FL7AACGL0076

Revision as of 09:00, 15 May 2008

Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside)

Structural Information
Systematic Name	2-(3,4-Dihydroxyphenyl)-3-[2-O-[6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-5-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-7-hydroxy-1-benzopyrylium
Common Name	Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside) 2-(3,4-Dihydroxyphenyl)-3-[2-O-[6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-5-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-7-hydroxy-1-benzopyrylium
Symbol
Formula	C54H55O28
Exact Mass	1151.287986176
Average Mass	1151.9977
SMILES	`[C@@H]([C@H]8O)([C@@H](OC(COC(=O)CC(O)=O)[C@H](O)8)Oc(c1)c(c3)c([o+1]c(c(O[C@@H](C(O[C@@H](O6)[C@H](O)[C@@H]([C@@H](C(COC(=O)C=Cc(c7)ccc(c7)O)6)O)O)5)O[C@@H]([C@H](O)C5O)COC(=O)C=Cc(c4)ccc(O)c4)3)c(c2)cc(c(c2)O)O)cc1O)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
Ajuga reptans	FL7AACGL0076	See above.	Terahara_N et al. 1996

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 {{Metabolite
 |SysName=2-(3,4-Dihydroxyphenyl)-3-[2-O-[6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-5-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-7-hydroxy-1-benzopyrylium
-|Common Name=&&Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside)&&
+|Common Name=&&Cyanidin 3-(6",6"'-di-p-coumarylsophoroside)-5-(6-malonylglucoside)&&2-(3,4-Dihydroxyphenyl)-3-[2-O-[6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-6-O-[(E)-3-(4-hydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-5-[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyloxy]-7-hydroxy-1-benzopyrylium&&
 |CAS=176260-03-0
 |KNApSAcK=C00006852
 }}