FL5FACGS0120

Revision as of 09:00, 25 July 2008

2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one

Structural Information
Systematic Name	2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one
Common Name	2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one Quercetin 3- (2"-sinapoylglucoside) -3'- (6"-sinapoylglucoside) -4'-glucoside
Symbol
Formula	C55H60O30
Exact Mass	1200.31694058
Average Mass	1201.0468999999998
SMILES	`C(=O)(OC(C(OC(=C4c(c5)ccc(OC(C(O)8)OC(C(O)C(O)8)CO)c5OC(C7O)OC(C(C7O)O)COC(C=Cc(c6)cc(OC)c(O)c(OC)6)=O)C(c(c(O)3)c(O4)cc(O)c3)=O)2)C(C(C(O2)CO)O)O)C=Cc(c1)cc(OC)c(c1OC)O`
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species-Flavonoid Relationship Reported

Species	ID	Metabolite Name	Reference
Eruca sativa	FL5FACGS0120	See above.	Weckerle_B et al. 2001

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 {{Metabolite
-|SysName=2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
+|SysName=2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one
-|Common Name=&&2-[4-(beta-D-Glucopyranosyloxy)-3-[[6-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]phenyl]-5,7-dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one&&Quercetin 3-(2"-sinapoylglucoside)-3'-(6"-sinapoylglucoside)-4'-glucoside&&
+|Common Name=&&2- [ 4- (beta-D-Glucopyranosyloxy) -3- [ [ 6-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] phenyl ] -5,7-dihydroxy-3- [ [ 2-O- [ (2E) -3- (4-hydroxy-3,5-dimethoxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] oxy ] -4H-1-benzopyran-4-one&&Quercetin 3- (2"-sinapoylglucoside) -3'- (6"-sinapoylglucoside) -4'-glucoside&&
 |CAS=352639-77-1
 |KNApSAcK=C00013892
 }}