FL7AAGGL0055

Revision as of 09:00, 25 July 2008

Ternatin C3

Structural Information
Systematic Name	3- [ [ 6-O- (3-Hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -3'- [ [ 6-O- (4-hydroxy-trans-cinnamoyl) -beta-D-glucopyranosyl ] oxy ] -5'- [ (beta-D-glucopyranosyl) oxy ] -4',5,7-trihydroxyflavylium
Common Name	Ternatin C3 3- [ [ 6-O- (3-Hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -3'- [ [ 6-O- (4-hydroxy-trans-cinnamoyl) -beta-D-glucopyranosyl ] oxy ] -5'- [ (beta-D-glucopyranosyl) oxy ] -4',5,7-trihydroxyflavylium
Symbol
Formula	C45H49O27
Exact Mass	1021.2461213619999
Average Mass	1021.8543599999999
SMILES	`C(O)(C7O)C(CO)OC(C7O)Oc(c3)c(c(cc3c(c5OC(O6)C(O)C(C(O)C6COC(CC(O)=O)=O)O)[o+1]c(c(c5)4)cc(cc(O)4)O)OC(O1)C(O)C(O)C(C1COC(C=Cc(c2)ccc(c2)O)=O)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
Clitoria ternatea	FL7AAGGL0055	See above.	Terahara_N et al. 1998

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 {{Metabolite
-|SysName=3-[[6-O-(3-Hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-3'-[[6-O-(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]oxy]-5'-[(beta-D-glucopyranosyl)oxy]-4',5,7-trihydroxyflavylium
+|SysName=3- [ [ 6-O- (3-Hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -3'- [ [ 6-O- (4-hydroxy-trans-cinnamoyl) -beta-D-glucopyranosyl ] oxy ] -5'- [ (beta-D-glucopyranosyl) oxy ] -4',5,7-trihydroxyflavylium
-|Common Name=&&Ternatin C3&&3-[[6-O-(3-Hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]-3'-[[6-O-(4-hydroxy-trans-cinnamoyl)-beta-D-glucopyranosyl]oxy]-5'-[(beta-D-glucopyranosyl)oxy]-4',5,7-trihydroxyflavylium&&
+|Common Name=&&Ternatin C3&&3- [ [ 6-O- (3-Hydroxy-1,3-dioxopropyl) -beta-D-glucopyranosyl ] oxy ] -3'- [ [ 6-O- (4-hydroxy-trans-cinnamoyl) -beta-D-glucopyranosyl ] oxy ] -5'- [ (beta-D-glucopyranosyl) oxy ] -4',5,7-trihydroxyflavylium&&
 |CAS=215378-76-0
 |KNApSAcK=C00014806
 }}