FL5FACGS0105

Revision as of 09:00, 25 July 2008

Quercetin 3- (6"-caffeoylsophoroside)

Structural Information
Systematic Name	2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3- (6"-caffeoylsophoroside) 2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C36H36O20
Exact Mass	788.179993592
Average Mass	788.65904
SMILES	`c(c6O)(cc(cc6)C(O5)=C(C(=O)c(c54)c(cc(c4)O)O)OC(C(OC(C(O)3)OC(CO)C(O)C(O)3)2)OC(C(O)C2O)COC(C=Cc(c1)cc(O)c(O)c1)=O)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
Bassia muricata	FL5FACGS0105	See above.	Kamel_MS et al. 2001

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 {{Metabolite
-|SysName=2-(3,4-Dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one
+|SysName=2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one
-|Common Name=&&Quercetin 3-(6"-caffeoylsophoroside)&&2-(3,4-Dihydroxyphenyl)-3-[[6-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-4H-1-benzopyran-4-one&&
+|Common Name=&&Quercetin 3- (6"-caffeoylsophoroside) &&2- (3,4-Dihydroxyphenyl) -3- [ [ 6-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl ] oxy ] -5,7-dihydroxy-4H-1-benzopyran-4-one&&
 |CAS=365544-18-9
 |KNApSAcK=C00013877
 }}