FL7AACGL0099

Revision as of 09:00, 13 May 2008

Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside

Structural Information
Systematic Name	2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-(beta-D-glucopyranosyloxy)-3-[2-O-[6-O-(3,4-dihydroxycinnamoyl)-beta-D-glucopyranosyl]-6-O-[3-hydroxy-4-[6-O-(3,5-dihydroxycinnamoyl)-beta-D-glucopyranosyloxy]cinnamoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Common Name	Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside
Symbol
Formula	C66H69O35
Exact Mass	1421.3619389780001
Average Mass	1422.23306
SMILES	`Oc(c1)c(ccc1c(c(OC(O7)C(C(O)C(O)C7COC(=O)C=Cc(c%10)cc(O)c(c%10)OC(O8)C(O)C(C(C8COC(=O)C=Cc(c9)cc(O)cc(O)9)O)O)OC(O5)C(O)C(C(O)C(COC(=O)C=Cc(c6)ccc(O)c(O)6)5)O)2)[o+1]c(c3)c(c(OC(O4)C(C(O)C(C4CO)O)O)cc3O)c2)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 asarifolia	FL7AACGL0099	See above.	Pale_E et al. 2003

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 {{Metabolite
-|Sysname=2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-(beta-D-glucopyranosyloxy)-3-[2-O-[6-O-(3,4-dihydroxycinnamoyl)-beta-D-glucopyranosyl]-6-O-[3-hydroxy-4-[6-O-(3,5-dihydroxycinnamoyl)-beta-D-glucopyranosyloxy]cinnamoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
+|SysName=2-(3,4-Dihydroxyphenyl)-7-hydroxy-5-(beta-D-glucopyranosyloxy)-3-[2-O-[6-O-(3,4-dihydroxycinnamoyl)-beta-D-glucopyranosyl]-6-O-[3-hydroxy-4-[6-O-(3,5-dihydroxycinnamoyl)-beta-D-glucopyranosyloxy]cinnamoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
 |Common Name=&&Cyanidin 3-O-[2-O-(6-O-E-caffeoyl-beta-D-glucopyanosyl)]-{6-O-[4-O-(6-O-E-3,5-dihydroxycinnamoyl-beta-D-glucopyranosyl)-E-caffeoyl]-beta-D-glucopyranosyl}-5-O-beta-D-glucopyranoside&&
 |CAS=651731-54-3
 |KNApSAcK=C00011108
 }}