Exact Mass: 463.1299
Exact Mass Matches: 463.1299
Found 490 metabolites which its exact mass value is equals to given mass value 463.1299
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
7-Methylthioheptyl glucosinolate
Acquisition and generation of the data is financially supported by the Max-Planck-Society
Peonidin-3-glucoside
Peonidin-3-glucoside has been proposed by Wu et al. [PMID: 12097661] to be a secondary metabolite of cyanidin-3-glucoside which may be methylated by liver enzymes during phase II metabolism. Peonidin 3-glucoside is isolated from grapes and many other plant spp. It is found in red wine, common wheat, and lowbush blueberry. Acquisition and generation of the data is financially supported in part by CREST/JST.
Pivampicillin
Pivampicillin is only found in individuals that have used or taken this drug. It is an analog of ampicillin.Ampicillin (the active metabolite of pivampicillin) has a bactericidal action resulting from inhibition of cell wall mucopeptide biosynthesis. J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D08396
1D-myo-inositol 2-acetamido-2-deoxy-alpha-D-glucopyranoside 3-phosphate
L 735821
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
Pinotin A aglycone
Pinotin A aglycone is a polyphenol compound found in foods of plant origin (PMID: 20428313)
Isopeonidin 3-galactoside
Isopeonidin 3-galactoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Isopeonidin 3-glucoside
Isopeonidin 3-glucoside is a polyphenol metabolite detected in biological fluids (PMID: 20428313). A polyphenol metabolite detected in biological fluids [PhenolExplorer]
Rosuvastatin 5 S-lactone
Rosuvastatin 5 S-lactone is a metabolite of rosuvastatin. Rosuvastatin (marketed by AstraZeneca as Crestor) is a member of the drug class of statins, used to treat high cholesterol and related conditions, and to prevent cardiovascular disease. It was developed by Shionogi. (Wikipedia)
ent-Rosuvastatin Lactone
Sipoglitazar
C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist
N-Carbobenzoxyglycyl-prolyl-4-methylcoumarinyl amide
Malvidin 3-arabinoside
Malvidin 3-arabinoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Malvidin 3-arabinoside can be found in a number of food items such as sweet cherry, lingonberry, red raspberry, and american cranberry, which makes malvidin 3-arabinoside a potential biomarker for the consumption of these food products.
Peonidin 3-galactoside
Peonidin 3-galactoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Peonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3-galactoside can be found in a number of food items such as mango, red raspberry, rubus (blackberry, raspberry), and bilberry, which makes peonidin 3-galactoside a potential biomarker for the consumption of these food products.
7-methylthioheptyl glucosinolate
7-methylthioheptyl glucosinolate is a member of the class of compounds known as alkylglucosinolates. Alkylglucosinolates are organic compounds containing a glucosinolate moiety that carries an alkyl chain. 7-methylthioheptyl glucosinolate is slightly soluble (in water) and an extremely strong acidic compound (based on its pKa). 7-methylthioheptyl glucosinolate can be found in a number of food items such as macadamia nut (m. tetraphylla), annual wild rice, herbs and spices, and horseradish tree, which makes 7-methylthioheptyl glucosinolate a potential biomarker for the consumption of these food products.
Peonidin galactoside
Malvidin 3-arabinoside
Glucopeonidin
O1-Benzoyl-2-(4-{[3-chloro-5-(trifluoromethyl)-2-pyridyl]methoxy}phenyl)ethanehydroximamide
(S)-Phenyl-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-acetonitril|(S)-phenyl-(tetra-O-acetyl-beta-D-glucopyranosyloxy)-acetonitrile|sambunigrin tetraacetate
Thr Asp Asn Asp
Peonidin-3-O-beta-galactopyranoside
Acquisition and generation of the data is financially supported in part by CREST/JST.
pivampicillin
J - Antiinfectives for systemic use > J01 - Antibacterials for systemic use > J01C - Beta-lactam antibacterials, penicillins > J01CA - Penicillins with extended spectrum D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D047090 - beta-Lactams D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D010406 - Penicillins D000890 - Anti-Infective Agents > D000900 - Anti-Bacterial Agents > D007769 - Lactams C254 - Anti-Infective Agent > C258 - Antibiotic > C260 - Beta-Lactam Antibiotic Same as: D08396
AVE3295
CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4217; ORIGINAL_PRECURSOR_SCAN_NO 4215 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4235; ORIGINAL_PRECURSOR_SCAN_NO 4234 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4218; ORIGINAL_PRECURSOR_SCAN_NO 4217 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4228; ORIGINAL_PRECURSOR_SCAN_NO 4226 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4237; ORIGINAL_PRECURSOR_SCAN_NO 4236 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 4231; ORIGINAL_PRECURSOR_SCAN_NO 4229 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9056; ORIGINAL_PRECURSOR_SCAN_NO 9054 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9059; ORIGINAL_PRECURSOR_SCAN_NO 9057 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9067; ORIGINAL_PRECURSOR_SCAN_NO 9066 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9069; ORIGINAL_PRECURSOR_SCAN_NO 9067 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9087; ORIGINAL_PRECURSOR_SCAN_NO 9082 CONFIDENCE standard compound; INTERNAL_ID 1003; DATASET 20200303_ENTACT_RP_MIX502; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9081; ORIGINAL_PRECURSOR_SCAN_NO 9077
8-2-Amino-3-methylimidazo[4,5-f]quinoline-deoxyguanosine
Ala Asp Met Gln
Ala Asp Gln Met
Ala Glu Met Asn
Ala Glu Asn Met
Ala Met Asp Gln
Ala Met Glu Asn
Ala Met Asn Glu
Ala Met Gln Asp
Ala Asn Glu Met
Ala Asn Met Glu
Ala Gln Asp Met
Ala Gln Met Asp
Cys Asp Ile Asn
Cys Asp Leu Asn
Cys Asp Asn Ile
Cys Asp Asn Leu
Cys Asp Gln Val
Cys Asp Val Gln
Cys Glu Asn Val
Cys Glu Val Asn
Cys Ile Asp Asn
Cys Ile Asn Asp
Cys Leu Asp Asn
Cys Leu Asn Asp
Cys Met Asn Pro
Cys Met Pro Asn
Cys Asn Asp Ile
Cys Asn Asp Leu
Cys Asn Glu Val
Cys Asn Ile Asp
Cys Asn Leu Asp
Cys Asn Met Pro
Cys Asn Asn Asn
Cys Asn Pro Met
Cys Asn Val Glu
Cys Pro Met Asn
Cys Pro Asn Met
Cys Gln Asp Val
Cys Gln Val Asp
Cys Val Asp Gln
Cys Val Glu Asn
Cys Val Asn Glu
Cys Val Gln Asp
Asp Ala Met Gln
Asp Ala Gln Met
Asp Cys Ile Asn
Asp Cys Leu Asn
Asp Cys Asn Ile
Asp Cys Asn Leu
Asp Cys Gln Val
Asp Cys Val Gln
Asp Asp Asn Thr
Asp Asp Gln Ser
Asp Asp Ser Gln
Asp Asp Thr Asn
Asp Glu Asn Ser
Asp Glu Ser Asn
Asp Gly Ser Trp
Asp Gly Trp Ser
Asp Ile Cys Asn
Asp Ile Asn Cys
Asp Leu Cys Asn
Asp Leu Asn Cys
Asp Met Ala Gln
Asp Met Gln Ala
Asp Asn Cys Ile
Asp Asn Cys Leu
Asp Asn Asp Thr
Asp Asn Glu Ser
Asp Asn Ile Cys
Asp Asn Leu Cys
Asp Asn Ser Glu
Asp Asn Thr Asp
Asp Gln Ala Met
Asp Gln Cys Val
Asp Gln Asp Ser
Asp Gln Met Ala
Asp Gln Ser Asp
Asp Gln Val Cys
Asp Ser Asp Gln
Asp Ser Glu Asn
Asp Ser Gly Trp
Asp Ser Asn Glu
Asp Ser Gln Asp
Asp Ser Trp Gly
Asp Thr Asp Asn
Asp Thr Asn Asp
Asp Val Cys Gln
Asp Val Gln Cys
Asp Trp Gly Ser
Asp Trp Ser Gly
Glu Ala Met Asn
Glu Ala Asn Met
Glu Cys Asn Val
Glu Cys Val Asn
Glu Asp Asn Ser
Glu Asp Ser Asn
Glu Gly Met Gln
Glu Gly Gln Met
Glu Met Ala Asn
Glu Met Gly Gln
Glu Met Asn Ala
Glu Met Gln Gly
Glu Asn Ala Met
Glu Asn Cys Val
Glu Asn Asp Ser
Glu Asn Met Ala
Glu Asn Ser Asp
Glu Asn Val Cys
Glu Gln Gly Met
Glu Gln Met Gly
Glu Ser Asp Asn
Glu Ser Asn Asp
Glu Val Cys Asn
Glu Val Asn Cys
Gly Asp Ser Trp
Gly Asp Trp Ser
Gly Glu Met Gln
Gly Glu Gln Met
Gly Met Glu Gln
Gly Met Gln Glu
Gly Gln Glu Met
Gly Gln Met Glu
Gly Ser Asp Trp
Gly Ser Trp Asp
Gly Trp Asp Ser
Gly Trp Ser Asp
Ile Cys Asp Asn
Ile Cys Asn Asp
Ile Asp Cys Asn
Ile Asp Asn Cys
Ile Asn Cys Asp
Ile Asn Asp Cys
Leu Cys Asp Asn
Leu Cys Asn Asp
Leu Asp Cys Asn
Leu Asp Asn Cys
Leu Asn Cys Asp
Leu Asn Asp Cys
Met Ala Asp Gln
Met Ala Glu Asn
Met Ala Asn Glu
Met Ala Gln Asp
Met Cys Asn Pro
Met Cys Pro Asn
Met Asp Ala Gln
Met Asp Gln Ala
Met Glu Ala Asn
Met Glu Gly Gln
Met Glu Asn Ala
Met Glu Gln Gly
Met Gly Glu Gln
Met Gly Gln Glu
Met Asn Ala Glu
Met Asn Cys Pro
Met Asn Glu Ala
Met Asn Pro Cys
Met Pro Cys Asn
Met Pro Asn Cys
Met Gln Ala Asp
Met Gln Asp Ala
Met Gln Glu Gly
Met Gln Gly Glu
Asn Ala Glu Met
Asn Ala Met Glu
Asn Cys Asp Ile
Asn Cys Asp Leu
Asn Cys Glu Val
Asn Cys Ile Asp
Asn Cys Leu Asp
Asn Cys Met Pro
Asn Cys Asn Asn
Asn Cys Pro Met
Asn Cys Val Glu
Asn Asp Cys Ile
Asn Asp Cys Leu
Asn Asp Asp Thr
Asn Asp Glu Ser
Asn Asp Ile Cys
Asn Asp Leu Cys
Asn Asp Ser Glu
Asn Asp Thr Asp
Asn Glu Ala Met
Asn Glu Cys Val
Asn Glu Asp Ser
Asn Glu Met Ala
Asn Glu Ser Asp
Asn Glu Val Cys
Asn Ile Cys Asp
Asn Ile Asp Cys
Asn Leu Cys Asp
Asn Leu Asp Cys
Asn Met Ala Glu
Asn Met Cys Pro
Asn Met Glu Ala
Asn Met Pro Cys
Asn Asn Cys Asn
Asn Asn Asn Cys
Asn Pro Cys Met
Asn Pro Met Cys
Asn Ser Asp Glu
Asn Ser Glu Asp
Asn Thr Asp Asp
Asn Val Cys Glu
Asn Val Glu Cys
Pro Cys Met Asn
Pro Cys Asn Met
Pro Met Cys Asn
Pro Met Asn Cys
Pro Asn Cys Met
Pro Asn Met Cys
Gln Ala Asp Met
Gln Ala Met Asp
Gln Cys Asp Val
Gln Cys Val Asp
Gln Asp Ala Met
Gln Asp Cys Val
Gln Asp Asp Ser
Gln Asp Met Ala
Gln Asp Ser Asp
Gln Asp Val Cys
Gln Glu Gly Met
Gln Glu Met Gly
Gln Gly Glu Met
Gln Gly Met Glu
Gln Met Ala Asp
Gln Met Asp Ala
Gln Met Glu Gly
Gln Met Gly Glu
Gln Ser Asp Asp
Gln Val Cys Asp
Gln Val Asp Cys
Ser Asp Asp Gln
Ser Asp Glu Asn
Ser Asp Gly Trp
Ser Asp Asn Glu
Ser Asp Gln Asp
Ser Asp Trp Gly
Ser Glu Asp Asn
Ser Glu Asn Asp
Ser Gly Asp Trp
Ser Gly Trp Asp
Ser Asn Asp Glu
Ser Asn Glu Asp
Ser Gln Asp Asp
Ser Trp Asp Gly
Ser Trp Gly Asp
Thr Asp Asp Asn
Thr Asn Asp Asp
Val Cys Asp Gln
Val Cys Glu Asn
Val Cys Asn Glu
Val Cys Gln Asp
Val Asp Cys Gln
Val Asp Gln Cys
Val Glu Cys Asn
Val Glu Asn Cys
Val Asn Cys Glu
Val Asn Glu Cys
Val Gln Cys Asp
Val Gln Asp Cys
Trp Asp Gly Ser
Trp Asp Ser Gly
Trp Gly Asp Ser
Trp Gly Ser Asp
Trp Ser Asp Gly
Trp Ser Gly Asp
4-[(5-Amino-1-methyl-1H-indol-3-yl)methyl]-3-methoxy-N-[(2-methylphenyl)sulfonyl]benzamide
Pinotin A aglycone
Isopeonidin 3-galactoside
Isopeonidin 3-glucoside
Moricizine hydrochloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers C78274 - Agent Affecting Cardiovascular System > C47793 - Antiarrhythmic Agent D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators C93038 - Cation Channel Blocker
4-Nitrophenyl 2-O-α-D-Glucopyranosyl-α-D-glucopyranoside
N-(5-chloro-2-methylphenyl)-4-[(5-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
Amodiaquin dihydrochloride dihydrate
C20H22ClN3O .2H2O .2HCl (463.1196)
Setileuton
C471 - Enzyme Inhibitor > C1322 - Lipooxygenase Inhibitor
4-Nitrophenyl 6-O-(a-D-glucopyranosyl)-b-D-glucopyranoside
2(1H)-QUINOLINETHIONE, 7-[4-[4-(2,3-DICHLOROPHENYL)-1-PIPERAZINYL]BUTOXY]-3,4-DIHYDRO-
4-Nitrophenyl2-O-(a-D-mannopyranosyl)-a-D-mannopyranoside
3-[[9,10-dihydro-4-(methylamino)-9,10-dioxo-1-anthryl]aminopropyl]trimethylammonium methyl sulphate
2-[N-(2-cyanoethyl)-4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylanilino]ethyl acetate
4-Nitrophenyl 2-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
1-((4-CHLOROPHENYL)SULFONYL)-4-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIDIN-2-YL)PIPERAZINE
ETHYL 5-(2,4-BIS(BENZYLOXY)-5-CHLOROPHENYL)ISOXAZOLE-3-CARBOXYLATE
2-ethoxyethyl [2-[(2-chloro-4-nitrophenyl)azo]-5-(diethylamino)phenyl]carbamate
N-(6-Methoxy-3-pyridinyl)-1,2-dimethyl-N-{[5-(2-methylphenyl)-2-p yridinyl]methyl}-1H-imidazole-4-sulfonamide
N-(4-chloro-2-methylphenyl)-4-[(4-chloro-2-methylphenyl)azo]-3-hydroxynaphthalene-2-carboxamide
4-Nitrophenyl3-O-(b-D-glucopyranosyl)-b-D-glucopyranoside
4-nitrophenyl 3-o-(a-d-mannopyranosyl)-a-d-mannopyranoside
(2R,5S,13aR)-8-methoxy-7,9-dioxo-N-(2,4,6-trifluorobenzyl)-2,3,4,5,7,9,13,13a-octahydro-2,5-methanopyrido[1,2:4,5]pyrazino[2,1-b][1,3]oxazepine-10-carboxamide
2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranuronosyloxy)-5,7-dihydroxy-1-benzopyrylium
Pelitrexol
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2692 - Glycinamide Ribonucleotide Formyltransferase Inhibitor
1-(diaminomethylidene)-3-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]urea; 2,4,6-trinitrophenol
Berzosertib
C274 - Antineoplastic Agent > C2189 - Signal Transduction Inhibitor > C129824 - Antineoplastic Protein Inhibitor C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C61074 - Serine/Threonine Kinase Inhibitor C471 - Enzyme Inhibitor > C129825 - Antineoplastic Enzyme Inhibitor
3-[[(2,4-Dinitrophenyl)-oxomethyl]amino]benzoic acid [2-(4-methylphenyl)-2-oxoethyl] ester
FM19G11 is a hypoxia-inducible factor-1-alpha (HIF-1α) inhibitor, and it inhibits hypoxia-induced luciferase activity with an IC50 of 80 nM in HeLa cells. FM19G11 modulates other signaling pathways, including mTOR and PI3K/Akt/eNOS, when the HIF-1α pathway is inactivated under normoxic conditions[1][2].
N-(4-methyl-5-oxo-2-[1]benzopyrano[4,3-b]pyridinyl)-4-(1-pyrrolidinylsulfonyl)benzamide
[(2R,3S,4R,5R,6R)-5-Acetamido-4,6-dihydroxy-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl hydrogen sulfate
5-Fluoro-N-((1S)-1-phenylpropyl)-2-((quinolin-8-ylsulfonyl)amino)benzamide
2-Methylthio-N6-isopentenyl-adenosine-5-monophosphate
Amodiaquin dihydrochloride dihydrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents C254 - Anti-Infective Agent > C276 - Antiparasitic Agent > C277 - Antiprotozoal Agent
Peonidin 3-galactoside
Peonidin 3-galactoside is a member of the class of compounds known as anthocyanidin-3-o-glycosides. Anthocyanidin-3-o-glycosides are phenolic compounds containing one anthocyanidin moiety which is O-glycosidically linked to a carbohydrate moiety at the C3-position. Peonidin 3-galactoside is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Peonidin 3-galactoside can be found in a number of food items such as mango, red raspberry, rubus (blackberry, raspberry), and bilberry, which makes peonidin 3-galactoside a potential biomarker for the consumption of these food products.
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-olate
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-8-methylsulfanyl-N-sulfooxyoctanimidothioate
(4S,4aS,5aS,6S,12aR)-2-carbamoyl-7-chloro-4-(dimethylazaniumyl)-6,10,12a-trihydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-1,11-diolate
1-[2-[5-[(3-Amino-3-carboxypropyl)amino]-3-carboxy-3-hydroxy-5-oxopentanoyl]oxyethyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
1-[3-[[5-(2-Aminoethoxy)-3-carboxy-3-hydroxy-5-oxopentanoyl]amino]-1-carboxypropyl]-2-hydroxy-5-oxopyrrolidine-2-carboxylic acid
bis(5-amino-4,8-dioxo-1,3,2-dioxazocan-2-yl) 2-aminopentanedioate
3-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-5,7-diol
7-[[1-Amino-2-(2-amino-1,3-thiazol-5-yl)-2-methoxyethylidene]amino]-3-[(1-methylpyrrol-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
4-[(7-Chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;hydron;dichloride;dihydrate
D000890 - Anti-Infective Agents > D000977 - Antiparasitic Agents > D000981 - Antiprotozoal Agents
3-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methylbenzamide
4-(3-{2-[(ethoxycarbonyl)amino]-10H-phenothiazin-10-yl}-3-oxopropyl)morpholin-4-ium chloride
D002317 - Cardiovascular Agents > D026941 - Sodium Channel Blockers > D061567 - Voltage-Gated Sodium Channel Blockers D002317 - Cardiovascular Agents > D000889 - Anti-Arrhythmia Agents D049990 - Membrane Transport Modulators
2-[(1R,3R,4aS,9aR)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
beta-D-Galp6S-(1->4)-beta-D-GlcpNAc
An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 6-O-sulfo-beta-D-galactosyl residue attached at position 4.
2-[[6,6-dimethyl-2-(propan-2-ylthio)-5,8-dihydropyrano[2,3]thieno[2,4-b]pyrimidin-4-yl]thio]-N-(2-furanylmethyl)acetamide
2-[[3-(2,4-difluorophenyl)-4-oxo-2-quinazolinyl]thio]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
beta-D-Galp3S-(1->3-)-beta-D-GlcpNAc
An amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-beta-D-glucosaminyl residues in beta-(1->3) linkage.
N-(1,3-benzodioxol-5-yl)-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetamide
1-[2-[[[2-Chloro-4-(trifluoromethyl)anilino]-oxomethyl]amino]-2-methyl-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester
2-Ethoxy-3-pyridinecarboxylic acid [2-[2-methyl-5-(4-morpholinylsulfonyl)anilino]-2-oxoethyl] ester
N-[2-[4-[(4-chlorophenyl)-oxomethyl]-1-piperazinyl]phenyl]-1,3-benzodioxole-5-carboxamide
(E)-3-[9-methyl-2-(4-methylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile
N-(1,3-benzodioxol-5-ylmethyl)-N-[2-(cyclohexylamino)-2-oxo-1-pyridin-4-ylethyl]-2,2,2-trifluoroacetamide
3-[2-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]spiro[6,7-dihydro-5H-1-benzothiophene-4,5-imidazolidine]-2,4-dione
2-chloro-N-[1-[oxo(10-phenothiazinyl)methyl]-4-piperidinyl]benzamide
2-[(1R,3R,4aR,9aS)-1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b]benzofuran-3-yl]acetic acid methyl ester
beta-D-Galp3S-(1->3-)-alpha-D-GalpNAc
An amino disaccharide composed of 3-sulfated beta-D-galactose and N-acetyl-alpha-D-galactosaminyl residues in beta-(1->3) linkage.
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)benzamide
3-[(3aR,4S,9bR)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
N-[[(2R,3S)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-4-methoxy-N-methylbenzenesulfonamide
3-[(3aS,4S,9bS)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
1-[(2S,3S,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3R,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2S,3R,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)oxan-3-yl]-3-(2-methoxyphenyl)urea
1-[(2S,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
N-[2-[(2S,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2R,5R,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2S,5R,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
3-[(3aS,4R,9bS)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
(6R,7S,8S)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7S,8R)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6R,7S,8R)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
1-[(2S,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3S,6R)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3S,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
1-[(2R,3R,6S)-6-[2-(benzenesulfonamido)ethyl]-2-(hydroxymethyl)-3-oxanyl]-3-(2-methoxyphenyl)urea
N-[2-[(2R,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2S,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2R,5R,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2S,5S,6R)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
N-[2-[(2R,5S,6S)-6-(hydroxymethyl)-5-[(4-methoxyphenyl)sulfonylamino]-2-oxanyl]ethyl]-2-(2-pyridinyl)acetamide
3-[(3aR,4R,9bR)-1-(4-fluorophenyl)sulfonyl-4-(hydroxymethyl)-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-8-yl]benzonitrile
(6R,7R,8S)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6R,7R,8R)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7R,8R)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7R,8S)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
(6S,7S,8S)-N-(4-fluorophenyl)-7-[4-(3-fluorophenyl)phenyl]-8-(hydroxymethyl)-2-oxo-1,4-diazabicyclo[4.2.0]octane-4-carboxamide
beta-D-Galp3S-(1->4)-beta-D-GlcpNAc
An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 3-sulfated beta-D-galactosyl residue attached at position 4.
beta-D-Galp4S-(1->4)-beta-D-GlcpNAc
An amino disaccharide that consists of N-acetyl-beta-D-glucosamine having a 4-O-sulfo-beta-D-galactosyl residue attached at position 4.
2-acetamido-2-deoxy-3-O-(6-O-sulfo-beta-D-glucosyl)-beta-D-galactose
An amino disaccharide consisting of N-acetyl-beta-D-galactosamine having a 6-O-sulfo-beta-D-glucosyl residue attached at the 3-position.
6-(N-acetyl-D-glucosaminyl-1-phosphono)-D-mannose
A mannose phosphate that is D-mannose phosphorylated at position 6 by a N-acetyl-D-glucosaminyl-1-phosphono group. Found in the milk of giant pandas.
2,2-dimethylpropanoyloxymethyl (2S,5S,6R)-6-[[(2R)-2-amino-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
3,4,5-Trihydroxy-6-[2-hydroxy-5-(3,5,7-trihydroxychromenylium-2-yl)phenoxy]oxane-2-carboxylic acid
6-[2-(3,4-Dihydroxyphenyl)-3,5-dihydroxychromenylium-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
N-(3-chloro-4-fluorophenyl)-6-[3-(4-hydroxymorpholin-4-ium-4-yl)propoxy]-7-methoxyquinazolin-4-amine
(E)-3-(2,4-dichlorophenyl)-N-[(3R)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]prop-2-enamide
D002317 - Cardiovascular Agents > D026902 - Potassium Channel Blockers D049990 - Membrane Transport Modulators
myricitrin(1-)
A flavonoid oxoanion that is the conjugate base of myricitrin arising from selective deprotonation of the 7-hydroxy group; major species at pH 7.3.
4-nitrophenyl beta-sophoroside
A disaccharide derivative consisting of 4-nitrophenyl beta-D-glucoside having a beta-D-glucosyl residue attached at the 2-position.
quercetin 3-O-beta-D-glucopyranoside(1-)
A flavonoid oxoanion resulting from the deprotonation of the hydroxy group at position 7 of the flavone moiety of quercetin. The major species at pH 7.3.
Peonidin 3-O-beta-D-glucoside
An anthocyanin cation that is the 3-O-beta-D-glucoside of peonidin (methylcyanidin).
CD73-IN-4
CD73-IN-4 is a potent and selective methylenephosphonic acid CD73 inhibitor, with an IC50 of 2.6 nM for human CD73. CD73-IN-4 is potential for the research of cancer immunology[1].
ERK1/2 inhibitor 7
ERK1/2 inhibitor 7 is a potent ERK inhibitor with an IC50 of 0.94 nM for ERK2 (WO2021110168A1, WX006)[1].
MGL-IN-1
MGL-IN-1 is a potent and selective irreversible MGL (β-lactam-based monoacylglycerol lipase) inhibitor. MGL-IN-1 alleviates symptoms in a MS model in vivo and exhibits analgesic effects in an acute inflammatory pain model in vivo. MGL-IN-1 displays high membrane permeability and brain penetrant[1].