FL7AAGGL0039

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	198645-07-7
KEGG	{{{KEGG}}}
KNApSAcK	C00014781
CDX file
MOL file	FL7AAGGL0039.mol

Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside)
Structural Information
Systematic Name	Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside)
Common Name	Delphinidin 3,3'-di-glucoside-5-(6-caffeoylglucoside)
Symbol
Formula	C42H47O25
Exact Mass	951.2406420539999
Average Mass	951.80758
SMILES	c(c35)(cc(cc3[o+1]c(c(c6)cc(O)c(c6OC(C7O)OC(CO)C(C7O)O)O)c(c5)OC(C4O)OC(C(O)C4O)CO)O)OC(C(O)2)OC(C(C2O)O)COC(=O)C=Cc(c1)ccc(O)c1O
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 spp. FL7AAGGL0039 See above. Hosokawa_K et al. 1997