FL7AACGL0078

Revision as of 09:00, 15 May 2008

Cyanidin 3-(6",6"'-disinapylsophoroside)-5-glucoside

Structural Information
Systematic Name	3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin
Common Name	Cyanidin 3-(6",6"'-disinapylsophoroside)-5-glucoside 3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin
Symbol
Formula	C55H61O29
Exact Mass	1185.32985099
Average Mass	1186.0554399999999
SMILES	`Oc(c(OC)1)c(OC)cc(C=CC(OC[C@@H](O4)[C@@H](C(C([C@H](Oc(c7)c(c(c8)ccc(O)c(O)8)[o+1]c(c57)cc(cc5O[C@H](O6)[C@@H](O)[C@@H](O)[C@H](C(CO)6)O)O)4)O[C@H]([C@H](O)2)OC(COC(=O)C=Cc(c3)cc(c(O)c3OC)OC)[C@H]([C@H]2O)O)O)O)=O)c1`
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
Brassica oleracea	FL7AACGL0078	See above.	Hrazdina_G et al. 1977
Brassica oleracea	FL7AACGL0078	See above.	Idaka_E et al. 1987

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 {{Metabolite
 |SysName=3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin
-|Common Name=&&Cyanidin 3-(6",6"'-disinapylsophoroside)-5-glucoside&&
+|Common Name=&&Cyanidin 3-(6",6"'-disinapylsophoroside)-5-glucoside&&3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-[2-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranosyloxy]anthocyanidin&&
 |CAS=110202-93-2
 |KNApSAcK=C00006854
 }}