy acid","5-Hydroxy-7,3',4'-trimethoxy-8-methylisoflavone 5-neohesperidoside","3-Hydroxyamino-4,6-dimethyldipyrido(1,2-a:3',2'-d)imidazole","L-cis-3-Amino-2-pyrrolidinecarboxylic acid","GDP-alpha-D-glucose","LysoPI(18:2(9Z,12Z)/0:0)","Tyrosine methylester","Acetaminophen","Flucytosine","Heptaminol","Cenisertib","Azastene","Pyrano(2,3-c)pyrazol-6(2H)-one, 3,4-dimethyl-2-(2-thienylmethyl)-","3-Hydroxyhippuric acid sulfate","Guanine","Imigliptin","Cer(d18:0/6 keto-PGF1alpha)","1-[(4-Aminophenyl)methyl]-3-(3-nitrophenyl)imidazo[4,5-b]pyridin-2-one","9-Azabicyclo[3.3.1]nonan-3-one","10,11-Dihydro-12R-hydroxy-leukotriene E4","CE(22:4(7Z,10Z,13Z,16Z))","Chlorin E6","1,2-Diacylglycerol-LD-PI-pool","Xanthosine","28-Hydroxyglycyrrhetic acid","N-Docosahexaenoyl Tryptophan","PA(8:0/18:1(12Z)-O(9S,10R))","8-Methylnonenoate","3-(N-n-Octadecylcarbamoyloxy)-2-methoxypropyl-2-thiazolinium ethyl phosphate","Imidazolidine","Behenoylglycine","PGP(a-21:0/20:3(6,8,11)-OH(5))","Lactarofulvene","1-(2-Thienyl)-1-butanone","LysoPA(20:2(11Z,14Z)/0:0)","Glycocholic acid","Zingerone","Lithocholyltaurine","Ilepatril","1-alkyl-2-acylglycerophosphoethanolamine","Genistein 4'-glucuronide-7-sulfate","Descyclopropyl Abacavir","N-Methyl-2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine","Tubastatin A","DG(13:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4)/0:0)","1,5-Dihydro-7-(1-piperidinyl)-imidazo(2,1-b)quinazolin-2(3H)-one","Glycerol phenylbutyrate","Cytosine-5-carboxylic acid","Lopirazepam","3-Sulfopropyl methacrylate","Verimol C","2-Amino-3,4-dimethylimidazo[4,5-f]quinoline","Dorzolamide","Bisphenol S","Ribalinium","7-Hydroxyflumequine","Acyclovir monophosphate","Bisphenol A","DG(13:0/20:3(6,8,11)-OH(5)/0:0)","Agomelatine","PA(a-25:0/18:1(12Z)-O(9S,10R))","2-Amino-3,4,8-trimethyl-3H-imidazo[4,5-f]quinoxaline","3beta-Acetoxy-11alpha-methoxy-12-ursen-28-oic acid","Iguratimod","1,2,3,4-Tetrahydro-beta-carboline","Vardenafil","Azimexon","Safrole","Histidylprolineamide","Mefluidide","Resiquimod","Pyridine N-oxide glucuronide","Tripropyl phosphate","2-Hydroxychlorpropamide","3,5-Diiodothyronine","4-(7-Hydroxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-ylamino)benzonitrile","O-Adipoylcarnitine","Dobutamine","Leucocrystal Violet","Triazophos","Tridodecylamine","L-3-Aminodihydro-2(3H)-furanone","Clorgiline","Tert-butyl (2-{7-[(2S)-3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]non-3-yl}ethyl)carbamate","Reduced ketanserin","Gluconasturtiin","DG(22:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)","Histidylproline diketopiperazine","gamma-CEHC glucuronide","Non-sulfonylurea","N-Nervonoyl Glycine","Darexaban glucuronide","5-(12-Heptadecenyl)-1,3-benzenediol","Tetracosahexaenoic acid","Tridecanoylglycine","3'-Amino-3'-deoxythimidine glucuronide","(E)-4,8-Dimethyl-1,3,7-nonatriene","DHAP(8:0)","2-Undecenal","Cyclovariegatin","Geranyl acetoacetate","(Z)-4-Hydroxy-6-dodecenoic acid lactone","PIP(16:2(9Z,12Z)/5-iso PGF2VI)","Nafenopin","PC(16:1(9Z)/P-18:0)","Diethyl tartrate","Stearaldehyde","trans-Jasmone","PA(18:4(6Z,9Z,12Z,15Z)/24:1(15Z))","DG(15:0/20:3(8Z,11Z,14Z)-2OH(5,6)/0:0)","Sodium dihydrogen citrate","Fasciculol C","N-Methyl-N-2-propynyl-1-indanamine, (S)-","Nialamide","Butenylcarnitine","Psora-4","Chondrocurine","Azapropazone","PG(18:1(11Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","Homofureanol","1,26-Hexacosanediol diferulate","Glycerylmonooleate","4-Hydroxymethylpyrazole","Monoethylhexyl phthalic acid","Triethanolamine","7-Methylhypoxanthine","Cholesterol glucuronide","24-Hydroxycholesterol","6,7-Dihydro-4-(hydroxymethyl)-2-(p-hydroxyphenethyl)-7-methyl-5H-2-pyrindinium","Rasagiline","Syk Inhibitor","gamma-Tocopherol","3-(2-(Benzoxazol-2-yl)ethyl)-5-ethyl-6-methylpyridin-2(1H)-one","2,2'-Anhydrocytidine","Cholesterol","Benzoylcarnitine","4-aminobenzoate","3-Methyldioxyindole","Valylmethionine","4,8 Dimethylnonanoyl carnitine","Entrectinib","Xanthoxylin","Madlongiside C","Epanolol","Iodotyrosine","Solanthrene","LysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)","(2S,3R,4R,5S,6S)-2-(Hydroxymethyl)-6-phenylmethoxyoxane-3,4,5-triol","4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-2-butanone","Sphingosine 1-phosphate","MG(0:0/19:0/0:0)","Alkergot","Behenic acid","Cholesterol sulfate","N-[(3a,5b,7b)-7-hydroxy-24-oxo-3-(sulfooxy)cholan-24-yl]-Glycine","DG(17:0/18:1(12Z)-O(9S,10R)/0:0)","Magnesium silicate (Mg2SiO4)","N-Methyl-N'-nitrosoguanidine","Ethosuximide","DG(20:2(11Z,14Z)/24:1(15Z)/0:0)","Pantetheine 4'-phosphate","Momordol","Ponasteroside A","2-Methyl-1-hydroxypropyl-ThPP","Simazine","1,2,5-Trimethyl-1H-pyrrole","Margaroylglycine","N-Nitrosocimetidine","Talampicillin","Quinagolida","(E)-1-O-Cinnamoyl-beta-D-glucose","Arachidonoylcholine","3-methoxy-4-hydroxy-5-all-trans-hexaprenylbenzoate","Paraxanthine","2-Amino-1,3-propanediol","Adrenic acid","Enterolactone","5-(4-Fluorophenyl)-3-(3-nitrophenyl)-1,2,4-oxadiazole","1-(2,2-Difluoroethyl)pyrrolidine-3,4-dicarboxylic acid","Halofenozide","2-Amino-4-hydroxy-6-pteridinecarboxylic acid","1-Cyano-2-hydroxy-3-butene","Phensuximide","Tezacitabine","Threonic acid","N-[(1S)-1-(Ethoxycarbonyl)-3-phenylpropyl]-L-alanyl-L-proline 3-nitrooxypropyl ester","(-)-Nopol","geranate","Cis-stilbene oxide","Glutamylaspartic acid","Heptadecanoic acid","5'-Carboxy-alpha-chromanol","Norepinephrine","Dimethylglycine","Corchorifatty acid F","Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-isothiocyanato-","Varanic acid","Palmitoylglycine","4-(4-Hydroxyphenyl)-2-butanone O-[2-galloyl-6-cinnamoylglucoside]","Lumogallion","6-Methyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide","Bardoxolone","Indanidine","LysoPE(0:0/22:1(13Z))","16-Hydroxyhexadecanoic acid","DG(21:0/PGF1alpha/0:0)","7Z,10Z-Hexadecadienoic acid","2-Cyclohexen-1-one, 3-(15-hydroxypentadecyl)-2,4,4-trimethyl-","3,4-Methylenesebacic acid","Phylloquinol","Campesterol glucoside","Aminoparathion","AS 1-5","3-Oxodecanoic acid","Phenylbutazone","PC(20:3(5Z,8Z,11Z)/P-18:1(11Z))","N-Formyl-L-methionine","BENZYDAMINE","Edetate disodium","24,24-Dfhv","TRIBUTYLAMINE","Trombodipine","Withanolide A","(2R)-1-(4-Nonylphenyl)propan-2-amine","Withanolide B","Glycerophosphocholine","4-Hydroxy-3-methoxy-2,10-bisaboladien-9-one","N-ethyl-2-(4-fluorophenyl)-1,3-benzoxazol-5-amine","2,3-Dihydro-5H-oxazolo(3,2-a)thieno(3,2-d)pyrimidin-5-one","4-(4-Methylcyclohexyl)-4-oxobutanoic acid","Buspirone N-oxide","cephamycin C","Bullatanocin","PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(6E,8Z,11Z,14Z)+=O(5))","PA(21:0/PGF1alpha)","Tetrahydrodeoxycortisol","3-Methyl-alpha-ionyl acetate","SM(d19:0/20:4(6E,8Z,11Z,14Z)+=O(5))","Chlorohaloperidol","2,4-dinitrophenyl-S-glutathione","Sophoramine","L-Glutamine","Coprocholic acid","Cerivastatin lactone","3,4-Methyleneazelaic acid","2-((3-Aminopyridin-2-yl)methylene)hydrazinecarbothioamide","9E-Heptadecenoic acid","Peridinin","Tromethamine","5-Hexyl-2-methylpyridine","5-(1-Propynyl)-5'-vinyl-2,2'-bithiophene","2-Hexenoylcarnitine","PG(18:1(11Z)/LTE4)","1-Methyl-4-(1-methyl-2-propenyl)-benzene","N-((1,2,3,5,6,7-Hexahydro-s-indacen-4-yl)carbamoyl)-4-(2-hydroxypropan-2-yl)furan-2-sulfonamide","LIPEGFILGRASTIM","Aplaviroc","DG(15:0/20:4(5Z,8Z,11Z,14Z)/0:0)","11-Hydroxyeicosatetraenoate glyceryl ester","Lyciumoside VIII","(2xi,3xi,6E)-3,7-Dimethyl-6-octene-1,2,3,8-tetrol","Ile-Ile-Ala-Glu-Lys","Phosalone","Adosterol (incomplete stereochemistry)","alpha-Santalyl acetate","2,4-Dichlorophenyl-p-nitrophenyl ether","17alpha,21-Dihydroxypregnenolone","Methyl 6-O-galloyl-beta-D-glucopyranoside","PA(18:3(6Z,9Z,12Z)/20:4(6E,8Z,11Z,14Z)+=O(5))","Mipafox","Glyceryl behenate","DG(8:0/8:0/0:0)","p-Cresol","1-(2-(4-(3-Phenyl-2H-1-benzopyran-2-yl)phenoxy)ethyl)piperidine","LysoPC(P-18:0/0:0)","Dihydralazine","Di-deacetyl adrogolide","Metaxalone","2-Aminoethane-1,1,1-triol","2',7'-Bis-(2-carboxyethyl)-6-carboxyfluorescein","Homodihydrojasmone","Flosequinan","Pregnanetriol","MG(0:0/18:3(9Z,12Z,15Z)/0:0)","1,2,4-Benzotriazin-3-amine 1-oxide","alpha-Irone","Calcium stearoyl 2-lactylate","Vinylacetylglycine","Theasapogenol A","Cystemustine","5-Hydroxytryptophol sulfate","5-Aminopentanamide","Chlorthal-dimethyl","1H-Imidazole-1-ethanol, 2-nitro-alpha-((2,2,2-trifluoro-1-(trifluoromethyl)ethoxy)methyl)-","(2-Acetyloxy-3-hydroxypropyl) (E)-octadec-9-enoate","Tridecanedioylcarnitine","8-Hydroxyluteolin 8-glucoside 3'-sulfate","Androstenol","SM(d18:1/16:1(9Z))","BENAZOLIN","DG(18:0/20:4(5Z,8Z,11Z,14Z)/0:0)","Lucyobroside","8-nonenoylglycine","triazolobenzodiazepine","1,2-Didecanoyl-sn-glycero-3-phosphocholine","Phenol","hypocrellin a","2-Methylbutyroylcarnitine","2-((3-Aminopropyl)amino)ethanethiol","Labienoxime","L-Monomenthyl glutarate","6''-O-Malonyldaidzin","(2R,3S,4R,5R,6S)-2-[[(1R,2R,4R,5R,6S,10R)-5-Hydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","Octanoylglucuronide","PGF2a ethanolamide","exo-Dehydrochalepin","(E)-8-(2-(4-(Diphenylamino)benzylidene)hydrazinyl)-N-hydroxy-8-oxooctanamide","alpha-Methylstyrene","Ezutromid","Pinotin A aglycone","4-Ethylphenol","Cyanoimipramine","(2-Amino-2-oxoethyl)phosphinous acid","N-Propionylprocainamide","13,14-Dihydro PGF-1a","1-Methyl-4-(1-methylpropyl)-benzene","Adenylylselenate","Sodium palmitate","Miglitol","8-Hydroxy-5,6-octadienoic acid","Astilbin","Calcium benzoate","LysoPC(18:0/0:0)","PS(18:1(11Z)/24:1(15Z))","alpha-Terpineol","DG(13:0/PGF2alpha/0:0)","Dictyostelium","PC(18:3(6Z,9Z,12Z)/P-18:1(11Z))","Dioxinoacrimarine A","(S)-Rutaretin","9-Anthryldiazomethane","2-Amino-3-methyl-1-butanol","4-Pyridoxic acid","Phosphoramide mustard","20-HETE ethanolamide","4-Trimethylaminobutyraldehyde","1-acyl-PAF","N-({(1s,2r)-2-[(S)-[(1r)-1-{[(Benzyloxy)carbonyl]amino}-2-Phenylethyl](Hydroxy)phosphoryl]cyclopentyl}carbonyl)-L-Tryptophan","(Z)-7-[(1R,4S,5R,6R)-5-[(E,3S)-3-Hydroxyoct-1-enyl]-2,3-diazabicyclo[2.2.1]hept-2-en-6-yl]hept-5-enoic acid","N-Acetyltryptamine","Starch, pregelatinized","Mesotrione","2-Amino-3-(3-fluoro-4,5-dihydroxyphenyl)propanoic acid","13-Heptadecyn-1-ol","Tetradecanoylcarnitine","Formetanate","PC(22:2(13Z,16Z)/22:5(4Z,7Z,10Z,13Z,16Z))","Encelin","Polyporusterone A","Biliverdin","2-((2-((Dimethylamino)methyl)phenyl)thio)-5-iodophenylamine","3-(2-Hydroxy-1-methyl-2-nitrosohydrazino)-N-methyl-1-propanamine","Pirprofen","6-Bromo-L-tryptophan","TG(18:2(9Z,12Z)/18:2(9Z,12Z)/18:2(9Z,12Z))","Propyl 1-(propylthio)propyl disulfide","1-dodecanoyl-glycero-3-phosphate","Uridine","beta-Sinensal","LysoPC(20:3(5Z,8Z,11Z)/0:0)","Serylglycine","3-hydroxydecanoyl carnitine","2,3-Epoxymenaquinone","Cervonoyl ethanolamide","Propiconazole","Imidazole-4-acetaldehyde","All-trans-13,14-dihydroretinol","Dapiprazole","phosphonoacetaldehyde","4-(3-Hydroxybutyl)-3,3,5-trimethylcyclohexanone","7-Ethyl-5,6-dihydro-1,4-dimethylazulene","8-(3,4-Dimethoxyphenyl)-7-methyl-1,3-dipropyl-1H-purine-2,6(3H,7H)-dione","[5-[2,4-Bis((3S)-3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-methoxyphenyl]methanol","Vitamin E Nicotinate","PA(14:1(9Z)/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S))","Sorbitan palmitate","6-Fluoropyridoxol","2-Chloroquinoline","n-octylimidazole","1,2-Dichloroethane","N-Methyltryptamine","LysoPE(0:0/15:0)","Desmethylxanthohumol","Indanone","Progoitrin","MG(0:0/16:1(9Z)/0:0)","Bis(ethylphenyl)ether","SM(d17:2(4E,8Z)/18:2(10E,12Z)+=O(9))","Arginyl-glycyl-glutamyl-serine","L-Tyrosine","Obtustyrene","Hypotaurine","27-Nor-5b-cholestane-3a,7a,12a,24,25-pentol","Thioproline","2-O-Methyl-L-fucose","Chembl4238926","2-Fluorobutyl 2-(8-azabicyclo[3.2.1]octan-1-yl)-5-iodobenzoate","N-[2-(4-Prenyloxyphenyl)ethyl]tiglamide","Monosodium glutamate","MITOGUAZONE","CCR4 Antagonist","2,2':6',2''-Terpyridine","Taurocholic acid","Sorbitan laurate","Ajoene","2-Isopropylmalic acid","4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanone","1-(1-Propenylthio)propyl propyl disulfide","2,5-Dimethoxy-4-ethylphenethylamine","Butofilolol","Myricetin 7-(6''-galloylglucoside)","Imidafenacin","(1S-Endo)-5-(4-Chloro-3-methylphenyl)-1-((4-methylphenyl)methyl)-N-(1,3,3-trimethylbicyclo(2.2.1)hept-2-yl)-1H-pyrazole-3-carboxamide","Para-Iodoamphetamine","Fagomine","k-252b","N(6)-Methyllysine","1,6,7-Trimethylnaphthalene","Gibberellin A60","N-Nervonoyl Asparagine","Minaprine","Ethyl maltol","(S)-[8]-Gingerol","4-(Hydroxymethyl)benzenediazonium(1+)","Oxacillin","2,6-Diaminopurine","Astromicin","2-(a-Hydroxyethyl)thiamine diphosphate","1-O-Hexadecyl-sn-glycero-3-phosphocholine","4-[(4-Aminophenyl)(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-methylaniline","5-Hydroxypentanoic acid","Juzirine","N-Acetylleucine","(2S)-2-[[(2S)-2-[[(2S)-2-Amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid","3-O-Methylglycyrol","LysoPC(20:1(11Z)/0:0)","2-Amino-9-(4-amino-2-oxopyrimidin-1-yl)-1H-purin-6-one","1-docosene","N-Ethylguanidine","Dirlotapide","Hexaethylene glycol","N-ethylmaleimide","Deoxycholic acid 3-glucuronide","Osmundalactone","2-((2-Methoxy-2-(3-(trifluoromethyl)phenyl)ethyl)amino)ethyl 4-(2-(2-(9H-fluoren-9-yl)acetamido)ethyl)benzoate","Bilirubin","SM(d19:1/LTE4)","1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide","10,20-Dihydroxyeicosanoic acid","PA(18:4(6Z,9Z,12Z,15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))","DG(13:0/22:6(5Z,8E,10Z,13Z,15E,19Z)-2OH(7S, 17S)/0:0)","2-[(4-{2-[(4-Cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid","5-Fluorouridine","Besipirdine","Hexadecasphingosine","5-[4-Phenyl-5-(trifluoromethyl)-2-thienyl]-3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole","ITX-5061 free base","Triton X 100","N-(4-Methoxybenzyl)-N'-(5-nitro-1,3-thiazol-2-YL)urea","Hericenone A","Cer(d18:1/18:1(12Z)-2OH(9,10))","PC(20:0/18:1(12Z)-O(9S,10R))","2-Heptadecylfuran","Flupentixol decanoate","Atorvastatin","Tryptophol","Pyridostigmine","N-(4-Nitroanilino)-N-(2,2,4,4-tetramethyl-3H-thiochromen-6-yl)methanethioamide","L-Lysine","1,2-Naphthalenedicarboxaldehyde","1-Methyl-6-phenyl-1H-imidazo[4,5-b]pyridin-2-amine","Vecuronium","Syndesine","Cysteinyl-Proline","(2R)-5-(Diaminomethylideneamino)-2-[[2,2-di(phenyl)acetyl]amino]-N-[(4-hydroxyphenyl)methyl]pentanamide","N-Docosahexaenoyl Arginine","desmethylclomipramine","Thymol","6-Nitroquipazine","Dodecanoic acid","Dexelvucitabine","LysoPE(P-18:0/0:0)","Prenyl cis-caffeate","Phenethyl rutinoside","3-Hydroxynorvaline","3-beta-Hydroxy-4-beta-methyl-5-alpha-cholest-7-ene-4-alpha-carboxylate","Phosphatidylglycerol","S-(Allylthio)-L-cysteine","Diisopropyl methylphosphonate","6-(4-(2,2-Di(4-Fluorophenyl)ethylamino)-1-piperidinyl)-N,N'-di-2-propenyl-1,3,5-triazine-2,4-diamine","7,8-Dihydroneopterin","8-Hydroxy-4(6)-lactarene-5,14-diol","N-Acetyl-DL-phenylalanine beta-naphthyl ester","Metoprolol","3-Pentadecylphenol","2,2'-Azobis(4-methoxy-2,4-dimethylvaleronitrile)","Tomentosic acid","5-Tricosyl-1,3-benzenediol","(2'E,4'Z,7'Z,8E)-Colnelenic acid","1-(1-Methylethenyl)-4-(1-methylethyl)benzene","(3beta,17alpha,23S,24S)-17,23-Epoxy-3,24,29-trihydroxy-27-norlanost-8-en-15-one","Flunitrazepam","Xanthohumol","PC(O-16:0/22:0)","PC(16:1(9Z)/16:1(9Z))","Bis(methylsulfonylmethyl) disulfide","Delphinidin 3-glucoside","LysoPI(20:4(5Z,8Z,11Z,14Z)/0:0)","Gardiquimod","PC(20:0/18:3(6Z,9Z,12Z))","1-Ethylpiperidine","N-Lactoyl ethanolamine phosphate","PA(10:0/20:5(7Z,9Z,11E,13E,17Z)-3OH(5,6,15))","4-Hydroxy-2-butenoic acid gamma-lactone","N-(4-Sulfophenyl)adenosine","Kynurenic acid","Magnesium octanoate","5-Fluoro-8-hydroxy-2-(dipropylamino)tetralin","Hydroxystilbamidine","alpha-Ketoisovaleric acid","Porphobilinogen","Hydroxyhomo Sildenafil","Benzo[c]phenanthridine","3-Gonal","Glycolipids","Estazolam","Albiflorin","HMBOA trihexose","2-Amino-3,8-dimethyl-3H-imidazo[4,5-f]quinoxaline","L-Histidinol","Gabapentin","Ricinoleic acid","Celastrol","(+)-2-Amino-7-phosphonoheptanoic acid","N-Desmethylaminopyrine","Diethylene glycol dimethacrylate","5-Nonyltetrahydro-2-oxo-3-furancarboxylic acid","Neuromedin N","1-Acetoxy-2-hydroxy-16-heptadecyn-4-one","2-trans,-6-trans-farnesyl monophosphate","Dihydrozeatin","Artocarbene","N-Dealkylated derivative","DI(Hydroxyethyl)ether","Berotralstat","Melanin","Pinacidil","N-(5-((4-(1H-Indol-3-yl)pyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide","Spermine dialdehyde","TG(20:1(11Z)/20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))","Adhumulinic acid","1-Piperidinyloxy, 4-(((dodecyloxy)hydroxyphosphinyl)oxy)-2,2,6,6-tetramethyl-","Bisindolylmaleimide i","Barringtogenol C","Glutathione monoisopropyl ester","6-Ketomyristic acid","Murametide","(E)-4-[5-(4-Hydroxyphenoxy)-3-penten-1-ynyl]phenol","Lenticin","(9S,10S)-9,10-dihydroxyoctadecanoate","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))","2-Aminopropane-1,3-dithiol","Sepiapterin","2-(5,8-Tetradecadienyl)cyclobutanone","LysoPC(18:2(9Z,12Z)/0:0)","Apigeninidin","Germacrenone","Temozolomide","Psilocybine","Linamarin","Abietane","NPC","3-O-beta-D-glucosyl-brassicasterol","4-Bis(2-hydroxyethyl)amino-L-phenylalanine","Heme A","Islatravir","Sulcatone","Nnal-N-oxide","Galactosylsphingosine","De-O-methylsimmondsin","LysoPA(8:0/0:0)","N-Desmethyldoxepin","N6,N6,N6-Trimethyl-L-lysine","Methyl 1-(1-propenylthio)propyl disulfide","6-Methyl-3,5-heptadien-2-one","Dofequidar","Brevifolincarboxylic acid","Echothiophate","Inosine 2',3'-cyclic phosphate","2-Chloro-1-(chloromethyl)ethyl carbamate","2,6-Diamino-4-hydroxy-5-N-methylformamidopyrimidine","Apabetalone","6-Phenyl-3-hexen-2-one","3-Carboxy-1-hydroxypropylthiamine diphosphate","Butyl-(2,5-dimethyl-7-(2,4,6-trimethylphenyl)-7H-pyrrolo(2,3-d)pyrimidin-4-yl)ethylamine","Dibutyl disulfide","Ganoderiol C","Cyclohexanecarboxamide, N-(2-((ethylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-","1,1-Diethyl-2-hydroxy-3-oxotriazane","Arctic acid C","UDP-alpha-D-xylose","Prodan","Indolophenanthridine","Desmethylmianserin","Bopindolol","(¡À)-(Z)-2-(5-Tetradecenyl)cyclobutanone","xI-Dihydro-2-methyl-3(2H)-thiophenone","Hydroxypropionylcarnitine","Heptaethylene glycol","3-Eicosyne","(S)-Verimol F","O-Demethyl apixaban","Cer(t18:0/5-iso PGF2VI)","PS(20:3(5Z,8Z,11Z)/22:5(4Z,7Z,10Z,13Z,16Z))","Talipexole","Antipyrine","Sphinganine 1-phosphate","Cinnamyl benzoate","Methyl dihydrojasmonate","LysoPI(18:0/0:0)","PC(20:4(5Z,8Z,11Z,14Z)/16:0)","Aurasperone D","PC(18:0/22:6(5Z,7Z,10Z,13Z,16Z,19Z)-OH(4))","MG(20:4(6Z,8E,10E,14Z)-2OH(5S,12R)/0:0/0:0)","Desacetyl-nitazoxanide","Carboxyfluorescein diacetate","Chavicol","4-Fluorocyclohexane-1-carboxylic acid","Derenofylline","N-(1-Deoxy-1-fructosyl)histidine","Dodecanedioic acid","(R)-6-(3-Methylpiperazin-1-yl)nicotinonitrile","Antazoline","Gingerol","1-Methylnaphthalene","Bis(5-hydroxynoracronycine)","lamotrigine-2-N-glucuronide","Hexadecenal","Orotic acid","Flumazenil","1H-Pyrrole-2,5-dione, 3-(1-methyl-1h-indol-3-yl)-4-(1-methyl-6-nitro-1h-indol-3-yl)-","Isopropyl-beta-D-thiogalactopyranoside","DHAP(18:0)","3-(10-Heptadecenyl)phenol","Cer(d16:1/5-iso PGF2VI)","N-Methylcalystegine C1","Aristolochic acid B","PS(18:0/PGF2alpha)","(1R,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione","PE(22:0/P-18:0)","N-(N-(3-Carboxyoxirane-2-carbonyl)leucyl)isoamylamine","3-Methyl-3H-imidazo[4,5-f]quinoxalin-2-amine","O-(17-Carboxyheptadecanoyl)carnitine","Lauroyl peroxide","beta-Damascenone","Formononetin 7-(2-p-hydroxybenzoylglucoside)","Fluorapacin","1-Pyrimidinylpiperazine","Calcium myristate","Loxapine","Methionine sulfoxide","17a-Ethynylestradiol","Delphinidin 3-lathyroside 5-(6-acetylglucoside)","Cyclohexyl Methylphosphonate","Prolyl-Threonine","Dihomo-gamma-linolenic acid","4-Hydroxy-3-(3-methyl-2-butenyl)acetophenone","Methylpyrogallol sulfate 3","Azelaic acid","3-Isobutyl-1-methylxanthine","Imidazolepropionic acid","Tributylphosphine","5-Iodo-2'-deoxyuridine triphosphate","FIC","Avocadene","2-(2-Methoxyethoxy)ethanol","xi-1-Ethoxy-1-butoxyethane","3',4'-Dihydrodiol","3-Fluoro-2-oxopropanoic acid","Nifuratel","ZANOTERONE","1,2-Dihydronaphthalene","Ethyl (E)-3-diethoxyphosphanylsulfinyloxybut-2-enoate","DG(13:0/20:3(5Z,8Z,11Z)-O(14R,15S)/0:0)","Dihydroethidium","N-Hydroxy phip","3-Oxohexadecanoic acid","(24E)-3alpha-Acetoxy-15alpha-hydroxy-23-oxo-7,9(11),24-lanostatrien-26-oic acid"],"additional_accession":[]},"is_claimable":false,"name":"Plasma metabolomic and lipidomic signatures characteristic of treatment non-response in rheumatoid arthritis","description":"Objectives: This study aimed to investigate plasma metabolomic and lipidomic profiles in rheumatoid arthritis (RA) to identify potential biomarkers for distinguishing treatment responses.
Methods: Plasma samples were collected from 106 RA patients and 10 healthy controls, with 30 RA samples selected based on predefined inclusion criteria. Using liquid chromatography–mass spectrometry (LC-MS)-based untargeted metabolomics and lipidomics analysis, a total of 2,279 metabolites and 2,987 lipids were systematically identified.
Results: Through rigorous statistical evaluation (variable importance in the projection (VIP) > 1 and false discovery rate (FDR) < 0.05), 22 metabolites and lipids were found to be positively associated with RA risk based on logistic regression analysis. These were further refined into 12 core features using least absolute shrinkage and selection operator (LASSO) regression. The 12 core features identified in the treatment non-response group included lipids Cer(d18:1/16:0), PS(16:0/20:0), and Palmitic acid; metabolites Mimosine and D-Xylose; drug-related metabolites Dihydralazine, Tridihexethyl, Acyclovir monophosphate, Indoline, and Melleolide; and pollution-related metabolites Norcotinine and 2-Chloro-1-(chloromethyl)ethyl carbamate. Machine learning models utilizing these features demonstrated robust discriminatory performance, achieving area under the curve (AUC) values exceeding 0.90, validating the efficacy of these biomarkers in differentiating treatment-responsive from non-responsive RA patients. Additionally, the identified features showed significant correlations with high disease activity, enabling differentiation across various stages of disease progression.
Conclusion: The findings reveal significant metabolic and lipidomic alterations in RA and highlight the identified biomarkers as effective indicators of treatment responses and potential therapeutic targets.
","dates":{"publication":"2026-06-02","submission":"2025-10-30"},"accession":"MTBLS13238","cross_references":{"HMDB":["HMDB0249241","HMDB0000207","HMDB0060015","HMDB0000827","HMDB0031046","HMDB0059853","HMDB0000220","HMDB0000673","HMDB0000150","HMDB0029047","HMDB0000122","HMDB0003533","HMDB0011552","HMDB0000321","HMDB0247056","HMDB0011553","HMDB0244746","HMDB0000549","HMDB0000929","HMDB0001231","HMDB0002259","HMDB0001429","HMDB0242136","HMDB0037839","HMDB0060478","HMDB0000062","HMDB0254992","HMDB0248624","HMDB0246984","HMDB0257251","HMDB0012815","HMDB0041535","HMDB0033757","HMDB0060868","HMDB0249593","HMDB0037338","HMDB0000206","HMDB0000300","HMDB0256575","HMDB0246643","HMDB0030669","HMDB0246693","HMDB0000086","HMDB0029052","HMDB0250889","HMDB0000128","HMDB0258910","HMDB0251422","HMDB0000162","HMDB0304061","HMDB0014404","HMDB0003072","HMDB0005765","HMDB0001016","HMDB0243858","HMDB0249913","HMDB0029955","HMDB0243655","HMDB0038663","HMDB0245966","HMDB0000943","HMDB0015547","HMDB0039035","HMDB0255868","HMDB0033040","HMDB0248104","HMDB0000005","HMDB0246945","HMDB0032523","HMDB0246204","HMDB0029915","HMDB0001167","HMDB0006853","HMDB0032330","HMDB0032914","HMDB0256252","HMDB0303239","HMDB0010724","HMDB0032303","HMDB0006478","HMDB0255194","HMDB0001470","HMDB0014730","HMDB0243970","HMDB0001539","HMDB0041797","HMDB0014026","HMDB0059607","HMDB0035177","HMDB0012245","HMDB0241810","HMDB0041541","HMDB0244869","HMDB0000656","HMDB0028739","HMDB0028829","HMDB0040347","HMDB0003484","HMDB0244326","HMDB0258978","HMDB0000212","HMDB0240650","HMDB0029048","HMDB0003572","HMDB0029387","HMDB0253472","HMDB0029437","HMDB0031346","HMDB0257676","HMDB0001448","HMDB0000639","HMDB0001494","HMDB0001297","HMDB0303430","HMDB0031682","HMDB0041802","HMDB0000157","HMDB0006240","HMDB0253951","HMDB0242543","HMDB0000251","HMDB0254505","HMDB0032744","HMDB0246780","HMDB0013125","HMDB0013593","HMDB0255309","HMDB0036394","HMDB0014634","HMDB0000098","HMDB0034113","HMDB0247423","HMDB0303771","HMDB0011727","HMDB0244121","HMDB0000510","HMDB0000092","HMDB0060902","HMDB0304552","HMDB0033822","HMDB0000904","HMDB0000172","HMDB0001122","HMDB0246022","HMDB0000174","HMDB0033789","HMDB0251245","HMDB0029968","HMDB0000870","HMDB0033112","HMDB0012209","HMDB0029752","HMDB0257198","HMDB0028891","HMDB0259883","HMDB0000058","HMDB0000123","HMDB0003045","HMDB0000453","HMDB0011659","HMDB0253002","HMDB0252055","HMDB0249266","HMDB0032332","HMDB0248738","HMDB0248115","HMDB0257768","HMDB0033100","HMDB0247656","HMDB0248809","HMDB0248599","HMDB0304884","HMDB0001117","HMDB0034301","HMDB0244883","HMDB0000168","HMDB0010715","HMDB0000205","HMDB0001859","HMDB0256147","HMDB0304122","HMDB0000462","HMDB0248486","HMDB0250094","HMDB0255912","HMDB0029579","HMDB0251252","HMDB0255240","HMDB0060244","HMDB0037759","HMDB0001106","HMDB0033952","HMDB0000883","HMDB0015344","HMDB0000562","HMDB0015188","HMDB0256329","HMDB0041188","HMDB0303558","HMDB0029275","HMDB0029855","HMDB0254209","HMDB0243956","HMDB0252977","HMDB0303330","HMDB0244895","HMDB0256323","HMDB0260123","HMDB0001096","HMDB0061711","HMDB0001014","HMDB0243493","HMDB0244184","HMDB0254603","HMDB0245173","HMDB0003361","HMDB0251350","HMDB0031532","HMDB0001377","HMDB0245860","HMDB0245465","HMDB0004101","HMDB0031004","HMDB0252002","HMDB0240288","HMDB0240280","HMDB0250755","HMDB0000670","HMDB0251499","HMDB0251202","HMDB0244780","HMDB0246008","HMDB0060363","HMDB0251565","HMDB0259207","HMDB0002207","HMDB0301880","HMDB0029643","HMDB0006954","HMDB0255015","HMDB0246362","HMDB0249982","HMDB0000517","HMDB0040241","HMDB0254635","HMDB0259734","HMDB0041120","HMDB0246305","HMDB0015190","HMDB0250350","HMDB0245298","HMDB0243986","HMDB0245431","HMDB0257746","HMDB0014824","HMDB0253134","HMDB0256331","HMDB0252413","HMDB0244040","HMDB0256313","HMDB0303659","HMDB0014672","HMDB0060397","HMDB0060449","HMDB0256326","HMDB0251204","HMDB0252412","HMDB0303548","HMDB0246222","HMDB0256332","HMDB0015320","HMDB0245048","HMDB0246988","HMDB0303432","HMDB0039459","HMDB0014118","HMDB0255059","HMDB0246244","HMDB0255366","HMDB0252943","HMDB0243849","HMDB0028695","HMDB0007019","HMDB0031396","HMDB0294933","HMDB0071165","HMDB0253785","HMDB0007016","HMDB0000469","HMDB0000828","HMDB0041833","HMDB0000691","HMDB0001993","HMDB0001419","HMDB0028890","HMDB0001488","HMDB0002195","HMDB0030151","HMDB0034381","HMDB0006227","HMDB0301751","HMDB0003822","HMDB0001893","HMDB0011662","HMDB0033091","HMDB0302040","HMDB0250681","HMDB0041023","HMDB0006070","HMDB0002639","HMDB0000513","HMDB0062452","HMDB0001492","HMDB0038485","HMDB0245027","HMDB0034430","HMDB0007077","HMDB0031050","HMDB0034507","HMDB0031031","HMDB0029300","HMDB0029645","HMDB0032347","HMDB0014607","HMDB0035887","HMDB0013622","HMDB0039805","HMDB0030014","HMDB0040920","HMDB0030956","HMDB0036153","HMDB0304225","HMDB0029458","HMDB0002823","HMDB0031007","HMDB0007038","HMDB0000031","HMDB0000077","HMDB0244429","HMDB0245542","HMDB0037390","HMDB0002231","HMDB0041333","HMDB0071246","HMDB0062656","HMDB0256758","HMDB0035075","HMDB0000383","HMDB00003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