FL7AAAGL0049

Revision as of 09:00, 15 May 2008

Pelargonidin 3-[6"'-(3-glucosylcaffeyl)sophoroside]-5-glucoside

Structural Information
Systematic Name	2-(4-Hydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[2-O-[6-O-[(E)-3-[4-hydroxy-3-(beta-D-glucopyranosyloxy)phenyl]acryloyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Common Name	Pelargonidin 3-[6"'-(3-glucosylcaffeyl)sophoroside]-5-glucoside 2-(4-Hydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[2-O-[6-O-[(E)-3-[4-hydroxy-3-(beta-D-glucopyranosyloxy)phenyl]acryloyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Symbol
Formula	C48H57O28
Exact Mass	1081.30363624
Average Mass	1081.94938
SMILES	`OC(C8O)C(OC(C(O)8)OC(C3O)C(Oc(c7)c([o+1]c(c75)cc(O)cc5OC(C(O)6)OC(C(O)C6O)CO)c(c4)ccc(c4)O)OC(C3O)CO)COC(=O)C=Cc(c1)ccc(c1OC(O2)C(C(C(O)C2CO)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
Ipomoea nil	FL7AAAGL0049	See above.	Lu_TS et al. 1992

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 {{Metabolite
 |SysName=2-(4-Hydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[2-O-[6-O-[(E)-3-[4-hydroxy-3-(beta-D-glucopyranosyloxy)phenyl]acryloyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
-|Common Name=&&Pelargonidin 3-[6"'-(3-glucosylcaffeyl)sophoroside]-5-glucoside&&
+|Common Name=&&Pelargonidin 3-[6"'-(3-glucosylcaffeyl)sophoroside]-5-glucoside&&2-(4-Hydroxyphenyl)-5-(beta-D-glucopyranosyloxy)-7-hydroxy-3-[2-O-[6-O-[(E)-3-[4-hydroxy-3-(beta-D-glucopyranosyloxy)phenyl]acryloyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium&&
 |CAS=-
 |KNApSAcK=C00006788
 }}