FL7AAAGL0050

Revision as of 09:00, 25 July 2008

Pelargonidin 3- (4"'-p-coumarylrutinoside) -5-glucoside

Structural Information
Systematic Name	2- (4-Hydroxyphenyl) -3- [ [ 3-O- [ 3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-1-benzopyrylium
Common Name	Pelargonidin 3- (4"'-p-coumarylrutinoside) -5-glucoside 2- (4-Hydroxyphenyl) -3- [ [ 3-O- [ 3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-1-benzopyrylium
Symbol
Formula	C42H47O21
Exact Mass	887.2609835659999
Average Mass	887.80998
SMILES	`OC(C(O)3)C(C(OC3Oc(c7)c([o+1]c(c57)cc(O)cc5OC(O6)C(C(C(O)C(CO)6)O)O)c(c4)ccc(c4)O)COC(C(O)1)OC(C(OC(=O)C=Cc(c2)ccc(O)c2)C1O)C)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
Silene dioica	FL7AAAGL0050	See above.	Harborne_JB 1964
Silene dioica	FL7AAAGL0050	See above.	Kamsteeg._J et al. 1978
Solanum andigena x Solanum tuberosum	FL7AAAGL0050	See above.	Naito_K et al. 1998

@@ Line 1: / Line 1: @@
 {{Metabolite
-|SysName=2-(4-Hydroxyphenyl)-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium
+|SysName=2- (4-Hydroxyphenyl) -3- [ [ 3-O- [ 3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-1-benzopyrylium
-|Common Name=&&Pelargonidin 3-(4"'-p-coumarylrutinoside)-5-glucoside&&2-(4-Hydroxyphenyl)-3-[[3-O-[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl]oxy]-5-(beta-D-glucopyranosyloxy)-7-hydroxy-1-benzopyrylium&&
+|Common Name=&&Pelargonidin 3- (4"'-p-coumarylrutinoside) -5-glucoside&&2- (4-Hydroxyphenyl) -3- [ [ 3-O- [ 3- (4-hydroxyphenyl) -1-oxo-2-propenyl ] -6-O-alpha-L-rhamnopyranosyl-beta-D-glucopyranosyl ] oxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-1-benzopyrylium&&
 |CAS=202335-29-3
 |KNApSAcK=C00006789
 }}