FL7AAHGL0013

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAH Petunidin (31 pages) :  FL7AAHGL Anthocyanin (3-Glucoside related) (23 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	51939-66-3
KEGG	{{{KEGG}}}
KNApSAcK	C00006898
CDX file
MOL file	FL7AAHGL0013.mol

Petunidin 3- (6"-p-coumarylglucoside) -5-glucoside
Structural Information
Systematic Name	3,5,7,3',4'-Pentahydroxy-5'-methoxyflavylium 3- (6"-p-coumarylglucoside) -5-glucoside
Common Name	Petunidin 3- (6"-p-coumarylglucoside) -5-glucoside 3,5,7,3',4'-Pentahydroxy-5'-methoxyflavylium 3- (6"-p-coumarylglucoside) -5-glucoside
Symbol
Formula	C37H39O19
Exact Mass	787.208554066
Average Mass	787.69416
SMILES	[C@@H]([C@H]1O)([C@H](Oc(c6)c(c(cc6O)4)cc(c(c(c5)cc(OC)c(O)c(O)5)[o+1]4)O[C@H](O2)C(C(O)[C@@H](O)[C@@H](COC(C=Cc(c3)ccc(c3)O)=O)2)O)OC(CO)[C@H](O)1)O
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 Vitis rotundifolia FL7AAHGL0013 See above. Hrazdina_G et al. 1974 Vitis rotundifolia FL7AAHGL0013 See above. Williams_M et al. 1978