Exact Mass: 531.1139

Exact Mass Matches: 531.1139

Found 58 metabolites which its exact mass value is equals to given mass value 531.1139, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

SCHEMBL12732971

CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose

C15H23N3O14P2 (531.0655)


   

dTDP-3-amino-3,4,6-trideoxy-D-glucose

dTDP-3-amino-3,4,6-trideoxy-D-glucose; dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose

C16H27N3O13P2 (531.1019)


   

dTDP-beta-L-daunosamine

dTDP-β-L-daunosamine

C16H27N3O13P2 (531.1019)


A dTDP-sugar having beta-L-daunosamine as the sugar component.

   

dTDP-4-methylamino-2,4-dideoxy-beta-L-xylose

dTDP-4-methylamino-2,4-dideoxy-beta-L-xylose

C16H27N3O13P2 (531.1019)


   
   

dTDP-2,6-dideoxy-D-kanosamine

dTDP-2,6-dideoxy-D-kanosamine

C16H27N3O13P2 (531.1019)


   

CDP-4-dehydro-3,6-dideoxy-D-glucose epimer

CDP-4-dehydro-3,6-dideoxy-D-glucose epimer

C15H23N3O14P2 (531.0655)


   

N5-(cytidine 5-diphosphoramidyl)-L-glutamine

N5-(cytidine 5-diphosphoramidyl)-L-glutamine

C14H23N5O13P2 (531.0768)


   

Neoacrimarine I

1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3,6-dimethoxy-9,10-dihydroacridin-9-one

C29H25NO9 (531.1529)


Neoacrimarine I is found in citrus. Neoacrimarine I is an alkaloid from the roots of Citrus paradisi (grapefruit Alkaloid from the roots of Citrus paradisi (grapefruit). Neoacrimarine I is found in citrus.

   

Neoacrimarine F

1,6-dihydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0²,⁷]tetradeca-1(10),2(7),5,8-tetraen-14-yl}oxy)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

C29H25NO9 (531.1529)


Neoacrimarine F is found in citrus. Neoacrimarine F is an alkaloid from the roots of Citrus paradisi (grapefruit) x Citrus tangerina (tangerine

   

CHEMBL4437011

CHEMBL4437011

C29H25NO9 (531.1529)


   
   

Ezomycin B2|Ezomycin C2

Ezomycin B2|Ezomycin C2

C19H25N5O13 (531.1449)


   
   

4-Methoxyoxohernandaline

4-Methoxyoxohernandaline

C29H25NO9 (531.1529)


   
   

I-SAP

(Z)-[3S-[1alpha,2alpha,3beta,5alpha]]-7-[3-[[(4-iodophenyl)sulfonyl]amino]-6,6-dimethylbicyclo[3.1.1]hept-2-yl]-5-heptenoic acid

C22H30INO4S (531.094)


   

Neoacrimarine F

1,6-dihydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-14-yl}oxy)-3-methoxy-10-methyl-9,10-dihydroacridin-9-one

C29H25NO9 (531.1529)


   

Neoacrimarine I

1-hydroxy-5-({13-hydroxy-12,12-dimethyl-4-oxo-3,11-dioxatricyclo[8.4.0.0^{2,7}]tetradeca-1,5,7,9-tetraen-14-yl}oxy)-3,6-dimethoxy-9,10-dihydroacridin-9-one

C29H25NO9 (531.1529)


   

Exatecan (Mesylate)

Exatecan (Mesylate)

C25H26FN3O7S (531.1475)


   
   

3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole

3-(7-Bromo-9,9-dimethyl-9H-fluoren-2-yl)-9-(4-fluorophenyl)-9H-carbazole

C33H23BrFN (531.0998)


   

(6R,7R)-3-[(4-Carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

(6R,7R)-3-[(4-Carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

C22H19N4O8S2- (531.0644)


   

CP-547632

3-((4-Bromo-2,6-difluorobenzyl)oxy)-5-(3-(4-(pyrrolidin-1-yl)butyl)ureido)isothiazole-4-carboxamide

C20H24BrF2N5O3S (531.0751)


C471 - Enzyme Inhibitor > C1404 - Protein Kinase Inhibitor > C1967 - Tyrosine Kinase Inhibitor

   

Tris(2,2-bipyridine)copper(2+)

Tris(2,2-bipyridine)copper(2+)

C30H24CuN6+2 (531.1358)


   

dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose

dTDP-3-amino-3,4,6-trideoxy-alpha-D-glucose

C16H27N3O13P2 (531.1019)


   
   

CDP-4-dehydro-3,6-dideoxy-D-glucose

CDP-4-dehydro-3,6-dideoxy-D-glucose

C15H23N3O14P2 (531.0655)


   

CDP-3,6-dideoxy-alpha-D-glucose(2-)

CDP-3,6-dideoxy-alpha-D-glucose(2-)

C15H23N3O14P2-2 (531.0655)


   

CDP-3,6-dideoxy-alpha-D-mannose(2-)

CDP-3,6-dideoxy-alpha-D-mannose(2-)

C15H23N3O14P2-2 (531.0655)


   
   

Biochanin a 7-O-beta-D-glucoside 6-O-malonate

Biochanin a 7-O-beta-D-glucoside 6-O-malonate

C25H23O13- (531.1139)


   

trifolirhizin-6-O-malonat

trifolirhizin-6-O-malonat

C25H23O13- (531.1139)


   

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl] phosphate

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3R,5R,6S)-3,5-dihydroxy-6-methyloxan-2-yl] phosphate

C15H23N3O14P2-2 (531.0655)


   

cyclo-dopa glucuronosyl glucoside

cyclo-dopa glucuronosyl glucoside

C21H25NO15-2 (531.1224)


   

6-O-malonylswertisin

6-O-malonylswertisin

C25H23O13- (531.1139)


   

glycition 6-O-malonate

glycition 6-O-malonate

C25H23O13- (531.1139)


   

calycosin 7-O-(6-O-malonyl)glucoside

calycosin 7-O-(6-O-malonyl)glucoside

C25H23O13- (531.1139)


   

(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoic acid

(2R)-2-hydroxy-3-[hydroxy-[(2R,3S,4S)-2,3,4-trihydroxy-5-(2,4,8-trioxo-1H-pyrimido[4,5-b]quinolin-10-yl)pentoxy]phosphoryl]oxypropanoic acid

C19H22N3O13P (531.089)


   
   

gammaGluCys(IAN)Glu(2-)

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S-2 (531.1424)


   

CDP-3,6-dideoxy-D-mannose(2-)

CDP-3,6-dideoxy-D-mannose(2-)

C15H23N3O14P2-2 (531.0655)


   

CDP-3,6-dideoxy-D-glucose(2-)

CDP-3,6-dideoxy-D-glucose(2-)

C15H23N3O14P2-2 (531.0655)


   

2-[({3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid

2-[({3-[3,4-Dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxyphenyl}(hydroxy)methylidene)amino]acetic acid

C23H17NO14 (531.0649)


   

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4,5-dihydroxy-2,3-dimethoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

2-amino-4-({1-[(carboxymethyl)-C-hydroxycarbonimidoyl]-2-{[1-(4,5-dihydroxy-2,3-dimethoxyphenyl)-3-oxopropyl]sulfanyl}ethyl}-C-hydroxycarbonimidoyl)butanoic acid

C21H29N3O11S (531.1523)


   

CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose

CDP-4-dehydro-3,6-dideoxy-alpha-D-glucose

C15H23N3O14P2 (531.0655)


   

gammaGluCys(IAN)Glu(2-)

gammaGluCys(IAN)Glu(2-)

C23H25N5O8S (531.1424)


A peptide anion obtained by deprotonation of the carboxy groups and protonation of the free amino group of gammaGluCys(IAN)Glu; major species at pH 7.3.

   
   

CDP-4-dehydro-3,6-dideoxy-glucose

CDP-4-dehydro-3,6-dideoxy-glucose

C15H23N3O14P2 (531.0655)


   

7,18-dihydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

7,18-dihydroxy-12-(3-hydroxy-4-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C29H25NO9 (531.1529)


   

1-hydroxy-5-{[(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

1-hydroxy-5-{[(9r,10r)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)


   

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10-methylacridin-9-one

1,6-dihydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3-methoxy-10-methylacridin-9-one

C29H25NO9 (531.1529)


   

7,18-dihydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

7,18-dihydroxy-12-(4-hydroxy-3-methoxyphenyl)-8,16,17-trimethoxy-4-oxa-1-azapentacyclo[11.8.0.0²,¹¹.0⁵,¹⁰.0¹⁴,¹⁹]henicosa-2(11),5(10),6,8,12,14(19),15,17-octaen-3-one

C29H25NO9 (531.1529)


   

1,6-dihydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3-methoxy-10-methylacridin-9-one

1,6-dihydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3-methoxy-10-methylacridin-9-one

C29H25NO9 (531.1529)


   

6-{4-[1-(2-amino-2,3-dihydro-1h-imidazol-4-yl)ethyl]-7-hydroxy-1h-indol-3-yl}-3-(6-bromo-1h-indol-3-yl)-1h-pyrazin-2-one

6-{4-[1-(2-amino-2,3-dihydro-1h-imidazol-4-yl)ethyl]-7-hydroxy-1h-indol-3-yl}-3-(6-bromo-1h-indol-3-yl)-1h-pyrazin-2-one

C25H22BrN7O2 (531.1018)


   

6-{4-[(1s)-1-[(2s)-2-amino-2,3-dihydro-1h-imidazol-4-yl]ethyl]-7-hydroxy-1h-indol-3-yl}-3-(6-bromo-1h-indol-3-yl)-1h-pyrazin-2-one

6-{4-[(1s)-1-[(2s)-2-amino-2,3-dihydro-1h-imidazol-4-yl]ethyl]-7-hydroxy-1h-indol-3-yl}-3-(6-bromo-1h-indol-3-yl)-1h-pyrazin-2-one

C25H22BrN7O2 (531.1018)


   

1-hydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

1-hydroxy-5-{[(9s,10s)-9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl]oxy}-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)


   

1-hydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3,6-dimethoxy-10h-acridin-9-one

1-hydroxy-5-({9-hydroxy-8,8-dimethyl-2-oxo-9h,10h-pyrano[2,3-h]chromen-10-yl}oxy)-3,6-dimethoxy-10h-acridin-9-one

C29H25NO9 (531.1529)