FL5FACGS0076

Revision as of 09:00, 25 July 2008

Quercetin 3-glucosyl- (1->2) -galactosyl- (1->2) -glucoside

Structural Information
Systematic Name	3- [ (O-beta-D-Glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl) oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3-glucosyl- (1->2) -galactosyl- (1->2) -glucoside 3- [ (O-beta-D-Glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl) oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C33H40O22
Exact Mass	788.201122964
Average Mass	788.6575
SMILES	`O(C1OC(C(O)6)C(OC(C6O)CO)OC(=C(c(c5)ccc(O)c5O)3)C(=O)c(c4O)c(cc(O)c4)O3)C(CO)C(O)C(C(OC(O2)C(O)C(O)C(O)C2CO)1)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
Nigella sativa	FL5FACGS0076	See above.	Merfort_I et al. 1997

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 {{Metabolite
-|SysName=3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
+|SysName=3- [ (O-beta-D-Glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl) oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
-|Common Name=&&Quercetin 3-glucosyl-(1->2)-galactosyl-(1->2)-glucoside&&3-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-galactopyranosyl-(1->2)-beta-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one&&
+|Common Name=&&Quercetin 3-glucosyl- (1->2) -galactosyl- (1->2) -glucoside&&3- [ (O-beta-D-Glucopyranosyl- (1->2) -O-beta-D-galactopyranosyl- (1->2) -beta-D-glucopyranosyl) oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one&&
 |CAS=197250-97-8
 |KNApSAcK=C00013848
 }}