FL7AACGL0044

Revision as of 09:00, 25 July 2008

Cyanidin 3- (6"-malonylglucoside) -5-glucoside

Structural Information
Systematic Name	3- [ [ 6-O- (2-Carboxy-1-oxoethyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (3,4-dihydroxyphenyl) -1-benzopyrylium
Common Name	Cyanidin 3- (6"-malonylglucoside) -5-glucoside 3- [ [ 6-O- (2-Carboxy-1-oxoethyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (3,4-dihydroxyphenyl) -1-benzopyrylium
Symbol
Formula	C30H33O19
Exact Mass	697.161603874
Average Mass	697.57162
SMILES	`c(c(O)5)(cc(cc5)c(c(OC(O4)C(C(C(C4COC(CC(O)=O)=O)O)O)O)1)[o+1]c(c3)c(c(cc3O)OC(O2)C(C(O)C(O)C2CO)O)c1)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
Dahlia variabilis	FL7AACGL0044	See above.	Saito_N et al. 1992
Glechoma hederacea	FL7AACGL0044	See above.	Saito_N et al. 1992
Thymus doerfleri	FL7AACGL0044	See above.	Saito_N et al. 1992
Thymus pannonicus	FL7AACGL0044	See above.	Saito_N et al. 1992
Thymus praecox	FL7AACGL0044	See above.	Saito_N et al. 1992
Thymus serphyllum	FL7AACGL0044	See above.	Saito_N et al. 1992
Dahlia variabilis	FL7AACGL0044	See above.	Takeda_K et al. 1986
Glechoma hederacea	FL7AACGL0044	See above.	Takeda_K et al. 1986
Thymus doerfleri	FL7AACGL0044	See above.	Takeda_K et al. 1986
Thymus pannonicus	FL7AACGL0044	See above.	Takeda_K et al. 1986
Thymus praecox	FL7AACGL0044	See above.	Takeda_K et al. 1986
Thymus serphyllum	FL7AACGL0044	See above.	Takeda_K et al. 1986

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 {{Metabolite
-|SysName=3-[[6-O-(2-Carboxy-1-oxoethyl)-beta-D-glucopyranosyl]oxy]-5-[[beta-D-glucopyranosyl]oxy]-7-hydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium
+|SysName=3- [ [ 6-O- (2-Carboxy-1-oxoethyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (3,4-dihydroxyphenyl) -1-benzopyrylium
-|Common Name=&&Cyanidin 3-(6"-malonylglucoside)-5-glucoside&&3-[[6-O-(2-Carboxy-1-oxoethyl)-beta-D-glucopyranosyl]oxy]-5-[[beta-D-glucopyranosyl]oxy]-7-hydroxy-2-(3,4-dihydroxyphenyl)-1-benzopyrylium&&
+|Common Name=&&Cyanidin 3- (6"-malonylglucoside) -5-glucoside&&3- [ [ 6-O- (2-Carboxy-1-oxoethyl) -beta-D-glucopyranosyl ] oxy ] -5- [ [ beta-D-glucopyranosyl ] oxy ] -7-hydroxy-2- (3,4-dihydroxyphenyl) -1-benzopyrylium&&
 |CAS=104055-86-9
 |KNApSAcK=C00006815
 }}