FL7AACGL0069

Revision as of 09:00, 15 May 2008

Cyanidin 3-(6"-sinapylsophoroside)-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-(beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]anthocyanidin
Common Name	Cyanidin 3-(6"-sinapylsophoroside)-5-glucoside 3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]anthocyanidin
Symbol
Formula	C44H51O25
Exact Mass	979.271942182
Average Mass	979.8607400000001
SMILES	`c(c(O)1)c(c([o+1]5)c(cc(c(O[C@H](O7)[C@@H](O)[C@@H](O)[C@@H](O)C7CO)6)c5cc(O)c6)O[C@H]([C@@H]3O[C@@H]([C@H]4O)OC([C@H](O)[C@H](O)4)CO)OC([C@H]([C@H]3O)O)COC(C=Cc(c2)cc(OC)c(c(OC)2)O)=O)ccc1O`
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	FL7AACGL0069	See above.	Hrazdina_G et al. 1977
Brassica oleracea	FL7AACGL0069	See above.	Idaka_E et al. 1987

@@ Line 1: / Line 1: @@
 {{Metabolite
 |SysName=3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]anthocyanidin
-|Common Name=&&Cyanidin 3-(6"-sinapylsophoroside)-5-glucoside&&
+|Common Name=&&Cyanidin 3-(6"-sinapylsophoroside)-5-glucoside&&3',4',7-Trihydroxy-5-(beta-D-glucopyranosyloxy)-3-[6-O-[3-(4-hydroxy-3,5-dimethoxyphenyl)propenoyl]-2-O-(beta-D-glucopyranosyl)-beta-D-glucopyranosyloxy]anthocyanidin&&
 |CAS=119818-02-9,107480-91-1,63003-10-1
 |KNApSAcK=C00006845
 }}