FL7AAGGA0012

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAG Delphinidin (107 pages) :  FL7AAGGA Anthocyanin (3-Galactoside related) (16 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	462122-44-7
KEGG	{{{KEGG}}}
KNApSAcK	C00014784
CDX file
MOL file	FL7AAGGA0012.mol

Delphinidin 3-O- [ 2-O- (2-O- (trans-caffeoyl) -beta-D-glucopyranosyl) -beta-D-galactopyranoside ] -7-O- [ 6-O- (trans-caffeoyl) -beta-D-glucopyranoside ] -3'-O- [ beta-D-glucuronopyranoside ]
Structural Information
Systematic Name	3,5,7,3',4',5'-Hexahydroxyflavylium 3-O- [ 2-O- (2-O- (trans-caffeoyl) -beta-D-glucopyranosyl) -beta-D-galactopyranoside ] -7-O- [ 6-O- (trans-caffeoyl) -beta-D-glucopyranoside ] -3'-O- [ beta-D-glucuronopyranoside ]
Common Name	Delphinidin 3-O- [ 2-O- (2-O- (trans-caffeoyl) -beta-D-glucopyranosyl) -beta-D-galactopyranoside ] -7-O- [ 6-O- (trans-caffeoyl) -beta-D-glucopyranoside ] -3'-O- [ beta-D-glucuronopyranoside ] 3,5,7,3',4',5'-Hexahydroxyflavylium 3-O- [ 2-O- (2-O- (trans-caffeoyl) -beta-D-glucopyranosyl) -beta-D-galactopyranoside ] -7-O- [ 6-O- (trans-caffeoyl) -beta-D-glucopyranoside ] -3'-O- [ beta-D-glucuronopyranoside ]
Symbol
Formula	C57H61O34
Exact Mass	1289.3044241
Average Mass	1290.07384
SMILES	c(c76)c(c([o+1]c(cc(OC(C(O)8)OC(COC(C=Cc(c9)cc(c(c9)O)O)=O)C(O)C(O)8)cc7O)6)c(c4)cc(O)c(O)c(OC(O5)C(C(O)C(C5C(=O)O)O)O)4)OC(C(OC(O3)C(C(C(C3CO)O)O)OC(C=Cc(c2)ccc(O)c2O)=O)1)OC(CO)C(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 Anemone coronaria FL7AAGGA0012 See above. Saito_N et al. 2002