FL7AAHGL0018

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	232617-23-1
KEGG	{{{KEGG}}}
KNApSAcK	C00014855
CDX file
MOL file	FL7AAHGL0018.mol

Petunidin 3-O- [ 6-O- (4-O- (E) -caffeoyl-O-alpha-rhamnopyranosyl) -beta-glucopyranoside ] -5-O-beta-glucopyranoside
Structural Information
Systematic Name	3- [ 6-O- [ 4-O- [ (E) -3- (3,4-Dihydroxyphenyl) propenoyl ] -alpha-L-rhamnopyranosyl ] -beta-D-glucopyranosyloxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (3,4-dihydroxy-5-methoxyphenyl) -1-benzopyrylium
Common Name	Petunidin 3-O- [ 6-O- (4-O- (E) -caffeoyl-O-alpha-rhamnopyranosyl) -beta-glucopyranoside ] -5-O-beta-glucopyranoside 3- [ 6-O- [ 4-O- [ (E) -3- (3,4-Dihydroxyphenyl) propenoyl ] -alpha-L-rhamnopyranosyl ] -beta-D-glucopyranosyloxy ] -5- (beta-D-glucopyranosyloxy) -7-hydroxy-2- (3,4-dihydroxy-5-methoxyphenyl) -1-benzopyrylium
Symbol
Formula	C43H49O24
Exact Mass	949.261377496
Average Mass	949.83476
SMILES	c(O)(c7)c(O)cc(c7)C=CC(OC(C6O)C(OC(C6O)OCC(O1)C(C(C(O)C1Oc(c2)c(c(c5)cc(OC)c(c5O)O)[o+1]c(c4)c2c(cc4O)OC(O3)C(C(C(O)C(CO)3)O)O)O)O)C)=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 Solanum tuberosum FL7AAHGL0018 See above. Fossen_T et al. 2003