Exact Mass: 532.1668
Exact Mass Matches: 532.1668
Found 425 metabolites which its exact mass value is equals to given mass value 532.1668
,
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
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)
4-[(beta-D-glucopyranosyl)oxy]-2-(hydroxymethyl)-3-(3-methylbut-2-en-1-yl)phenyl beta-D-glucopyranoside|clemomandshuricoside C
(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
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
Cys Phe Thr Tyr
Cys Phe Tyr Thr
Cys His His His
Cys Pro Gln Trp
Cys Pro Trp Gln
Cys Gln Pro Trp
Cys Gln Trp Pro
Cys Thr Phe Tyr
Cys Thr Tyr Phe
Cys Trp Pro Gln
Cys Trp Gln Pro
Cys Tyr Phe Thr
Cys Tyr Thr Phe
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
Glu Glu Gln Gln
Glu Gln Glu Gln
Glu Gln Gln Glu
Phe Cys Thr Tyr
Phe Cys Tyr Thr
Phe Asp Asp His
Phe Asp His Asp
Phe His Asp Asp
Phe Thr Cys Tyr
Phe Thr Tyr Cys
Phe Tyr Cys Thr
Phe Tyr Thr Cys
Gly Met Tyr Tyr
Gly Tyr Met Tyr
Gly Tyr Tyr Met
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
Met His Asp Met
Met His Met Asp
Met Met Asp His
Met Met His Asp
Met Tyr Gly Tyr
Met Tyr Tyr Gly
Pro Cys Gln Trp
Pro Cys Trp Gln
Pro Gln Cys Trp
Pro Gln Trp Cys
Pro Trp Cys Gln
Pro Trp Gln Cys
Gln Cys Pro Trp
Gln Cys Trp Pro
Gln Glu Glu Gln
Gln Glu Gln Glu
Gln Pro Cys Trp
Gln Pro Trp Cys
Gln Gln Glu Glu
Gln Trp Cys Pro
Gln Trp Pro Cys
Thr Cys Phe Tyr
Thr Cys Tyr Phe
Thr Phe Cys Tyr
Thr Phe Tyr Cys
Thr Tyr Cys Phe
Thr Tyr Phe Cys
Trp Cys Pro Gln
Trp Cys Gln Pro
Trp Pro Cys Gln
Trp Pro Gln Cys
Trp Gln Cys Pro
Trp Gln Pro Cys
Tyr Cys Phe Thr
Tyr Cys Thr Phe
Tyr Phe Cys Thr
Tyr Phe Thr Cys
Tyr Gly Met Tyr
Tyr Gly Tyr Met
Tyr Met Gly Tyr
Tyr Met Tyr Gly
Tyr Thr Cys Phe
Tyr Thr Phe Cys
Tyr Tyr Gly Met
Tyr Tyr Met Gly
2'',6''-Diacetylorientin
Isoorientin 2'',6''-diacetate
6'-Malonyltrifolirhizin
Sesaminol glucoside
7-Acetoxy-7,8-dihydroiodovulone I
7-Acetoxy-7,8-dihydroiodovulone II
Plevitrexed
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
n6-(6-aminohexyl)adenosine 2,5-diphosphate lithium salt
Oprozomib
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
Onvansertib
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 > C177899 - PLK1 Inhibitor D004791 - Enzyme Inhibitors > D047428 - Protein Kinase Inhibitors
Regrelor
C78275 - Agent Affecting Blood or Body Fluid > C1327 - Antiplatelet Agent > C190801 - P2Y12 Inhibitor D018377 - Neurotransmitter Agents > D058905 - Purinergic Agents > D058914 - Purinergic Antagonists
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
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
longipedumin A
A lignan isolated from the roots and stems of Kadsura longipedunculata and has been shown to exhibit inhibitory activity against HIV-1 protease.
(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
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
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
(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
N-[[(2R,3S)-8-[3-(dimethylamino)prop-1-ynyl]-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-fluoro-N-methylbenzenesulfonamide
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
(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.
IPN60090
IPN-60090 is an orally active and highly selective inhibitor of glutaminase 1?(GLS1; IC50=31 nM), with no activity observed against GLS-2. IPN-60090 exhibits excellent physicochemical and pharmacokinetic properties in vivo. IPN-60090 can be used for solid tumors research, such as lung and ovarian cancers[1][2].