Exact Mass: 532.1345668
Exact Mass Matches: 532.1345668
Found 188 metabolites which its exact mass value is equals to given mass value 532.1345668,
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)
3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
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
Flavonol 3-O-D-xylosylglycoside; Flavonol 3-O-[D-xylosyl-(1->2)-beta-D-glycoside]; Flavonol 3-[beta-D-xylosyl-(1->2)-beta-D-glycoside]
6'-Malonyltrifolirhizin
3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0²,¹⁰.0⁴,⁸.0¹³,¹⁸]icosa-2,4(8),9,13(18),14,16-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid
6-Malonyltrifolirhizin is found in pulses. 6-Malonyltrifolirhizin is a constituent of Cicer arietinum (chickpea).
6'-O-Malonylglycitin
3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid
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
2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
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
[5-(Acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetic acid
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
[5-(Acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetic acid
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.
Cfda-AM
{[3,6-bis(acetyloxy)-3-oxo-3H-spiro[2-benzofuran-1,9-xanthene]-5-yl]carbonyloxy}methyl acetic acid
Isoscutellarein 4-methyl ether 8-(6-n-butylglucuronide)
5,7-Dihydroxy-2- (4-methoxyphenyl) -4-oxo-4H-1-benzopyran-8-yl beta-D-glucopyranosiduronic acid butyl ester
2-O-(2-Methylbutyryl)orientin
2- (3,4-Dihydroxyphenyl) -5,7-dihydroxy-8- [ 2-O- (2-methylbutyryl) -beta-D-glucopyranosyl ] -4H-1-benzopyran-4-one
6,7,3,4-Tetrahydroxyaurone 6-(4,6-diacetylglucoside)
6,7,3,4-Tetrahydroxyaurone 6-(4,6-diacetylglucoside)
Apigenin 7-methyl ether 5-(6-malonylglucoside)
5,4-Dihydroxy-7-methoxyflavone 5- (6"-malonylglucoside)
Luteolin 7-[6-(2-methylbutyryl)glucoside]
2- (3,4-Dihydroxyphenyl) -5-hydroxy-7- [ [ 6-O- (2-methyl-1-oxobutyl) -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one
4-Hydroxyrottlerin
(E) -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
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl- (1->3) -xyloside
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl- (1->3) -xyloside
6,7,3,4-Tetrahydroxyaurone 6- (4',6'-diacetylglucoside)
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
(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
(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)
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
acacetin 7-O-beta-(6-O-malonylglucopyranoside)|acacetin-7-O-glucoside-6-O-malonyl ester
6-gamma,gamma-dimethylallylquercetin 7-O-beta-D-glucoside
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
5-methoxy-6-methyl-7-[O-beta-D-glucopyranoside]- 8-aldehydo-3-(3,4-methylenedioxybenzyl)chroman-4-one|ophiopogoside B
6'-O-Malonylglycitin
3-oxo-3-{[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl]oxy}oxan-2-yl]methoxy}propanoic acid
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.
5,7-Dihydroxy-4-methoxy-5-malonyl-7-beta-glucosyl-isoflavon
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
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
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
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
6-C-beta-D-glucopyranosyl-8-C-alpha-L-arabinosylapigenin|schaftside
6-C-beta-D-glucopyranosyl-8-C-alpha-L-arabinosylapigenin|schaftside
6-C-alpha-L-arabinosyl-8-C-beta-D-glucopyranosylapigenin
6-C-alpha-L-arabinosyl-8-C-beta-D-glucopyranosylapigenin
emodin 8-O-beta-D-(6-methylmalonyl)-glucopyranoside|polyganin A
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
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
1-O-(E)-feruloyl-(beta-<1->2>-glucuronosyl)-beta-glucose|1-O-(E)-feruloyl-[beta-(1->2)-glucuronosyl]-beta-glucose
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside
5,7-Dihydroxy-6-C-methylflavone 7-xylosyl-(1->3)-xyloside
[(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
NCGC00380792-01![(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
NCGC00169928-02_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
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]
NCGC00380792-01![(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]
NCGC00380792-01![(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]
Asp His Met Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
Asp Met His Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid
Asp Met Met His
(3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
His Asp Met Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanoic acid
His Met Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
His Met Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Met Asp His Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-carboxypropanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanoic acid
Met Asp Met His
(3S)-3-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
Met His Asp Met
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-3-carboxypropanamido]-4-(methylsulfanyl)butanoic acid
Met His Met Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]-4-(methylsulfanyl)butanamido]butanedioic acid
Met Met Asp His
(3S)-3-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-(1H-imidazol-4-yl)ethyl]carbamoyl}propanoic acid
Met Met His Asp
(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-(methylsulfanyl)butanamido]-3-(1H-imidazol-4-yl)propanamido]butanedioic acid
2'',6''-Diacetylorientin
[5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-8-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
Isoorientin 2'',6''-diacetate
[5-(acetyloxy)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-6-yl]-3,4-dihydroxyoxan-2-yl]methyl acetate
6'-Malonyltrifolirhizin
3-oxo-3-[(3,4,5-trihydroxy-6-{5,7,11,19-tetraoxapentacyclo[10.8.0.0^{2,10}.0^{4,8}.0^{13,18}]icosa-2,4(8),9,13,15,17-hexaen-16-yloxy}oxan-2-yl)methoxy]propanoic acid
Sesaminol glucoside
2-({6-[4-(2H-1,3-benzodioxol-5-yl)-hexahydrofuro[3,4-c]furan-1-yl]-2H-1,3-benzodioxol-5-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol
7-Acetoxy-7,8-dihydroiodovulone I
methyl 7S-acetoxy-9-oxo-10-iodo-12S-hydroxy-5Z,10Z,13Z-prostatrienoate-cyclo[8R,12]
7-Acetoxy-7,8-dihydroiodovulone II
methyl 7S-acetoxy-9-oxo-10-iodo-12S-hydroxy-5E,10Z,13Z-prostatrienoate-cyclo[8R,12]
4-NITROBENZYL (2S,4S)-4-ACETYLTHIO-2-((N-SULFAMOYL-N-(TERT-BUTOXYCARBONYL)AMINO)METHYL)PYRROLIDINE-1-CARBOXYLATE
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
n6-(6-aminohexyl)adenosine 2,5-diphosphate lithium salt
bis(trimethylsilyl)tributyltinphosphate
bis(trimethylsilyl)tributyltinphosphate
C18H45O4PSi2Sn (532.1615850000001)
Regrelor
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
2-Hydroxystilbamidine isethionate
C20H28N4O9S2 (532.1297638000001)
Pirbenicillin sodium
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
N2,N7-Bis(2,5-dimethylphenyl)-9H-fluorene-2,7-disulfonamide
C29H28N2O4S2 (532.1490408000001)
[hydroxy-[(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxyphosphoryl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
[hydroxy-[(2R,4R,5S)-4-hydroxy-4-(hydroxymethyl)-5-methyloxolan-2-yl]oxyphosphoryl] [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl hydrogen phosphate
[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
[(2R,4R,5R,6S)-4,5-dihydroxy-6-methyloxan-2-yl] [hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate
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
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
(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-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide
2-(2-chlorophenyl)-N-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]phenyl]-4-quinolinecarboxamide
C27H21ClN4O4S (532.0971976000001)
2-(2-chlorophenyl)-N-[3-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-4-quinolinecarboxamide
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
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
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-[(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-[(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
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
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-[(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
3-chloro-N-[(2S)-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,3R)-3-methoxy-2-methyl-4-[methyl-(4-methylphenyl)sulfonylamino]butyl]benzenesulfonamide
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,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-[(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
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)
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-[(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
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)-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,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)
flavonol 3-O-D-xylosyl-D-glucoside
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
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
6-[4-[6-Carboxy-5-(2,6-dihydroxyphenyl)-3-methylcyclohex-3-en-1-yl]-3-hydroxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
[4-[(E)-3-hydroxy-3-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-1-enyl]phenyl] hydrogen sulate
[4-[(E)-3-hydroxy-3-[2,4,6-trihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-1-enyl]phenyl] hydrogen sulate
8-[1-(2,4-dihydroxyphenyl)-2-hydroxy-3-(3-hydroxyphenyl)propyl]-2-(3-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
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
(2S,3S,4S,5R)-6-[(4-acetamidophenyl)sulfonyl-(2-phenylpyrazol-3-yl)amino]-3,4,5-trihydroxyoxane-2-carboxylic acid
malonylglycitin
malonylglycitin
A glycosyloxyisoflavone that is glycitin substituted by a malonyl group at position 6.
sesaminol 2-O-beta-D-glucoside
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
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-)
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.
(1s,14r)-4,9,19-trihydroxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8(26),9,11,16,18,20(25)-heptaen-24-yl acetate
(1s,14r)-4,9,19-trihydroxy-11,17-dimethyl-3,7,15,21-tetraoxo-6,22-dioxaheptacyclo[12.9.1.1¹,¹⁶.1⁴,⁸.0²,¹³.0¹²,²⁶.0²⁰,²⁵]hexacosa-2(13),8(26),9,11,16,18,20(25)-heptaen-24-yl acetate
(3,4-dihydroxy-6-methyloxan-2-yl)oxy([hydroxy([(2r,3r)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxy)phosphinic acid
(3,4-dihydroxy-6-methyloxan-2-yl)oxy([hydroxy([(2r,3r)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxy)phosphinic acid
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylate
(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl 6-{[(2s,3r,4r,5r,6s)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}phenazine-1-carboxylate
(2s,3s,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2r)-2-methylbutanoate
(2s,3s,4s,5r,6r)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl (2r)-2-methylbutanoate
[(2r,3s,4r,5r,6s)-3-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl acetate
[(2r,3s,4r,5r,6s)-3-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-4,5-dihydroxyoxan-2-yl]methyl acetate
4,12-bis(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-8,11-diol
4,12-bis(3,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-5,13-dioxatricyclo[7.4.0.0²,⁶]trideca-1(9),2(6),7-triene-8,11-diol
[3-(acetyloxy)-6-({2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl acetate
[3-(acetyloxy)-6-({2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl}oxy)-4,5-dihydroxyoxan-2-yl]methyl acetate
[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl acetate
[(2r,3r,4s,5r,6s)-4-(acetyloxy)-6-{[(2z)-2-[(3,4-dihydroxyphenyl)methylidene]-7-hydroxy-3-oxo-1-benzofuran-6-yl]oxy}-3,5-dihydroxyoxan-2-yl]methyl acetate
5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.0²,⁷]tetradeca-7,9,12-trien-14-yl 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
5-methyl-3,4,6-trioxo-11-oxa-2,5-diazatricyclo[7.5.0.0²,⁷]tetradeca-7,9,12-trien-14-yl 3-(5-formyl-2-hydroxyphenoxy)-4-methoxybenzoate
10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
10-[(3-acetyl-2,4,6-trihydroxy-5-methylphenyl)methyl]-5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-2h,3h-pyrano[3,2-g]chromen-4-one
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
3-oxo-3-[(3,4,5-trihydroxy-6-{[3-(4-hydroxyphenyl)-6-methoxy-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
3-oxo-3-[(3,4,5-trihydroxy-6-{[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl)methoxy]propanoic acid
[(4s,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy([hydroxy([(2r,3s,5r)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxy)phosphinic acid
[(4s,5r,6s)-4,5-dihydroxy-6-methyloxan-2-yl]oxy([hydroxy([(2r,3s,5r)-3-hydroxy-5-(4-hydroxy-5-methyl-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy)phosphoryl]oxy)phosphinic acid
(3e)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one
(3e)-4-[(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2h-1,3-benzodioxol-5-yl)methylidene]oxolan-2-one
5,6,8-trihydroxy-2-methyl-9-[(2s)-5,6,8-trihydroxy-2-(hydroxymethyl)-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]benzo[g]chromen-4-one
5,6,8-trihydroxy-2-methyl-9-[(2s)-5,6,8-trihydroxy-2-(hydroxymethyl)-4-oxo-2h,3h-naphtho[2,3-b]pyran-9-yl]benzo[g]chromen-4-one
4-oxo-4-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}butanoic acid
4-oxo-4-{[(2r,3s,4s,5r,6s)-3,4,5-trihydroxy-6-{[5-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy}oxan-2-yl]methoxy}butanoic acid