which was developed using R and based on XCMS, for feature detection, extraction, alignment, and integration. The R package and the BiotreeDB(V3.0) were applied in metabolite identification.
"],"repository":["MetaboLights"],"study_status":["Public"],"ptm_modification":[""],"instrument_platform":["Liquid Chromatography MS - positive - hilic","Liquid Chromatography MS - negative - hilic"],"chromatography_protocol":["For polar metabolites, LC-MS/MS analyses were performed using an UHPLC system (Vanquish, Thermo Fisher Scientific) with a Waters ACQUITY UPLC BEH Amide (2.1 mm × 50 mm, 1.7 μm) coupled to Orbitrap Exploris 120 mass spectrometer (Orbitrap MS, Thermo). The mobile phase consisted of (A) water containing 25 mmol/L ammonium acetate and 25 mmol/L ammonium hydroxide (pH 9.75) and (B) acetonitrile. The auto-sampler temperature was 4 ℃, and the injection volume was 2 μL.
"],"publication":["Spirulina Alleviates Functional Constipation by Remodeling Gut Microbiota and Fecal Metabolites: A Metagenomic and Metabolomic Study."],"submitter_name":["Daya Zhang"],"submitter_affiliation":["Hainan medical university"],"organism_part":["feces"],"technology_type":["mass spectrometry assay"],"disease":[""],"extraction_protocol":["Then the mixed samples were homogenized (35 Hz,4 min) and sonicated for 5 min in 4 ℃ water bath, the step repeat for three times. The samples were incubated for 1 h at -40 ℃ to precipitate proteins. Then the samples ware centrifuged at 12000 rpm (RCF=13800(×g),R= 8.6cm) for 15 min at 4 ℃. The supernatant was transferred to a fresh glass vial for analysis. The quality control (QC) sample was prepared by mixing an equal aliquot of the supernatant of samples.
"],"organism":["Homo sapiens"],"full_dataset_link":["https://www.ebi.ac.uk/metabolights/MTBLS15871"],"author":["Daya Zhang. Hainan medical university. 875025464@qq.com."],"data_transformation_protocol":["The raw data were converted to the mzXML format using ProteoWizard and processed with an in-house program.
"],"study_factor":["Group"],"submitter_email":["875025464@qq.com"],"sample_collection_protocol":["The samples (25 mg±1 mg) were taken, mixed with beads and 500 μL of extraction solution (MeOH:ACN:H2O, 2:2:1 (v/v)). The extraction solution contain deuterated internal standards. The mixed solution were vortexed for 30 s.
"],"omics_type":["Metabolomics"],"study_design":["Thermo Scientific Vanquish UHPLC System","Metabolomics","ProteoWizard msconvert","Spirulina","Functional constipation","untargeted analysis","Gut Microbiota","Thermo Scientific Orbitrap Exploris 120","Fecal Metabolites","Homo sapiens","feces"],"curator_keywords":["Thermo Scientific Vanquish UHPLC System","Metabolomics","ProteoWizard msconvert","Spirulina","Functional constipation","untargeted analysis","Gut Microbiota","Thermo Scientific Orbitrap Exploris 120","Fecal Metabolites","Homo sapiens","feces"],"mass_spectrometry_protocol":["The Orbitrap Exploris 120 mass spectrometer was used for its ability to acquire MS/MS spectra on information-dependent acquisition (IDA) mode in the control of the acquisition software (Xcalibur, Thermo). In this mode, the acquisition software continuously evaluates the full scan MS spectrum. The ESI source conditions were set as following:sheath gas flow rate as 50 Arb, Aux gas flow rate as 15 Arb, capillary
temperature 320 ℃, full MS resolution as 60000, MS/MS resolution as 15000, collision energy: SNCE 20/30/40, spray voltage as 3.8 kV (positive) or -3.4 kV (negative), respectively.
"],"metabolite_name":["(2R)-2-amino-3-hydrosulfonylpropanoic acid","3,6-Dioxo-5alpha-cholan-24-oic acid","Prostaglandin G2","4'-Hydroxy-2-(methylamino)acetophenone","Pyrocatechol","3-(6-sulfo-alpha-quinovosyl)-sn-glycerol","4-(4'-Methyl-[2,2'-bipyridin]-4-yl)butanoic acid","2-Amino-3,7-dideoxy-threo-hept-6-ulosonic acid","2-Keto-3-deoxygluconic acid","2-amino-5-ethyl-6-methylpyrimidin-4(3H)-one","Dacarbazine","n,n'-Dihydroxyoctanediamide","4-Cresol sulfate","2-Decyl-3-hydroxypentanedioic acid","Tiliroside","1-(3,4-Dihydroxyphenyl)-6,7-dihydroxy-1,2-dihydronaphthalene-2,3-dicarboxylic acid","Val-Met","Platycodigenin","L-Isoleucyl-L-threonine","6-Thiouric acid","Ketoleucine","1-(5-chloro-1H-1,3-benzodiazol-2-yl)ethan-1-ol","4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3,3-dimethyl-7-oxo-, (2S,5R,6R)-","2,3-Dinor-TXB2","Methyl 3-(4-Methyl-2,5-dioxo-4-imidazolidinyl)propanoate","Citrulline","2-[[2-[(2-Amino-3-hydroxybutanoyl)amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid","Glycolate","Capric acid","Gly-Gly-Leu","(2S,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-6-methyl-2,3-dihydrochromen-4-one","cis-?9,?10-?Epoxystearic acid","2-Sulfotrehalose","Indigo","3-(4-bromophenyl)-7-hydroxy-4H-chromen-4-one","Benzenesulfonamide, N-(2-methylpropyl)-3-nitro-","N-(7,8-Dimethoxy-2-oxochromen-3-YL)-4A,5,8-trihydroxy-N-methyl-4,5,8,8A-tetrahydro-1,2-benzoxazine-3-carboxamide","4-Hydroxybenzaldehyde","Podophyllotoxin, glucoside","N2-Acetylornithine","6-nitro-2,3,4,9-tetrahydro-1H-carbazole","N-Citryl-spermidine","Phomopsin A","Morpholine, 4-((4-hydroxy-3,5-dimethoxyphenyl)thioxomethyl)-","(2S)-4-amino-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoic acid","[7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2-hydroxy-4-methoxy-6-methylbenzoate","Mevalonic acid","3-(3,4-dimethoxyphenyl)-6-hydroxy-4-methyl-2H-chromen-2-one","Arginine","[(2S,3R,4R,5S,6S)-3,5-dihydroxy-2-[[(1S,2S,4S,5S,6R,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-6-methyloxan-4-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","3,5-Dihydroxy-2-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one","2-Hydroxyimino-4-methylnitrosamino-1-(3-pyridyl)-1-butanone","Hydroferulic acid","Corymbiferin","FMN","2,7-Dihydroxy-4-trifluoromethylquinoline","AFP-07 free acid","16-Oxopalmitate","3-(2-Hydroxyphenyl)propanoic acid","methyl 4,10-diacetyloxy-5-hydroxy-1,4a-dimethyl-9-oxo-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthrene-1-carboxylate","2-(6-Hydroxyhexyl)-3-methylidenebutanedioic acid","3-hydroxynonanoyl carnitine","2,3-Quinolinedicarboxylic acid","5-Hydroxyhexanoic acid","N-Acetylneuraminic acid","Pantothenic acid","4,10-Dihydro-3,7,8-trihydroxy-3-methyl-10-oxo-1H,3H-pyrano(4,3-b)(1)benzopyran-9-carboxylic acid","2-Propylglutaric acid","Hygric acid","3-cyclohexyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one","Penicillic Acid","cis-2-tert-Butoxycarbonylamino-2-methyl-cyclohexanecarboxylic acid","Allolithocholic acid","(E)-5-[4-(carboxymethyl)-4-methoxycarbonyl-3-methyl-6-methylidene-2-oxo-3a,5,7,7a-tetrahydro-3H-1-benzofuran-5-yl]-3-methylpent-2-enoic acid","(3S,6R,12S)-6-benzyl-3-butan-2-yl-9-(6,7-dihydroxyoctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","Leu-Val","Taurohyodeoxycholic acid","6-Ethylmercaptopurine","Kaempferol 3,7,4'-trimethyl ether","Saccharin","3-Methyl-2-(3-methylbutanamido)butanoic acid","Trp-Ile","Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid","Acetylglycine","Kanamycin","Vanillic acid","Phe-Gly","1,5-Isoquinolinediol","Phthalic acid","10-Ethyl-2-propyl-6,14-dioxatricyclo[10.3.0.04,8]pentadeca-1(12),4(8)-diene-5,7,13,15-tetrone","N-(2-Oxo-2,3-Dihydro-1h-Benzimidazol-5-Yl)glycinamide","Homoveratric acid","Benzenesulfonic acid, 3-amino-4-methyl-","3-Dehydroquinic acid","Acetonitrile, (purin-6-ylthio)-","2-[3-(4-Oxo-1,2,3-benzotriazin-3-yl)propanoylamino]acetic acid","2-Phenyllactic acid","Docosapentaenoic acid (DPA)","6-Amino-1-benzyl-5-methylaminouracil","4,5-Dihydroxyphthalic acid","4-Methylsalicylic acid","1-(9Z-Nonadecenoyl)-glycero-3-phosphoethanolamine","4-Acetamidobutyric acid","(1R,8S,9S)-3,4-dihydroxy-8-methoxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one","H-Gly-Pro-Arg-Pro-NH2","Serine","5-Phenylisoxazol-3-ol","cis-11.14-Eicosadienoic acid","methyl 2-(7-hydroxy-11-methyl-2,9-dioxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6-trien-13-yl)acetate","(S)-3,5-Dihydroxyphenylglycine","Dihydroxyoctadecanoic acid","Corchoionoside B","[(2R,3S,4S,5R,6R)-6-[1,7-bis(4-hydroxyphenyl)-5-oxoheptan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate","Phe-Thr","Phenylsulfate","3,7-Dimethyluric acid","(4E,6E)-2,7-dimethyl-8-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyocta-4,6-dienoic acid","(E)-5-(4-methoxy-5-methyl-6-oxopyran-2-yl)-3-methylhex-4-enoic acid","Isocitric acid","Gln-Asp","5,7-Dihydroxy-2-(4-hydroxy-3-methoxy-phenyl)-3,6,8-trimethoxy-chromen-4-one","Bisindolylmaleimide VIII (acetate)","6,6'-Dihydroxy-5,5'-dimethoxybiphenyl-3,3'-dicarboxylic acid","Tetradecyl sulfate (sodium)","5-ketocaproate","3-[2-hydroxy-7-(2-hydroxypropan-2-yl)-9b-methoxycarbonyl-2,3a,6,9a-tetramethyl-4-methylidene-1,3-dioxo-5a,7,8,9-tetrahydro-5H-cyclopenta[a]naphthalen-6-yl]propanoic acid","3-Ketopetromyzonol sulfate","Purpurein","3-methylolphenol","1-Amino-9,10-dihydro-9,10-dioxo-4-(phenylamino)-2-anthracenesulfonic acid","1-methyl-7,8,9,10-tetrahydro-6H-purino[8,7-b][1,3]thiazocine-2,4-dione","N-(5-chloropyridin-2-yl)-5-propylthiophene-3-carboxamide","4-nitrophenol","Orantinib","(1z)-1-(3-Ethyl-5-Hydroxy-1,3-Benzothiazol-2(3h)-Ylidene)propan-2-One","1-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide","{[5-(2-Furyl)-4h-1,2,4-triazol-3-yl]sulfanyl}acetic acid","2-[3-[(E)-6-acetyloxy-2-hydroxy-6-methyl-3-oxohept-4-en-2-yl]-6-(carboxymethyl)-2-hydroxy-3a,5a,9b-trimethyl-5-oxo-2,3,4,6,9,9a-hexahydro-1H-cyclopenta[a]naphthalen-7-yl]-2-methylpropanoic acid","Pro-Ile","Linoleic acid","3-Hydroxytetradecanedioic acid","Cyclopropylacetic acid","2-(Benzoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid","N-Acetylmuramic acid","Glycylprolylhydroxyproline","(2S)-5-amino-2-[[(2R)-2-amino-3-methylbutanoyl]amino]-5-oxopentanoic acid","Lithocholic acid 3-sulfate","PGlu-3-methyl-His-Pro-NH2","methyl 6,18-dimethoxy-17-(3,4,5-trimethoxybenzoyl)oxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate","Benzoic acid","3-Sulfamoylbenzoic acid","2-(2-Formyl-4-methoxyphenoxy)acetic acid","Methylsuccinic acid","Elemonic acid","Traumatic acid","(2S,3S)-2-[[(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoate","6-(3-Chlorobenzylamino)purine","Glycolithocholic acid 3-sulfate","N-Desmethylverapamil","O-Acetylserine","6-Benzyl-3-butan-2-yl-9-(7-hydroxy-6-oxooctyl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone","Merodesmosine","(2R)-6-Oxo-2-piperidinecarboxylic acid","2-{[2-(Methoxycarbonyl)phenyl]carbamoyl}benzoic acid","Xylonate","(3R,5R)-7-[(1S,2R,3R,8S,8aR)-3-hydroxy-2-methyl-8-[(2S)-2-methylbutanoyl]oxy-1,2,3,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","6-[2-[[5-[4-[3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-3,5-dihydroxyoxan-2-yl]oxy-3,4-dihydroxyoxan-2-yl]oxymethyl]-6-hydroxy-4-methylphenoxy]-3-(1-hydroxy-3-methylbutyl)-2-methoxybenzoic acid","sn-Glycero-3-phosphoethanolamine","3-methyl-2-[[3,4,5,6-tetrahydroxy-2-oxohexylidene]amino]butanoate","S-Decyl GSH","Sclerketide D","(E)-2-methyl-6-(4,4,8,10,14-pentamethyl-3-oxo-5,6,7,15,16,17-hexahydrocyclopenta[a]phenanthren-17-yl)hept-2-enoic acid","3-(3-Chlorophenyl)imidazolidine-2,4-dione","1-Carboxycyclohexaneacetic acid","2-Ketobutyric acid","Isodeoxycholic acid","Bonactin","2-[5-[2-[2-[5-(2-Hydroxypropyl)oxolan-2-yl]propanoyloxy]propyl]oxolan-2-yl]propanoic acid","3-Amino-2-hydroxyheptanoic acid","6-Hydroxy-1,3-benzoxathiol-2-one","1-formyl-L-proline","Valeric acid","Acesulfame","(2S)-1-[5-(3-methyl-2H-indazol-5-yl)pyridin-3-yl]oxy-3-phenylpropan-2-amine","Nitrofurazone","Santonox","Lysine","Butyllactate","1H-imidazole-4,5-dicarbohydrazide","Deoxypyridoxine","Steviolbioside","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(1R)-4-(3-hydroxybutyl)-3,5,5-trimethylcyclohex-3-en-1-yl]oxyoxan-2-yl]methoxy]oxane-3,4,5-triol","methyl 3-acetyloxy-16-hydroxy-10-(hydroxymethyl)-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate","2-Dec-9-enylpentanedioic acid","Trehalose","2-Methylbutyrylglycine","1-benzyl-5-chloro-1H-1,3-benzodiazole-2-thiol","Z-Harpagoside","Lys-Asn","(S)-3-amino-2-methylpropanoic acid","Ethyl 3-(N-butylacetamido)propionate","3-((Ethylphenylamino)methyl)benzenesulfonic acid","(2S)-2-[[(2R)-2-amino-4-carboxybutanoyl]amino]-4-methylpentanoic acid","5-(1H-indol-3-ylmethylidene)-1,3-diazinane-2,4,6-trione","rel-4-[[(4R,5S)-4,5-Bis(4-(trifluoromethyl)phenyl)-4,5-dihydro-2-[4-methoxy-2-(1-methylethoxy)phenyl]-1H-imidazol-1-yl]carbonyl]-2-piperazinone","N-Acetylphenylalanine","Xanthosine","3-Methyl-2-oxovaleric acid","(3Z)-3-[[5-(2-methylbut-3-en-2-yl)-1H-imidazol-4-yl]methylidene]-6-propan-2-ylpiperazine-2,5-dione","5,7,3',4'-Tetrahydroxy-3,6,8-trimethoxyflavone","Desaminotyrosine","1-[3-(Acetylsulfanyl)propanoyl]-6-methyl-2-piperidinecarboxylic acid","Citric acid","Mannose 1-phosphate","Glycylleucine","Lys-Arg","7-Methylguanine","cis-9-Palmitoleic acid","3-Hydroxy-3-methyloxindole","tert-butyl 3-[(2S,5S,8S)-14-methoxy-2-(2-methylpropyl)-4,7-dioxo-3,6,17-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),11,13,15-tetraen-5-yl]propanoate","2-16:1-lysophosphatidylglycerol","Umckalin","1-[(Furan-2-yl)methyl]-5-oxopyrrolidine-3-carboxylic acid","9-Methoxycarbonyldec-9-enoic acid","3,5-Dihydroxyphenyl beta-D-glucopyranoside","(2S,3S)-2-[[(2R)-2-aminopropanoyl]amino]-3-methylpentanoic acid","Medicagenic acid","Tauroursodeoxycholic acid","3-(3,5-dihydroxyphenyl)-1-propanoic acid sulphate","(3-oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid","Glycocholic acid","Benzenesulfonamide, 4-methyl-N-[4-(phenylamino)phenyl]-","3-(3-Carboxypropanamido)benzoic acid","Phe-Val","Pseudolaric Acid B","4,5-Dimethoxy-1H-isoindole-1,3(2H)-dione","Ethanesulfonic acid","Ilomastat","2'-Deoxyuridine","3-[(5aS,9R,9aR)-7-hydroxy-8-(2-hydroxypropan-2-yl)-11-methoxy-4,5a,9-trimethyl-1-oxo-3,6,7,8,9a,10-hexahydro-[2]benzofuro[5,6-b]chromen-9-yl]propanoic acid","Vanilloylglycine","Indole-3-carboxaldehyde","Stearic acid","4-Hydroxydecanoic acid","Ethyl 4-hydroxybenzoate","O-Methylthreonine","2-[2,6-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2-hydroxyacetic acid","2,5-Dioxo-1-pyrrolidineacetic acid","Oxalosuccinate","Ala-Asp","m-(Trifluoromethyl)cinnamic acid","N-Methyl-L-asparagine","3-[(E)-2-[2-chloro-4-[[3-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]phenyl]ethenyl]benzoic acid","Hydroquinone","Glycyl-Threonine","1-Acetylpiperidine-4-carboxylic acid","7H-pyrrolo[3,2-f]quinazoline-1,3-diamine","Unii-73hdp58zfk","Bisphenol C","(E)-7-(4-methoxy-5-methyl-6-oxopyran-2-yl)-5-methyloct-6-enoic acid","Garcinone D","8-Daucene-2,4,6-triol, O-(4-Hydroxybenzoyl), 2-Ac","MES","8-Cyclopentyltheophylline","3-[(4-Aminoquinazolin-2-yl)amino]phenol","(1-Hydroxycyclohexyl)acetic acid","Sibiricose A3","Glyoxylic acid","Acetildenafil","5-[4-[(E)-3-carboxy-3-hydroxyprop-1-enyl]-4-hydroxy-3,3,5-trimethylcyclohexyl]oxy-3-hydroxy-3-methyl-5-oxopentanoic acid","2-Hydroxy-3-oxoadipate","N-(4-Thiazolin-2-ylidene)benzenesulfonamide","1-linoleoyl-sn-glycero-3-phospho-(1'-sn-glycerol)","5-Methylhexanoic acid","Nabilone","3-[(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-4-oxo-2,3-dihydropyrano[2,3-h]chromen-6-yl]hexanoic acid","2-[4-[(2-phenyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]pyrimidine","3-Pyrrolidineacetic acid, 2-carboxy-4-(1-methylethenyl)-","3-(4-hydroxy-5-oxo-3-phenyl-2H-furan-2-yl)propanoic acid","(+-)-Mercaptosuccinic acid","Dehydrocurvularin","2',4',6'-Trihydroxyacetophenone","(2E,4E)-N-[2-(4-hydroxyphenyl)ethyl]dodeca-2,4-dienamide","N-(2-benzamido-1,3-benzothiazol-6-yl)adamantane-1-carboxamide","Benzamide, N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxy-","Resveratrol triacetate","2-Amino-5-chlorophenol","2-[(2R,4aS,8S,8aS)-8-[2-[(4aS,7R,8aR)-7-(1-carboxyethenyl)-1-hydroxy-4a-methyl-2-oxo-6,7,8,8a-tetrahydro-5H-naphthalen-1-yl]ethyl]-4a-methyl-7-oxo-1,2,3,4,8,8a-hexahydronaphthalen-2-yl]prop-2-enoic acid","4-Hydroxybenzyl alcohol","Tryptophanyl-glutamine","Thymine","Biocytin","5-Hydroxyisophthalic acid","[2-(1H-tetrazol-5-yl)phenoxy]acetic acid","4-acetamido-5-[2-(4-hydroxyphenyl)ethylamino]-5-oxopentanoic acid","Stercobilin","2-Hydroxyglutaric acid","tetradecanedioate","4-Hydroxyisoleucine","Goshonoside F5","Arthrobactin","Dimethylbarbituric acid","Sarcosine","4-Hydroxyphenylacetic acid","8,9-Dihydro-8-(1-hydroxy-1-methylethyl)-2H-furo[2,3-h]-1-benzopyran-2-one","Glycylphenylalanylleucylglycine","4-Hydroxyphenylglycolic acid","16-Hydroxypalmitic acid","7-(4-Methoxyphenyl)-2,4-pteridinediol","Taurine","5-(2-Nitrophenyl)-2-furoic acid","8-Hydroxypinoresinol 4'-glucoside","4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine","Hesperetin 7-neohesperidoside","LPG(18:1(9Z))","2-(2-Butoxyethoxy)acetic acid","5-Methyl-2-oxo-1,3-oxazolidine-4-carboxylic acid","2-Aminonicotinic acid","Probucol","Mannose 6-phosphate","Bucharidine","Maltobionate","2-((2-Hydroxy-3-methylbutanoyl)amino)-4-methylpentanoic acid","19-Noretiocholanolone glucuronide","D-ribofuranose","1-Methyl-1,2,3,4-tetrahydro-beta-carboline-3-carboxylic acid","methyl 2-(7-hydroxy-2-oxo-2H-chromen-4-yl)acetate","2-Isobutyl-1,3-dioxo-5-isoindolinecarboxylic acid","Cholenate","5-Hydroxyindole-3-acetic acid","Cholic acid 7-sulfate","2-(Prop-2-enamido)butanedioic acid","Apocholic acid","6-Nitro-3,4-dihydro-1,2,3-benzotriazin-4-one","6-Nitro-2-(2-pyridyl)benzimidazole","(2R)-2-[[(2R)-2-azaniumyl-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoate","Helvolic Acid","Ganoderic acid B","Ganoderic acid A","trans-Vaccenic acid","3-(1H-benzimidazol-2-yl)propanehydrazide","2,3,6,8-Tetrahydroxy-1-methylxanthone","cis-11-Eicosenoic acid","2-Oct-7-enylpentanedioic acid","Undecanoic acid","2',3-Dihydroxy-4,4',6'-trimethoxychalcone","2-Hydroxy-6-chloroquinoxaline","2-(carboxymethyl)oxirane-2,3-dicarboxylic Acid","N-[2-(4-Oxo-1-phenyl-1,3,8-triazaspiro[4.5]decan-8-yl)ethyl]naphthalene-2-carboxamide","Penicillin G","5-(4-fluoro-3-nitrophenyl)-2H-tetrazole","Fructose 1-phosphate","N-Acetylglutamine","Alternariol","3-Hydroxyvaleric acid","Butyrolactone 3","Val-Ile","2-Aminobutyric acid","gamma-Glu-epsilon-Lys dizwitterion","Gentisic acid","Dehydrolithocholic acid","2-[(4-Hydroxyphenyl)methyl]-3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-2H-furan-5-one","9-Hydroxynonanoic acid","6-(pyrrolidin-1-yl)-9H-purine","2-[5-[2-[2-[5-(2-Hydroxybutyl)oxolan-2-yl]propanoyloxy]butyl]oxolan-2-yl]propanoic acid","Asp-Cys","Methyl 2-(4,5-dihydroxy-6-methoxy-3,6-dimethyl-2-oxocyclohex-3-en-1-yl)oxy-4-hydroxy-3,6-dimethylbenzoate","1,2-Benzenediol, 4-(((3S,4R)-4-(4-fluorophenyl)-3-piperidinyl)methoxy)-","(E,3R,5S)-7-[(6R,8S)-8-acetyloxy-2,6-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl]-3,5-dihydroxyhept-6-enoic acid","3,5-Dimethoxycinnamic acid","N-Acetyl-beta-alanine","11'-Carboxy-alpha-chromanol","Lauryl sulfate","(2S)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]pentanedioic acid","4-[3-methyl-5-(5,6,7-trihydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)pentoxy]-4-oxobutanoic acid","2-Benzamido-4-methylpentanoic acid","Thionalide","Monoethyl fumarate","Eplerenone hydroxyacid","delta(17)-6-Ketoprostaglandin F1alpha","Xanthoxylin","Uracil","Geshoidin","11-Dehydrocorticosterone","[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 3,6-dihydroxy-4-methoxy-2-methylbenzoate","3-[(Triphenylmethyl)sulfanyl]propanoic acid","(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5S,6R)-4,5-Dihydroxy-6-(hydroxymethyl)-2-(3-hydroxy-6-methylheptoxy)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol","Amisulpride","p-Hydroxybenzoylecgonine","1alpha-Methyl-5alpha-androstan-3alpha-ol-17-one glucuronide","1-Cyclohexyl-1-methyl-3-phenyl-2-thiourea","3-methoxy-5-methyl-4-nitro-1H-pyrazole","3-[[4-(4-Oxidanylidene-3h-Quinazolin-2-Yl)phenyl]methyl]imidazolidine-2,4-Dione","5-Aminolevulinic acid","Caprylic acid","2-[1-[4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]indol-3-yl]acetic acid","(4E,8E,12E,16E)-2,3,7,11,15-pentahydroxy-4,6,8,10,12,14,16-heptamethyloctadeca-4,8,12,16-tetraenoic acid","Hemiphloin","Ferulate","2-[(2E,6E,10Z)-14,15-dihydroxy-11-(hydroxymethyl)-3,7,15-trimethylhexadeca-2,6,10-trienyl]-2,4,6,9-tetrahydroxy-5,7-dimethylphenalene-1,3-dione","2,3-Pentanedione","methyl 3-acetyloxy-10-formyl-16-hydroxy-4,4,8,12,13,16-hexamethyl-15,17-dioxo-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-14-carboxylate","cis-4,10,13,16-Docosatetraenoic Acid","¦Â-Boswellic acid","(3-Oxopiperazin-2-yl)acetic acid","6-Chloro-1,4-dihydro-2,3-quinoxalinedione","Rubranoside A","3H-Imidazo[4,5-c]pyridine, 2-(2-pyridinyl)-","(9Z,12E)-15,16-Dihydroxyoctadeca-9,12-dienoic acid","7,8-Dihydroxyflavone","N-[(2r,3r)-3-Amino-2-Hydroxy-4-Phenylbutanoyl]-L-Leucine","N-Acetylglycylglycine","Cerasidin","4-Aminothiane-4-carboxylic acid","Oxalic acid","Pregnenolone sulfate","2-Bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol","(2S)-4-amino-4-oxo-2-[[(2S)-pyrrolidin-1-ium-2-carbonyl]amino]butanoate","Isorhodoptilometrin","Adipic acid","N-lactoyl-Tryptophan","methyl 4-(7H-purin-6-ylamino)benzoate","alpha-Neup5Ac-(2->6)-D-Galp","Ethanone, 1-(2,4-dihydroxyphenyl)-2-(4-fluorophenoxy)-","Enterolactone","N-[(4-hydroxy-2-iodo-5-methoxyphenyl)methyl]-8-methylnonanamide","3-hydroxybenzaldehyde","1-Palmitoyllysophosphatidate","L-Lysine-L-valine","N-Eicosapentaenoyl Glutamic acid","4-[2-[[4-[[2-[(2-Acetamido-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]-3-hydroxy-6-methylheptanoyl]amino]propanoylamino]-3,7-dihydroxy-6-methylheptanoic acid","6-Hydroxy-4-pyrimidinone","Val-Val","Trachelosperogenin A1","2-(3-Nitrobenzoylamino)benzoic acid","LPC(13:0)","Homovanillic acid","Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate","Lovastatin Acid","PG(20:4/20:4)","1-(alpha-linolenoyl)-sn-glycero-3-phosphoethanolamine","Olmesartan","cis-8,11,14-Eicosatrienoic acid","Hexacyclinic acid","Isoleucine","5,5,5-Trifluoro-DL-norvaline","11-Deoxy-pgf2alpha","4-Ketopimelic acid","Glycerol 2-phosphate","Arachidonic acid (AA)","methyl 9H-purine-6-carboxylate","6-Acetamidohexanoic acid","Pyruvate","3,4-Methyleneadipic acid","N-Lactoyl-Phenylalanine","Vanitiolide","3-(3-Oxobutanoyloxy)butanoic acid","Epi-dihydrophaseic acid","(2S,3S,4S,5R,6S)-6-[4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","Fructose","1,2-Ethylenediphosphonic Acid","Heptadecanoic acid","Citraconic acid","4-(dimethylamino)butanoate","Dimethylglycine","Glutamine","3-Hydroxyphenylacetic acid","1-[(Z)-but-2-en-2-yl]-3,9-dihydroxy-4,7-dimethylbenzo[b][1,4]benzodioxepin-6-one","Caproic acid","Palmitic acid","Chitobiose","5-Carboxycytosine","p-Cresol glucuronide","Cis-3,4',5-trimethoxy-3'-hydroxystilbene","(RS)-AMPA (monohydrate)","9Z-Octadecenoic acid, (2S)-3-[(hydroxymercaptophosphinyl)oxy]-2-methoxypropyl ester","Methanethiosulfonate","3-p-Coumaroylquinic acid","1,3,6,8-Tetrahydroxy-2-[(1S)-1-methoxyhexyl]anthracene-9,10-dione","Saccharopine","2-Amino-6-mercaptopyridine-3,5-dicarbonitrile","Homoeriodictyol","12-Ketochenodeoxycholic acid","(4R)-4-amino-5-[[(1R)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid","2,3,4,5-Tetrahydrodipicolinate","Propionic acid","Lonicerin","Glyco-beta-muricholic acid","9,11,12a-Trihydroxy-2,3-dimethoxy-8-(3-methylbut-2-enyl)-6,6a-dihydrochromeno[3,4-b]chromen-12-one","Gly-Val","(2E,6E,10E,14S)-14-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,6,10,14-tetramethylhexadeca-2,6,10,15-tetraenoic acid","2-[(E)-2,6-dihydroxy-6-methylhept-4-en-2-yl]-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-carboxylic acid","3-(5-methoxy-1H-indol-3-yl)propanoic acid","Ser-Ala","Docosahexaenoic acid (DHA)","Leonubiastrin","(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(6-hydroxy-2,6,10,10-tetramethyl-1-oxaspiro[4.5]decan-8-yl)oxy]oxane-3,4,5-triol","Hexylitaconic acid mono methyl ester","2-chloro-N-(1H-1,2,4-triazol-3-yl)acetamide","4-Vinylphenol","Antcin K","Methyl 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-3,5-dihydroxybenzoate","L-histidyl-L-leucine","[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[2-(4-hydroxyphenyl)ethoxy]oxan-2-yl]methyl 2-(2-oxo-1,3-dihydroindol-3-yl)acetate","2,3-Dinor-8-iso prostaglandin F1alpha","L-alpha-Glutamyl-L-aspartic acid","3-Methylglutaric acid","Royal jelly acid","2-(Aminomethyl)-4-methylpentanoic acid","Formylmethionine","1,2-Dihexadecanoyl-sn-glycero-3-phosphoserine","4-Hydroxy-benzoic acid 2-morpholin-4-yl-ethyl ester","Acetyl-maltose","1,6-Bis-O-(4-hydroxycinnamoyl)glucose","Echinocystic acid","Thr-Leu","1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol","4-Oxosebacic Acid","10,16-Dihydroxyhexadecanoic acid","Tyr-Cys","2,6-Di-tert-butylphenol","2-Aminobenzenesulfonic acid","Benzenesulphonamide","8-Methyltheophylline","Hydroxyphenyllactic acid","1,1-Dioxo-1lambda6-thiolane-3-carboxylic acid","Salicylic acid","Alanine","1-[2-Hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)-1H-indole-5-carboxylic acid","2-palmitoyl-trehalose","N-Acetylhistidine","Levulinic acid","N-(3-hydroxybutanoyl)-homoserine","(6E,12E)-8,9,16,18-tetrahydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,12,15,17-pentaen-2-one","AB-PINACA pentanoic acid metabolite","Xanthine","2,3-Dihydroxy-4-methoxybenzoic acid","Fructose 6-phosphate","ADB-PINACA pentanoic acid metabolite","5-Fluoro-MN-24","3-Chloro-1H-indazole","1-Stearoylglycerophosphoserine","4-Oxobutanoic acid","Cholic acid/Muricholic acid, tryptophan-conjugated","Leucylphenylalanine","Benzenesulfono-o-toluidide","4-Methylpiperidine-2-carboxylic acid","3,5,7-Trihydroxy-3',4',5'-trimethoxyflavone","D-erythro-L-Talo-octono-1,4-lactone","Triapine","(2S)-2-[[(2R)-2,5-diamino-5-oxopentanoyl]amino]pentanedioic acid","Alisol C 23-acetate","6-(5-Bromo-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrile","Tyrosyl-proline","3-(2,5-Dioxopyrrolidin-1-yl)propanoic acid","3-Hydroxypyruvic acid","4-Nitroquinoline 1-Oxide","2-chloro-N-(2-hydroxyphenyl)pyridine-3-carboxamide","Methyl 2-[2,6-bis(oxidanyl)phenyl]carbonyl-5-methyl-3-oxidanyl-benzoate","7-Methylxanthine","Isobutyrylglycine","6,9alpha-Methylene-11alpha-hydroxy-15,16,17,18,19,20-hexanor-14-(1-hydroxycyclohexyl)-prost-5E-en-13-yn-1-oic acid","3-Amino-4-methylpentanoic acid","2',4',6'-Trihydroxydihydrochalcone","3-Hydroxy-3-methylglutaric methyl ester","Cystine, N,N'-bis(trifluoroacetyl)-","1-(2-(beta-D-Glucopyranosyloxy)-4,6-dihydroxyphenyl)-3-phenyl-1-propanone","Scropolioside B","sn-glycero-3-phospho-N-(linoleoyl)ethanolamine","aldehydo-oleandrose","2-Hydroxy-2-methylbutyric acid","4-Hydroxy-2',4',6'-trimethoxychalcone","3,5-Dihydroxydecanoic acid","1H-Benzimidazol-5-amine, 2-(4-thiazolyl)-","Pentalenolactone O","Isovalerylglycine","4-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide","3-Methyl-4-pentenoic acid","2-[[2-[(2-Amino-3-methylpentanoyl)amino]acetyl]amino]-3-methylpentanoic acid","Xylan","N-(1-amino-1-oxo-3-phenylpropan-2-yl)-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-(diaminomethylideneamino)pentanamide","4H-1-Benzopyran-4-one, 2-(2,6-dihydroxyphenyl)-2,3-dihydro-5,7-dihydroxy-, (2S)-","4-Quinazolinol, 5,6,7,8-tetrahydro-2-(4-methyl-1-piperazinyl)-","Coatlin A","(3R,5R)-7-[(1S,2S,8S,8aR)-2-methyl-8-(2-methylbutanoyloxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoic acid","4-Hydroxyphenylpyruvic acid","alpha-amino-1H-pyrazole-1-propanoic acid","methyl (4aR,4bR,10aR,12aS)-6,10-dihydroxy-3,4b,7,7,10a,12a-hexamethyl-12-methylidene-1,4,5,8-tetraoxo-9,10,10b,11-tetrahydronaphtho[2,1-f]isochromene-4a-carboxylate","N-acetylgalactosamine 4-sulfate","3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholestan-26-oic acid","Ribose","L-Ascorbic acid, 5,6-O-(1-methylethylidene)-","3-Amino-5-(methylthio)pyrazole-4-carbonitrile","2-Hydroxyhexanedioic acid","methyl 3-formyl-5,6-dimethoxy-1H-indole-2-carboxylate","N-(2,3-Dimethylphenyl)-4-methylbenzenesulfonamide","15-hydroxy-2,15-dimethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexadecanoic acid","N'-butyl-N-(pyridine-4-carbonylamino)carbamimidothioic acid","Neogrifolin","5-Oxo-L-prolyl-L-proline","3alpha-Hydroxy-6-oxo-5alpha-cholan-24-oic acid","9-[(2S,3S,4R,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purine-6-thione","3-[(2,4-Dimethoxyphenyl)amino]-3-oxopropanoic acid","ethyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate","1,7-Dimethylxanthine","Thr-Phe","1-(4-Bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid","5-Bromo-4-fluoro-2-hydroxybenzoic acid","7-Hydroxymethotrexate","3-Isopropylmalic acid","2-[(4-Chlorobenzyl)sulfanyl]pyrimidin-4-ol","N-[4-(cyclopropylsulfamoyl)phenyl]acetamide","3,5-Dinitroaniline","Deoxyinosine","2,4-Quinazolinedithiol","1-Cyclohexylmethyl-1h-indole-3-carboxylic acid","2-Ketocaproic acid","Thiolutin","N-Acetylvaline","Mercaptoethanesulfonic acid","Phe-his","(4E)-4-(2-amino-4-oxo-1H-imidazol-5-ylidene)-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one","Phaclofen","Antibiotic TAN 1446A","5,7-Dihydroxy-3',4',5'-trimethoxyflavanone","10-Methylisoalloxazine","2-[(2R)-2-hydroxycyclohexyl]acetic acid","(10e,15z)-9,12,13-Trihydroxyoctadeca-10,15-dienoic acid","2,4-Dimethylphenol","Biotin","(4Z,7Z,10Z,13Z)-nonadeca-4,7,10,13-tetraene-1-sulfonic acid","9-acetyl-7-(4-amino-5-hydroxy-6-methyloxan-2-yl)oxy-6,9,11-trihydroxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione","5-(9-Anthracenylmethylene)barbituric acid","2-(3,5-dichloro-4-hydroxybenzylidene)-1H-indene-1,3(2H)-dione","Arginylserylarginine","Octadecanedioic acid","N-Acetylaspartic acid","Mesaconic acid","6-Methyl-2-oxo-1,2-dihydropyridine-4-carboxylic acid","(2Z,6E,10Z)-12-acetyloxy-10-(acetyloxymethyl)-6-methyl-2-(4-methylpent-3-enyl)dodeca-2,6,10-trienoic acid","(1R,2S)-2-((S)-Amino(carboxy)methyl)cyclopropanecarboxylic acid","Dimethylmesaconsaure","Tetrahydro-5-oxofuran-2,3-dicarboxylic acid","Oricinol","LysoPE(P-16:0/0:0)","Glycine","Benzenesulfonic acid, 3,4-diamino-","3-(Methylsulphonylamino)benzoic acid","o-Thymotic acid","4-Amino-2-(1,3-benzothiazol-2-yl)phenol","4-Phenyl-5-pyridin-4-yl-4H-[1,2,4]triazole-3-thiol","Cycloolivil","Oleic acid","Desmethylastemizole","Fradiamine A","Glutaric acid","7-Hydroxychroman-2-one","Idelalisib","4,7,7-Trimethyl(2-oxabicyclo(2.2.1)hept-1-yl)carboxylic acid","3-(4-chlorophenyl)-1H-pyrazole","Destruxin A","N-Acetylglutamic acid","Altenuene","Pseudouridine","2-Methylglutaric acid","1H-Purine, 6-[(1-phenylethyl)thio]-","His-Val","3-(1H-1,2,3,4-tetrazol-5-yl)benzoic acid","Ethynylestradiol 3-sulfate","cis-coumarinic acid-beta-D-glucoside","2-Hydroxypalmitic acid","6,7-dichloro-tryptophan","Alanine pyruvate","N2,N5-Bis((phenylmethoxy)carbonyl)-L-ornithine","(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,6S,9S,10R,14R)-14-hydroxy-5,5,9,14-tetramethyl-6-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]oxy]oxane-3,4,5-triol","8-Hydroxy-9,10-epoxystearic acid","Diethylphosphate","Isovaleric acid","Ribothymidine","Quillaic acid","SCH-50911 free base","3-[6-[(E)-4,6-dimethyloct-2-en-2-yl]-5-methyloxan-2-yl]-4-hydroxy-5-(4-hydroxyphenyl)-1H-pyridin-2-one","2-Carbamoylpyridine-3-carboxylic acid","2-keto-4-hydroxybutanoate","(-) Syringaresinol","2-Methyl-3-[(tetrahydro-2-furanylcarbonyl)amino]benzoic acid","Urobilinogen","Cylindrol B","1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxylic acid","3-Oxocholic acid","3-Methylxanthine","3-Ethoxy-2-hydroxy-5-nitrobenzaldehyde","13-Hydroxy-17,19-dimethoxy-6-prop-1-en-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,17-pentaene-12,16-dione","Glyceric acid","Euscaphic acid","Hexadecanedioic acid","13,15-Dihydroxy-5-methyl-4-oxabicyclo[10.4.0]hexadeca-1(12),13,15-triene-3,11-dione","(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(E)-7-hydroxy-3,7-dimethyloct-3-enoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol","4-[(Phenylsulfanyl)methyl]benzoic acid","(3S)-3-acetyloxy-3-[(1R,2R,5R,6R,10S,11S,14S)-11-(furan-3-yl)-5-(2-hydroxypropan-2-yl)-2,6,10-trimethyl-3,13-dioxo-12,15-dioxatetracyclo[8.5.0.01,14.02,7]pentadecan-6-yl]propanoic acid","Biliverdin","1-[5-ethyl-2-hydroxy-4-[6-methyl-6-(2H-tetrazol-5-yl)heptoxy]phenyl]ethanone","4,8-Dihydroxy-3,7,8-trimethyl-5,7-dihydropyrano[4,3-b]pyran-2-one","17-Methyl-6Z-octadecenoic acid","3-Hydroxy-2-hydroxymethyl-6-methylpyridine","2-Aminoisobutyric acid","Homocitric acid","Xylose","5S,12R-Dihydroxy-6Z,8E,10E-eicosatrienoic acid","2-Amino-3-[4-(phosphonomethyl)phenyl]propanoic acid","Uridine","4-oxo-N-acetylneuraminate","Combretastatin A-4","N-(1-(Aminocarbonyl)-2,2-dimethylpropyl)-1-((4-fluorophenyl)methyl)-1H-indazole-3-carboxamide","5-[(4-nitrophenyl)hydrazinylidene]-1,3-diazinane-2,4,6-trione","Datiscin","2-[(4S,5S,5aS,9aS)-4-methoxy-6,6,9a-trimethyl-5-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-1-oxo-4,5,5a,7,8,9-hexahydro-3H-benzo[e]isoindol-2-yl]pentanedioic acid","4-Hydroxyphenylacetaldehyde","1-Isopropyl-1H-benzoimidazole-5-carboxylic acid","Trimethylpyruvic acid","Malonic acid","5-cyclopropyl-2H-tetrazole","[4-acetyloxy-2,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate","Proline","1-(2-Phenylacetyl)-L-prolylglycine ethy ester","Triacetin","9,10,11-Trihydroxy-(12z)-12-octadecenoic acid","(E)-9-(1,3-benzodioxol-5-yl)non-8-enoic acid","Thr-Ala","Gly-His","ALLM (Calpain Inhibitor)","Ile-Ser","Glucuronic acid","7alpha,25-Dihydroxycholesterol","Chenodeoxycholic acid 3-glucuronide","5-(2-Chlorophenyl)-1,3,4-oxadiazole-2-thiol","Prostaglandin F2alpha (PGF2a)","4-methyl-N-(4-nitrophenyl)piperazine-1-carboximidothioic acid","5-Cholesten-3beta-25-diol-3-sulfate","5-[(1S,2R,4aR)-5-(Hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]-3-methylpentanoic acid","2,2-Dimethylglutaric acid","2,4-Dihydroxybutanoic acid","13-Hydroperoxyoctadeca-9,11-dienoic acid","Melevodopa","Fumaric acid","5-chloro-6-fluoro-1H-benzimidazol-2-amine","16-butan-2-yl-3-(2,3-dihydroxypropyl)-10,11,14,20-tetramethyl-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone","Benzenesulfonamide, 2-methyl-N-(4-methylphenyl)-","3-Hydroxy-3-methyl-5-oxo-5-[(3,4,5-trihydroxy-6-phenylmethoxyoxan-2-yl)methoxy]pentanoic acid","2,4-Hexadienoic-acid","Sulfoacetic acid","10,13-dimethyl-17-oxo-3-sulfooxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene","Multifloroside","Patuletin 7-glucoside","ethyl (Z)-2-cyano-3-(1H-indol-3-yl)prop-2-enoate","Sucrose","5-Acetamido-4-oxohexanoic acid","Tricarballylic anhydride","Dodecyl gallate","Hydantoin, 5-(p-isopentoxyphenyl)-5-methyl-","alpha-Fructofuranose-beta-fructofuranose 2',1:2,3'-dianhydride","2-mercaptoglutarate","(2S)-5-amino-2-[[(2R)-2-azaniumyl-4-methylpentanoyl]amino]-5-oxopentanoate","Eglumetad","Methyl (2S)-2-[[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]propanoate","N-[1-(1H-benzimidazol-2-yl)-3-methyl-1H-pyrazol-5-yl]acetamide","Ascr#5","Alvocidib","Bis-fructose 2',1:2,1'-dianhydride","2-(1-methyl-1H-indol-3-yl)acetic acid","Taurocholic acid","3-[(1E,3E)-hepta-1,3-dienyl]pentanedioic acid","2-Isopropylmalic acid","3-(5-chloro-1H-benzimidazol-2-yl)propan-1-amine","7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,5-diol","N-(4-chloro-3-nitrophenyl)-3-methylbenzamide","1,3-Dimethyluric acid","2-(4,5-Dihydroxy-2-methyl-phenyl)-4-hydroxy-6-methoxy-benzoic acid","Lysyl-Isoleucine","Boc-gly-gly-gly-OH","6-Hydroxy-6-(3-hydroxy-2,3-dimethylcyclopentyl)-2-methylheptanoic acid","N-(2-oxo-2-piperidin-1-ylethyl)benzenesulfonamide","2',4'-Dihydroxy-3',6'',6''-trimethylpyrano[2'',3'':6',5']chalcone","N-Stearoyl Taurine","(2R,3S,4S,5S,6R)-2-[[7-hydroxy-4-[(Z)-5-hydroxy-3-methylpent-3-enyl]-4a,8,8-trimethyl-3-methylidene-2,4,5,6,7,8a-hexahydro-1H-naphthalen-2-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol","Suberic acid","5-Hydroxydopamine","1-Isopropyl-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid","19-[(2S,3S)-3,6-Dihydro-3-methyl-6-oxo-2H-pyran-2-yl]-17-ethyl-6-hydroxy-3,5S,7S,9R,11,15R,hexamethyl-8-oxo-2E,10E,12E,16Z,18E-nonadecapentaenoic acid","3,8-Dihydroxy-7,14-dimethoxy-17-methyl-12,16,21-trioxapentacyclo[15.3.1.02,15.04,13.06,11]henicosa-2(15),3,6(11),7,9,13-hexaen-5-one","Hydroxyacetone","2,6-Dihydroxybenzoic acid","Flavodic Acid","3'-alpha-Sialyl-N-acetyllactosamine","3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid","Creatinine","Allopregnanolone sulfate","(2S,3S,4S,5R,6R)-6-[[(3S,5S,8R,9S,10S,13S,14S)-10,13-dimethyl-1-methylidene-17-oxo-3,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-2H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid","3-methylsulfanyl-4-oxo-6,7-dihydro-5H-2-benzothiophene-1-carboxylic acid","Gibberellin A79","Pimelic acid","[(2S,3R)-2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-3,4-dihydro-2H-chromen-7-yl] 3,4,5-trihydroxybenzoate","Emodin","3-Aminopentanedioic acid","Cyclamic acid","N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine","Methanedisulfonic acid","5-Aminopentanoic acid","Valine","Glycolithocholic acid","Leu-Trp","7-Hydroxy-3-(2-hydroxy-propyl)-5-methyl-isochromen-1-one","5-(3-Chlorophenyl)-5-methylimidazolidine-2,4-dione","Hydroheptelidic acid","3-Sulfopropanoic acid","2-(2,3-Dichlorophenyl)phenol","(1,2,3,4)Tetrazolo(1,5-a)pyridine-8-carboxylic acid","R-1 Methanandamide Phosphate","Deoxycholic acid 3-glucuronide","(+)-Epigallocatechin","Steppogenin","Theobromine","4-Hydroxy-6-mercaptopyrazolo(3,4-d)pyrimidine","Atpo","1-(9H-purin-6-yl)piperidin-4-amine","16,16-dimethyl-6-keto Prostaglandin E1","Itaconic acid","6-({2-[(5-Chloro-2-Methoxyphenyl)amino]-2-Oxoethyl}sulfanyl)pyridine-3-Carboxylic Acid","Leu-Leu","Acetaminophen sulfate","(2R,7R,8R,9R,10S,20S)-7,8,9,19-tetrahydroxy-6,17-bis(hydroxymethyl)-2,6,10,17-tetramethylhexacyclo[12.8.1.01,14.02,11.05,10.015,20]tricos-12-ene-20-carboxylic acid","1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phospho-(1'-rac-glycerol)","8-Hydroxyadenine","3,5,5-trimethyl-4-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxybutyl]cyclohex-2-en-1-one","Hydroxytyrosol acetate","Hesperetin","LAT1-IN-1","4-Nitroresorcinol","2-Hydroxy-3-methylbutyric acid","2-Methylglutamic acid","Cytidine","5,7-Dihydroxy-3',4',5'-trimethoxyflavone","4-{(E)-[2-(4-Chlorophenyl)hydrazinylidene]methyl}benzene-1,2,3-Triol","1,9-Dimethyluric acid","PE(P-16:0/20:4(5Z,8Z,11Z,14Z))","Di(2-thienyl)acetic acid","Arginyl-Asparagine","2-oxindole-3-acetate","Carbonothioic O,S-acid","N-(tert-butoxycarbonyl)-L-aspartic acid","alpha-Paxitriol","5,7-Dihydroxy-3-[4-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxyphenyl]chromen-4-one","Risedronate","2-Aminoadipic acid","Heptylmalonic acid","3-Hydroxyisovaleric acid","(2R)-2-[[(2S)-2-azaniumylpropanoyl]amino]-3-phenylpropanoate","N-cyclohexyl-2-(3-fluoro-N-[2-(2-methylimidazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide","1-[8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxynaphthalen-2-yl]ethanone","2-Methyltetrahydrofuran-3-one","((((2-(6-Amino-9H-purin-9-yl)ethoxy)methyl)(hydroxy)phosphoryl)oxy)methyl pivalate","Dodecanoic acid","5alpha-Pregnan-3alpha,17-diol-20-one 3-sulfate","LysoPE(P-18:0/0:0)","3-chloro-6-nitro-9H-carbazole","3-hydroxy-3-methyl-5-oxo-5-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-octan-3-yloxyoxan-2-yl]methoxy]pentanoic acid","Clausarin","Nalpha-(3-hydroxy-3-methylhexanoyl)-glutamine","2-Hydroxyethanesulfonic acid","7-Ketolithocholic acid","2-Naphthalenethiol","[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-hydroxy-2-(2-hydroxy-2-methylpropyl)-4,4,6,6-tetramethyl-3,5-dioxocyclohexyl]oxyoxan-2-yl]methyl 3,4,5-trihydroxybenzoate","alpha-D-Galp-(1->3)-beta-D-Galp-(1->4)-alpha-D-Galp-(1->3)-D-Galp","N-(1H-benzimidazol-2-yl)-4-fluorobenzamide","8-(3-Pyridyl)theophylline","13(S)-HODE","Hyodeoxycholic acid","3-Methylcatechol","(2R)-2-((2R,5S)-5-((2S)-2-Hydroxybutyl)oxolan-2-YL)propanoic acid","2-Dec-9-enyl-3-hydroxypentanedioic acid","Pantoic Acid","Prosta-5,13-dien-1-oic acid, 11-hydroxy-9,15-dioxo-, (5Z,8beta,11alpha,13E)-","Cortisol sulfate","3-(Difluoromethoxy)-4-methoxybenzoic acid","10-Butan-2-yl-1-hydroxy-13-(4-oxoquinazolin-3-yl)-8,11-diazatetracyclo[6.6.1.02,7.011,15]pentadeca-2,4,6-triene-9,12-dione","N-Acetylalanine","6-Fluoroindole-2-carboxylic Acid","3-[2-(2-Anilinoethenyl)-4,5-dihydro-1,3-thiazol-3-ium-3-yl]propane-1-sulfonate","Chenodeoxycholic acid 24-acyl-beta-D-glucuronide","Naringenin","13,14-Dihydro-15-ketotetranorprostaglandin F1.beta.","Allantoin","Embelin","8-Hydroxycarbostyril","1,5-Anhydroglucitol","Ala-Val","2-methylcitrate","3-Hydroxysuberic acid","2-Methyl-5-hydroxypyridine","Formylanthranilic acid","6-Hydroxynorleucine","Methyl 7-epi-12-hydroxyjasmonate glucoside","9-(2,3-Dihydroxypropoxy)-9-oxononanoic acid","2-(1H-pyrrol-1-yl)benzoic acid","N2-Acetyllysine","1,11-Undecanedicarboxylic acid","2-Benzimidazolecarbamonitrile","2-Hydroxy-4-(2-(tosyloxy)acetamido)benzoic acid","gamma-Glutamyl-propargylglycine","4-[4-cyano-2-[2-(4-fluoronaphthalen-1-yl)propanoylamino]phenyl]butanoic acid","Kynurenic acid","beta-Alanine","3-(Trifluoromethyl)-DL-phenylalanine","D-Glycero-D-guloheptonic acid","Phomalone","Gabazine free base","(2Z)-2-(16-acetyloxy-6-hydroxy-4,8,10,14-tetramethyl-3,7-dioxo-2,4,5,6,9,11,12,13,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)-6-methylhept-5-enoic acid","(6E,8E)-3-hydroxy-10-methoxy-4,9-dimethyl-10-oxodeca-6,8-dienoic acid","N-(3-methylphenyl)-4-pyridin-4-yl-1,3-thiazol-2-amine","1-palmitoleoyl-sn-glycero-3-phosphoethanolamine","5-(2-(4-Chlorophenyl)hydrazono)-2,2-dimethyl-1,3-dioxane-4,6-dione","alpha-Ketoisovaleric acid","D-Valyl-L-glutamic acid","D-valyl-aspartic acid","2-Oxosuberate","9-Oxooctadecanoic acid","5-(2-Fluorophenyl)furan-2-carboxylic acid","H-Tyr-val-OH","N-[(4-chlorophenyl)methyl]-7H-purin-6-amine","4-Hydroxyproline","Cholesteryl sulfate","N-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-2-morpholin-4-ylacetamide","2,3-Dihydroxypropane-1-sulfonate","Qingyangshengenin","Estradiol 3-glucuronide","omega-Cyclohexylundecanoic acid","(-)-Averantin","gamma-Glutamylglutamic acid","Vigabatrin","N-(4-chlorophenyl)-1-[3-(furan-2-yl)benzoyl]piperidine-3-carboxamide","Jasminoside N","Phosphate","1-O-Cinnamoyl-6-O-p-coumaroyl-b-D-glucopyranose","Hexamethylquercetagetin","3-Methyladipic acid","Pentadecanoic acid","Polygalacic acid","(1'S,6'S,7'R,8R)-4,4,6',10',10',13'-hexamethylspiro[10H-[1,4]dioxepino[2,3-g]indole-8,11'-3,13-diazatetracyclo[5.5.2.01,9.03,7]tetradecane]-9,14'-dione","Xylobiose","Val-Val-Val","Dimethyl phosphate","Galactinol","3-[4-Methyl-1-(2-methylpropanoyl)-3-oxocyclohexyl]butanoic acid","1-(2,4-Dihydroxyphenyl)-2-(4-nitrophenyl)ethanone","3-Methyl-4-nitrophenol","2-(2-Oxopropanoyloxy)propanoic acid","3-Phenylpropanoic acid","6-(3,5-dimethyl-1H-pyrazol-1-yl)pyridazin-3(2H)-one","Phe-Leu","13,14-dihydro-16,16-difluoro Prostaglandin F2alpha","Bisindolylmaleimide I","3-Sulfino-alanine","3-(Methylthio)propionic acid","9-chloro-5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol","(1R,4aR,4bS,6aS,9R,10R,10aS)-1-(carboxymethyl)-2-(2-carboxypropan-2-yl)-10-hydroxy-1,4a,4b,9,10-pentamethyl-3,4,5,6,7,8,9,10a,12,12a-decahydro-2H-chrysene-6a-carboxylic acid","diethyl 1H-pyrazole-3,5-dicarboxylate","2-Hydroxy-2-(propan-2-yl)butanedioylcarnitine","2-[[2-[(2-Amino-4-methylpentanoyl)amino]acetyl]amino]-4-methylpentanoic acid","Glu-Glu","1,7-Dimethyluric acid","5-Chloro-3,4-dihydroquinazolin-4-one","Madurastatin B2","Chenodeoxycholylalanine","Indolelactic acid","4-chloro-8-methoxy-5H-pyrimido[5,4-b]indole","Aloin B","Avibactam","N-(4-Phenyl-thiazol-2-yl)-phthalamic acid","Hepta-2,4-dienoylcarnitine","1-(4-Methoxyphenyl)-2-methyl-3-nitro-1H-indol-6-ol","N-ethyl-4-hydroxy-N-phenylbenzenesulfonamide","3-Methyluridine","Euxanthone","1,1-Dioxo-1,2-thiazolidine-3-carboxylic acid","3-[(1E,3E)-hepta-1,3-dienyl]hexanedioic acid","3-(Benzoylamino)-2-Hydroxybenzoic Acid","beta-Muricholic acid","(2R)-3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate","Tyrosine","5-Amino-2-(5-aminobenzo[d]oxazol-2-yl)phenol","Ile-Leu","3-(3-Hydroxyphenyl)propanoic acid","YA(Dstereo)F(Amide)","1-(3,5-Dihydroxyphenyl)-12-hydroxytridecan-2-one","Acetylcarnitine (Car(2:0))","12-Methyltridecanoic acid","3-(1-Methyl-2-Oxo-2,3-Dihydro-1h-Imidazo[4,5-B]pyridin-6-Yl)benzamide","Myristic acid","5-Oxooctanoic acid","Alanyl-gamma-glutamyl-meso-2,6-diaminoheptanedioate","Hypoxanthine","(1-(5-fluoropentyl)-2-hydroxy-1H-indol-3-yl)(naphthalen-1-yl)methanone","5,5,5-Trifluoroleucine","gamma-Linolenic acid","5Z,8Z,11Z-Eicosatrienoic acid","Pyrithiobac","alpha-Linolenic acid","6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid","3-Aminosalicylic acid","LPE(18:1(9Z)/0:0)","N-tert-butyl-4-fluorobenzenesulfonamide","Shikonin","5-Hydroxy-7-methoxy-6-methylflavone","Gly-Ala","1,3,5-trihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid","3-(4-Hydroxyphenyl)-3-oxopropanoic acid","gamma-Glutamyllysine","7,12-Dioxolithocholic acid","L-Tyrosyl-L-Threonine","Phe-Tyr","7-Chloro-6-nitro-4-quinazolinol","2-Ethyl-2-hydroxybutyric acid","[3,4,5,6-Tetrahydroxy-1-oxohexan-2-yl] 2-hydroxypropanoate","Epiandrosterone Glucuronide","20-Cooh ltb4","2-(2,3-Dimethylphenyl)-7-methyl-1,2,4-triazaspiro[4.5]decane-3-thione","(2S)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]butanedioic acid","(E)-3,10-Dihydroxy-4,9-dimethyldodec-6-enedioic acid","4-Chromanone","Pomolic acid","1,2-Dihydro-2,7-naphthyridin-1-one","(2S)-2-azaniumyl-5-(naphthalen-2-ylamino)-5-oxopentanoate","Inosine","H-Gly-Pro-Arg-OH","Benzenesulfonic Acid","6-Bromo-2-(3-isobutoxyphenyl)quinoline-4-carboxylic acid","4-Hydroxy-2-nonenoic acid","Methylimidazoleacetic acid","beta-galactosyl-cholate","3-(2-hydroxybutan-2-yl)-5-oxooxolane-3-carboxylic acid","Leu-Ile","Histidinol","2-hydroxy-1,3-dimethyl-9H-thioxanthen-9-one","4-(Cyclohexyloxy)-4-oxobutanoic acid","Ala-Gly","N-Acetylmethionine","2-formyl-1-hydroxy-5,5,8a-trimethyl-4-[(2E,4E,6E)-octa-2,4,6-trienoyl]oxy-4a,6,7,8-tetrahydro-4H-naphthalene-1-carboxylic acid","(2R)-3-(((2,3-Dihydroxypropoxy)(hydroxy)phosphoryl)oxy)-2-hydroxypropyl (Z)-heptadec-10-enoate","Melibiose","Ala-Glu","Ellagic acid","3-hydroxy-3-methyl-5-oxo-5-[[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxy]pentanoic acid","Ethylmalonic acid","3-Methylbut-2-enoic acid","4-Hydroxydodecanoic acid","4-oxo-4-[[(1R,5R,9R,10S,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-yl]oxy]butanoic acid","Ethyl 3-hydroxybenzoate","(6-chloro-1H-benzo[d]imidazol-2-yl)methanol","9,10-epoxy-12-oxododecanoate","Acetylleucine","Isoquercitin","3-(carboxymethylaminomethyl)-4-hydroxybenzoate","Scrophularoside A8","Terminolic acid","Allocholic acid","Verproside","Soyasaponin I","3,5,5-Trimethyl-4beta-hydroxy-4-[3-(beta-D-glucopyranosyloxy)-1-butenyl]-2-cyclohexene-1-one","Valproic acid","LPI(17:1)","2,4-Dichloro-3-ethyl-6-aminophenol","N,N-dimethyl-1-[5-[2-[[(E)-1-(methylamino)-2-nitroethenyl]amino]ethylsulfanylmethyl]furan-2-yl]methanamine oxide","5-chloro-1H-indazole-3-carboxylic acid","Narirutin","Sebacic acid","5-methoxybenzothiazole-2(3H)-thione","N5-acetyl-l-ornithine","[6-[3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate","(1R,6S,7S)-9-[(Z)-2-Methoxycarbonyl-3-methylbut-1-enyl]-5,5-dimethyl-8,11-dioxo-12-oxatricyclo[5.3.2.01,6]dodec-9-ene-10-carboxylic acid","Dihydrouracil","2-(4-Oxo-1,3-thiazolidin-3-yl)acetic acid","2-Hydroxystearic acid","sulfoquinovosyl-1-O-dihydroxyacetone","Theophylline","(2S)-6-amino-2-[[(2R)-2-amino-3-methylbutanoyl]amino]hexanoic acid","3-(1-methyl-1H-pyrazol-5-yl)propanoic acid","7-Ketodeoxycholic acid","2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol","Zoxazolamine","3-(Oxolan-2-yl)propanoic acid","4-chloro-1H-1,2,3-benzotriazol-1-ol","2-(N-methylmethanesulfonamido)acetic acid","[(2R,3R,4S,5S,6R)-5-acetyloxy-2-(acetyloxymethyl)-3-hydroxy-6-[(2S,3R)-2,3,4-trihydroxybutoxy]oxan-4-yl] dodecanoate","2-Amino-3-cyclopentylpropanoic acid","Picolinic acid","(2-(2-Methoxyethoxy)ethoxy)acetic acid","myo-Inositol","2,3-Dihydroxybenzoic acid (Pyrocatechuic acid)","9-hydroperoxytraumatin","Pyroglutamic acid","(8S)-8-amino-7-oxononanoic acid","1-(linoleoyl)-sn-glycero-3-phosphoethanolamine","4-methyl-1-sulfanylidene-2H-[1,2,4]triazolo[4,3-a]quinazolin-5-one","Penitrem A","3-(1H-1,3-benzodiazol-1-yl)propanoic acid","5-Amino-2-(3-hexyl-4-methyl-2,5-dioxopyrrol-1-yl)-5-oxopentanoic acid","Dodecanedioic acid","1-Methylpseudouridine","Equisetin","2-[[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[(5-hydroxy-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]oxane-3,4,5-triol","5-Nitrosalicylate","2-[4-(Dibutylamino)-2-hydroxybenzoyl]benzoic acid","2-Oxo-6-phenyl-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile","3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol","Deoxyguanosine","Glutamylleucylarginine","Gingerol","Quinic acid","Phenol, 5-amino-2-(2-benzoxazolyl)-","(3S)-4-(tert-Butoxycarbonyl)morpholine-3-carboxylic acid","2,3-Dihydroxy-3-(2-hydroxypropan-2-yl)-8a-methyl-1,2,3a,4,5,8-hexahydroazulene-6-carboxylic acid","2,4-Dihydroxybenzoic acid","2-Hydroxyisobutyric acid","Tauro-beta-muricholic acid","Undec-5-enedioylcarnitine","N-(Tris(hydroxymethyl)methyl)-3-amino-2-hydroxypropanesulfonic acid","(+-)-2-Hydroxyisocaproic acid","1,5-Dicaffeoylquinic acid","(Isobutylamino)(oxo)acetic acid","[(2R,3S,4S,5R,6R)-6-[(2S,3S,4S,5R)-4-acetyloxy-3-hydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-phenylprop-2-enoate","Cholic acid/Muricholic acid, asparagine-conjugated","Thymidine","Glu-Thr","Ursodeoxycholic acid","3-Hydroxysebacic acid","Isocaproic acid","Val-Ser","Orotic acid","4-Hydroxy-3-Nitroacetophenone","2-benzylsulfanyl-6-phenyl-1H-pyrimidin-4-one","Glycerol lactate pyruvate","N-Tigloylglycine","Malic acid","1,1'-(1,8-Dioxo-1,8-octanediyl)bis[glycyl-glycine","4,7,10,13,16,19-Docosahexaenoic acid, (1R)-1-[[[(2,3-dihydroxypropoxy)hydroxyphosphinyl]oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl ester, (4Z,7Z,10Z,13Z,16Z,19Z)-","Docebenone","yelosamine","6-[[(2S)-3-cyclopentyl-2-[4-(trifluoromethyl)imidazol-1-yl]propanoyl]amino]pyridine-3-carboxylic acid","(2S)-2-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]-4-methylsulfanylbutanoate","(2S)-2-{[(tert-butoxy)carbonyl]amino}pentanedioic acid","Secologanin","(5Z)-7-((1R,2R,3S,5S)-2-((1E,3R)-3-(2,3-Dihydro-1H-inden-2-yl)-3-hydroxy-1-propen-1-yl)-3-fluoro-5-hydroxycyclopentyl)-5-heptenoic acid","Resveratroloside","7-Mercapto-4-methylcoumarin","(6aS)-1,2,10-trimethoxy-6-methyl-6-oxido-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-9-ol","Mandelic acid","Prednisolone Phosphate","(13E)-10-hydroxy-7,7,13,17,18-pentamethyl-20-(2-methylpropyl)-2,6,8-trioxa-21-azatetracyclo[13.7.0.01,19.05,9]docosa-13,16-diene-3,22-dione","Theanine","(2Z,9Z)-6-[[3-hydroxy-1-(2-methylbut-3-en-2-yl)-2-oxoindol-3-yl]methyl]-11,11-dimethyl-5,8,13-triazatetracyclo[10.7.0.03,8.014,19]nonadeca-1(12),2,9,14,16,18-hexaene-4,7-dione","(2S,3R,4S,5R)-2-[4-[7-hydroxy-3-(hydroxymethyl)-5-(3-hydroxypropyl)-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol","15(R),19(R)-Hydroxyprostaglandin F1alpha","3-Hydorxy-3-methylglutaric acid","3,4-dihydroxybenzylamine","Chrodrimanin B","(19-Hydroxy-4,5,24-trimethyl-22-oxo-26,27-dioxa-7-azaheptacyclo[21.3.1.01,20.04,19.05,16.06,14.08,13]heptacosa-6(14),8,10,12,20-pentaen-24-yl) 2-hydroxy-2-methylpropanoate","2-(2-Acetoxy-12-hydroxytridecyl)-4,6-dihydroxybenz","Oxypurinol","3-(2,5-Dimethoxyphenyl)propionic acid","[(2S,3S,4S,5R,6S)-5-hydroxy-6-[[(2S,4S,5S,10S)-2-(hydroxymethyl)-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-5-yl]oxy]-2-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate","1H-Pyrazole-4-carboxylic acid, 3-(aminosulfonyl)-, ethyl ester","12-Hydroxystearic acid","2,2'-Thiobis(4-methyl-6-tert-butylphenol)","p-Toluquinone","Butanoic acid","5-Phenyl-1H-tetrazole","20-Carboxyleukotriene B4","3-Carboxy-4-Methyl-5-Propyl-2-Furanpropanoic Acid","Raffinose","Taurodeoxycholic acid","4-Aminobutyric acid (GABA)","[(2R,3R,4R,5R)-5-acetamido-2,3,4-trihydroxy-6-oxohexyl] dihydrogen phosphate","Azelaic acid","5-Nitro-3-phenyl-1H-indole-2-carboxylic acid","4-Oxohexanoic acid","2-[(2-acetamido-3-phenylpropanoyl)amino]-3-methylbutanoic acid","(1)Benzothieno(2,3-d)pyrimidin-4(3H)-one, 5,6,7,8-tetrahydro-2-((4-methyl-1-piperazinyl)methyl)-","PYROMELLITIC ACID","4-(1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-amine","2-Chloro-5-(1,2,4-triazol-4-yl)benzoic acid","12-Hydroxyjasmonic acid","Nicotinate","6-Amino-1-(2-methoxyethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione","4-Ethoxybenzoic acid","3-Oxocyclobutane-1-carboxylic acid","Deoxycholic acid","4,4,4-Trifluorobutanoic acid","LysoPS(18:2(9Z,12Z)/0:0)","2-Hydroxyphenylacetic acid","(Benzothiazole-2-sulfonyl)-acetic acid","Colutehydroquinone","[7'-formyl-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzofuran]-2-yl] acetate"],"additional_accession":[]},"is_claimable":false,"name":"Spirulina Alleviates Functional Constipation by Remodeling Gut Microbiota and Fecal Metabolites: A Metagenomic and Metabolomic Study","description":"Abstract Objective: Functional constipation (FC) is a common gastrointestinal disorder that significantly affects quality of life. Increasing evidence suggests that gut microbiota and their derived metabolites play a critical role in FC, yet the therapeutic potential of Spirulina and its underlying mechanisms remain poorly understood. Methods: Fecal samples were collected from 21 patients with FC before and after Spirulina treatment (42 samples in total) and from healthy controls (HC) recruited during the same period, with 63 participants included overall. Metagenomic sequencing and metabolomic profiling were performed on all fecal samples to evaluate the therapeutic efficacy of Spirulina and to identify key gut microbiota and microbial-derived metabolites associated with FC. Multi-omics analyses, including integrative metagenomic–metabolomic correlation, were conducted to elucidate the molecular mechanisms underlying the effects of Spirulina on FC. Results: Patients with FC exhibited significantly altered gut microbial composition and reduced microbial diversity compared with HC. Spirulina treatment markedly improved clinical symptoms, accompanied by a notable increase in beneficial taxa such as Bacteroides uniformis and Phocaeicola dorei, and a decrease in potentially pathogenic species including Escherichia coli. Metabolomic profiling revealed that Spirulina treatment reshaped the fecal metabolite landscape, with a significant enrichment of short-chain fatty acids (SCFAs), particularly butyrate, and a reduction in pro-inflammatory metabolites. Integrated metagenomic and metabolomic analyses identified Bacteroides uniformis and its derived metabolite butyrate as key mediators associated with symptom improvement. Conclusion:Our findings suggest that Spirulina alleviates functional constipation by remodeling gut microbiota and fecal metabolites. These observations provide a preliminary basis for further investigating Spirulina as a therapeutic strategy for functional constipation.","dates":{"publication":"2026-09-30","submission":"2026-09-30"},"accession":"MTBLS15871","cross_references":{}}