FL5FACGS0109

Revision as of 09:00, 25 July 2008

Quercetin 3- (2"-caffeoylglucoside) - (1->2) - (6"-malonylglucoside)

Structural Information
Systematic Name	3- [ [ 6-O- (Carboxyacetyl) -2-O- [ 2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Common Name	Quercetin 3- (2"-caffeoylglucoside) - (1->2) - (6"-malonylglucoside) 3- [ [ 6-O- (Carboxyacetyl) -2-O- [ 2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
Symbol
Formula	C39H38O23
Exact Mass	874.180387522
Average Mass	874.70522
SMILES	`c(c1O)c(O)c(C(=O)2)c(OC(c(c6)cc(c(O)c6)O)=C2OC(O5)C(C(O)C(O)C(COC(=O)CC(O)=O)5)OC(O4)C(C(C(C4CO)O)O)OC(=O)C=Cc(c3)cc(O)c(O)c3)c1`
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
Petunia hybrida cv. Mitchell	FL5FACGS0109	See above.	Bloor_SJ et al. 1998

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 {{Metabolite
-|SysName=3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one
+|SysName=3- [ [ 6-O- (Carboxyacetyl) -2-O- [ 2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one
-|Common Name=&&Quercetin 3-(2"-caffeoylglucoside)-(1->2)-(6"-malonylglucoside)&&3-[[6-O-(Carboxyacetyl)-2-O-[2-O-[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one&&
+|Common Name=&&Quercetin 3- (2"-caffeoylglucoside) - (1->2) - (6"-malonylglucoside) &&3- [ [ 6-O- (Carboxyacetyl) -2-O- [ 2-O- [ (2E) -3- (3,4-dihydroxyphenyl) -1-oxo-2-propenyl ] -beta-D-glucopyranosyl ] -beta-D-glucopyranosyl ] oxy ] -2- (3,4-dihydroxyphenyl) -5,7-dihydroxy-4H-1-benzopyran-4-one&&
 |CAS=219745-03-6
 |KNApSAcK=C00013881
 }}