FL7AAGGL0001

Revision as of 09:00, 15 May 2008

Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside)

Structural Information
Systematic Name	2-[3,4-Dihydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]phenyl]-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Common Name	Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside) Gentiodelphin 2-[3,4-Dihydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]phenyl]-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
Symbol
Formula	C51H53O28
Exact Mass	1113.272336112
Average Mass	1113.94972
SMILES	`c(c(O)1)(O)c(OC(C7O)OC(COC(C=Cc(c8)cc(O)c(O)c8)=O)C(C7O)O)cc(c([o+1]3)c(cc(c4OC(O5)C(C(C(C5COC(C=Cc(c6)ccc(O)c(O)6)=O)O)O)O)c3cc(c4)O)OC(C2O)OC(C(C2O)O)CO)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
Gentiana makinoi	FL7AAGGL0001	See above.	Goto_T et al. 23

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 {{Metabolite
 |SysName=2-[3,4-Dihydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]phenyl]-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium
-|Common Name=&&Gentiodelphin&&Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside)&&
+|Common Name=&&Delphinidin 3-glucoside-5,3'-di-(6-caffeoylglucoside)&&Gentiodelphin&&2-[3,4-Dihydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]phenyl]-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]-1-benzopyrylium&&
 |CAS=84331-34-0
 |KNApSAcK=C00002379
 }}