Exact Mass: 532.1580688
Exact Mass Matches: 532.1580688
Found 272 metabolites which its exact mass value is equals to given mass value 532.1580688
,
within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error
0.01 dalton.
Biochanin A 7-(6-malonylglucoside)
Biochanin A 7-(6-malonylglucoside) is found in herbs and spices. Biochanin A 7-(6-malonylglucoside) is isolated from leaves of Trifolium pratense (red clover
Flavonol 3-O-D-xylosylglycoside
6'-Malonyltrifolirhizin
6-Malonyltrifolirhizin is found in pulses. 6-Malonyltrifolirhizin is a constituent of Cicer arietinum (chickpea).
6'-O-Malonylglycitin
Present in soy foods. Potential nutriceutical. 6-Malonylglycitin is found in many foods, some of which are soy milk, pulses, miso, and soy sauce. 6-O-Malonylglycitin is found in miso. 6-O-Malonylglycitin is present in soy foods. Potential nutriceutical.
Sesaminol glucoside
Sesaminol glucoside is found in cereals and cereal products. Sesaminol glucoside is a constituent of sesame seed. Constituent of sesame seed. Sesaminol glucoside is found in cereals and cereal products.
2',6'-Diacetylorientin
2,6-Diacetylorientin is found in herbs and spices. 2,6-Diacetylorientin is isolated from Rumex acetosa (sorrel). Isolated from Rumex acetosa (sorrel). 2,6-Diacetylorientin is found in herbs and spices and sorrel.
2',6'-Di-O-acetylisoorientin
2,6-Di-O-acetylisoorientin is found in green vegetables. 2,6-Di-O-acetylisoorientin is isolated from sorrel leaves (Rumex acetosa). Isolated from sorrel leaves (Rumex acetosa). 2,6-Diacetylisoorientin is found in green vegetables and sorrel.
3-[3-[4-[5-(2-Carboxyethyl)-2-hydroxyphenyl]-1,4-bis(carboxymethylamino)butyl]-4-hydroxyphenyl]propanoic acid
Plevitrexed
C26H25FN8O4 (532.1982701999999)
Isoscutellarein 4-methyl ether 8-(6-n-butylglucuronide)
2-O-(2-Methylbutyryl)orientin
6,7,3,4-Tetrahydroxyaurone 6-(4,6-diacetylglucoside)
Apigenin 7-methyl ether 5-(6-malonylglucoside)
Luteolin 7-[6-(2-methylbutyryl)glucoside]
4-Hydroxyrottlerin
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl- (1->3) -xyloside
6,7,3,4-Tetrahydroxyaurone 6- (4',6'-diacetylglucoside)
(5aS,6S)-2-Methyl-1,3,4-trioxo-1,2,3,4,5a,6-hexahydrooxepino[3,4:4,5]pyrrolo[1,2-a]pyrazin-6-yl 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
(5E,7R,8R,14Z)-7-Acetoxy-10-iodo-12-hydroxy-9-oxoprosta-5,10,14-triene-1-oic acid methyl ester
5,4-dihydroxy-3-methoxyflavone-7-O-6-n-butyryl-beta-D-glucopyranoside|luteolin-3-O-methyl-7-O-(6-butyryl-beta-glucopyranoside)
acacetin 7-O-beta-(6-O-malonylglucopyranoside)|acacetin-7-O-glucoside-6-O-malonyl ester
6-gamma,gamma-dimethylallylquercetin 7-O-beta-D-glucoside
5-methoxy-6-methyl-7-[O-beta-D-glucopyranoside]- 8-aldehydo-3-(3,4-methylenedioxybenzyl)chroman-4-one|ophiopogoside B
6'-O-Malonylglycitin
Present in soy foods. Potential nutriceutical. 6-Malonylglycitin is found in many foods, some of which are soy milk, pulses, miso, and soy sauce. 6-O-Malonylglycitin is found in miso. 6-O-Malonylglycitin is present in soy foods. Potential nutriceutical.
(2E)-22-demethyl-2,3-didehydro-3-deoxy-maytansinol|(3E,5E,7R,84S,12E)-14-chloro-10t,11c-epoxy-84-hydroxy-15,7r-dimethoxy-3,9c,11t-trimethyl-(84rH,86cH)-15-aza-1(1,3)-benzena-8(4,6)-[1,3]oxazinana-cyclopentadecaphane-3,5,12-triene-82,14-dione|Normaysin|Normaysin (6)|normaysine
1alpha-acetoxy-6beta,9beta-difuroyloxy-2alpha,4beta-dihydroxy-dihydro-beta-agarofuran
5,7-Dihydroxy-4-methoxy-5-malonyl-7-beta-glucosyl-isoflavon
3,3-dioxo-6,11,6,11-tetrahydro-5H,5H-[2,2]bi[indolizino[8,7-b]indolylidene]-5,5-dicarboxylic acid|Trichotomin|Trichotomine
7,8-dihydroxy-5-methoxycoumarin-7-beta-sophoroside
1-[6-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5,7-dihydroxy-2,2-dimethylchromen-8-yl]-3-(4-hydroxyphenyl)prop-2-en-1-one
benzyl-7-O-(5-O-trans-cinnamoyl-beta-D-apiosyl)-(1->3)-beta-D-glucopyranoside
6-C-beta-D-glucopyranosyl-8-C-alpha-L-arabinosylapigenin|schaftside
6-C-alpha-L-arabinosyl-8-C-beta-D-glucopyranosylapigenin
emodin 8-O-beta-D-(6-methylmalonyl)-glucopyranoside|polyganin A
3-[gamma-hydroxymethyl-(z)-gamma-methylallyl]-2,4,2,4-tetrahydroxychalcone 11-O-ferulate|gemichalcone C
1-O-(E)-feruloyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-feruloyl-[beta-(1->2)-glucuronosyl]-beta-glucose
Asp His Phe Asp
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside
1-O-Deacetyl-2α-hydroxykhayanolide E
[(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
C25H24O13_(6aR,12aR)-6a,12a-Dihydro-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromen-3-yl 6-O-(carboxyacetyl)-beta-D-glucopyranoside
Isoflavone base + 2O + 1MeO, O-MalonylHex
Annotation level-3
[(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate [IIN-based on: CCMSLIB00000848815]
[(5aS,6S)-2-methyl-1,3,4-trioxo-5a,6-dihydrooxepino[1,2]pyrrolo[4,5-c]pyrazin-6-yl] 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate [IIN-based: Match]
Cys Phe Thr Tyr
C25H32N4O7S (532.1991601999999)
Cys Phe Tyr Thr
C25H32N4O7S (532.1991601999999)
Cys His His His
Cys Thr Phe Tyr
C25H32N4O7S (532.1991601999999)
Cys Thr Tyr Phe
C25H32N4O7S (532.1991601999999)
Cys Tyr Phe Thr
C25H32N4O7S (532.1991601999999)
Cys Tyr Thr Phe
C25H32N4O7S (532.1991601999999)
Asp Asp Phe His
Asp Asp His Phe
Asp Phe Asp His
Asp Phe His Asp
Asp His Asp Phe
Asp His Met Met
Asp Met His Met
Asp Met Met His
Phe Cys Thr Tyr
C25H32N4O7S (532.1991601999999)
Phe Cys Tyr Thr
C25H32N4O7S (532.1991601999999)
Phe Asp Asp His
Phe Asp His Asp
Phe His Asp Asp
Phe Thr Cys Tyr
C25H32N4O7S (532.1991601999999)
Phe Thr Tyr Cys
C25H32N4O7S (532.1991601999999)
Phe Tyr Cys Thr
C25H32N4O7S (532.1991601999999)
Phe Tyr Thr Cys
C25H32N4O7S (532.1991601999999)
Gly Met Tyr Tyr
C25H32N4O7S (532.1991601999999)
Gly Tyr Met Tyr
C25H32N4O7S (532.1991601999999)
Gly Tyr Tyr Met
C25H32N4O7S (532.1991601999999)
His Cys His His
His Asp Asp Phe
His Asp Phe Asp
His Asp Met Met
His Phe Asp Asp
His His Cys His
His His His Cys
His Met Asp Met
His Met Met Asp
Met Asp His Met
Met Asp Met His
Met Gly Tyr Tyr
C25H32N4O7S (532.1991601999999)
Met His Asp Met
Met His Met Asp
Met Met Asp His
Met Met His Asp
Met Tyr Gly Tyr
C25H32N4O7S (532.1991601999999)
Met Tyr Tyr Gly
C25H32N4O7S (532.1991601999999)
Thr Cys Phe Tyr
C25H32N4O7S (532.1991601999999)
Thr Cys Tyr Phe
C25H32N4O7S (532.1991601999999)
Thr Phe Cys Tyr
C25H32N4O7S (532.1991601999999)
Thr Phe Tyr Cys
C25H32N4O7S (532.1991601999999)
Thr Tyr Cys Phe
C25H32N4O7S (532.1991601999999)
Thr Tyr Phe Cys
C25H32N4O7S (532.1991601999999)
Tyr Cys Phe Thr
C25H32N4O7S (532.1991601999999)
Tyr Cys Thr Phe
C25H32N4O7S (532.1991601999999)
Tyr Phe Cys Thr
C25H32N4O7S (532.1991601999999)
Tyr Phe Thr Cys
C25H32N4O7S (532.1991601999999)
Tyr Gly Met Tyr
C25H32N4O7S (532.1991601999999)
Tyr Gly Tyr Met
C25H32N4O7S (532.1991601999999)
Tyr Met Gly Tyr
C25H32N4O7S (532.1991601999999)
Tyr Met Tyr Gly
C25H32N4O7S (532.1991601999999)
Tyr Thr Cys Phe
C25H32N4O7S (532.1991601999999)
Tyr Thr Phe Cys
C25H32N4O7S (532.1991601999999)
Tyr Tyr Gly Met
C25H32N4O7S (532.1991601999999)
Tyr Tyr Met Gly
C25H32N4O7S (532.1991601999999)
galactan
2'',6''-Diacetylorientin
Isoorientin 2'',6''-diacetate
6'-Malonyltrifolirhizin
Sesaminol glucoside
7-Acetoxy-7,8-dihydroiodovulone I
7-Acetoxy-7,8-dihydroiodovulone II
Plevitrexed
C26H25FN8O4 (532.1982701999999)
C274 - Antineoplastic Agent > C186664 - Cytotoxic Chemotherapeutic Agent > C272 - Antimetabolite C471 - Enzyme Inhibitor > C2021 - Thymidylate Synthase Inhibitor D000970 - Antineoplastic Agents
4-NITROBENZYL (2S,4S)-4-ACETYLTHIO-2-((N-SULFAMOYL-N-(TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE
C20H28N4O9S2 (532.1297638000001)
n6-(6-aminohexyl)adenosine 2,5-diphosphate lithium salt
bis(trimethylsilyl)tributyltinphosphate
C18H45O4PSi2Sn (532.1615850000001)
Oprozomib
C25H32N4O7S (532.1991601999999)
C274 - Antineoplastic Agent > C163758 - Targeted Therapy Agent > C2160 - Proteasome Inhibitor C471 - Enzyme Inhibitor
4,6-bis(3-(2-ethylhexyl)thien-2-yl)thieno[3,4-c][1,2,5]thiadiazole
C28H40N2S4 (532.2074200000001)
Regrelor
C22H25N6O8P (532.1471419999999)
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists
2-Hydroxystilbamidine isethionate
C20H28N4O9S2 (532.1297638000001)
Pirbenicillin sodium
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
N2,N7-Bis(2,5-dimethylphenyl)-9H-fluorene-2,7-disulfonamide
C29H28N2O4S2 (532.1490408000001)
3-oxo-3-[[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]oxan-2-yl]methoxy]propanoic acid
(2R,3R)-5,5,6,6,8,8-hexahydroxy-2,2,3-trimethyl-2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione
2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide
2-(4-Acetoxy-3-ethoxy-benzylidene)-7-methyl-3-oxo-5-styryl-2,3-dihydro-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
flavonol 3-O-D-xylosyl-D-galactoside
A glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-galactosyl residue at position 3 via a glycosidic linkage.
3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
2-[(3S,6aS,8R,10aS)-1-(3,5-dichlorobenzoyl)-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C27H30Cl2N2O5 (532.1531669999999)
3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
2-[(3R,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3R,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2S,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
2-[(3S,6aS,8R,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C27H30Cl2N2O5 (532.1531669999999)
2-[(3R,6aR,8R,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C27H30Cl2N2O5 (532.1531669999999)
(1S)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
3-chloro-N-[(2R)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-N-[(2R,3S)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
2-[(3R,6aR,8S,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3R,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aR,8R,10aR)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3S,6aS,8S,10aS)-3-hydroxy-1-(4-methylphenyl)sulfonyl-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
2-[(3R,6aR,8S,10aR)-1-[(3,5-dichlorophenyl)-oxomethyl]-3-hydroxy-3,4,6,6a,8,9,10,10a-octahydro-2H-pyrano[2,3-c][1,5]oxazocin-8-yl]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
C27H30Cl2N2O5 (532.1531669999999)
(1R)-N-(2-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
(1R)-N-(4-fluorophenyl)-1-[(2-fluorophenyl)-oxomethyl]-1-(hydroxymethyl)-7-methoxy-2-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3-azetidine]carboxamide
flavonol 3-O-D-xylosyl-D-glucoside
A glycosyloxyflavone that consists of flavonol attached to a D-xylosyl-D-glucosyl residue at position 3 via a glycosidic linkage.
7-(2-Hydroxy-3-amino-3-carboxypropyl)wyosine 5-monophosphate
6-[4-[6-Carboxy-5-(2,6-dihydroxyphenyl)-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
3,4,5-Trihydroxy-6-[[4-hydroxy-7-methoxy-2,2-dimethyl-6-(3-phenylpropanoyl)-3,4-dihydrochromen-5-yl]oxy]oxane-2-carboxylic acid
8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
(2S,3S,4S,5R)-6-[(4-acetamidophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
malonylglycitin
A glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6.
sesaminol 2-O-beta-D-glucoside
A beta-D-glucoside that is sesaminol in which the hydroxy group at position 5 is substituted by a beta-D-glucopyranoside group. A metabolite found in sesame seeds.
chaetochromin C
A biaryl that is 2,2,3,3-tetrahydro-4H,4H-9,9-bibenzo[g]chromene-4,4-dione substituted by hydroxy groups at positions 5, 5, 6, 6, 8 and 8 and methyl groups at positions 2, 2 and 3 (the 2R,3R stereoisomer). It has been isolated from Chaetomium gracile.
cercosporin(2-)
A phenolate anion resulting from the deprotonation of the two hydroxy groups at position 5 and 12 of cercosporin. Major microspecies at pH 7.3.