FL7AACGL0051

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	170663-59-9
KEGG	{{{KEGG}}}
KNApSAcK	C00006822
CDX file
MOL file	FL7AACGL0051.mol

Gentiocyanin A
Structural Information
Systematic Name	2-(3,4-Dihydroxyphenyl)-3-(beta-D-glucopyranosyloxy)-7-hydroxy-5-[6-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyloxy]chromenylium
Common Name	Gentiocyanin A Cyanidin 3-glucoside-5-(6-caffeoylglucoside)
Symbol
Formula	C36H37O19
Exact Mass	773.192904002
Average Mass	773.66758
SMILES	C(COC(C=Cc(c6)ccc(c(O)6)O)=O)(C(O)1)OC(Oc(c2)c(c4)c([o+1]c(c(OC(O5)C(C(O)C(C(CO)5)O)O)4)c(c3)ccc(O)c(O)3)cc2O)C(O)C(O)1
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Gentiana sp. FL7AACGL0051 See above. Hosokawa_K et al. 1995