FL7AAAGL0051

From Metabolomics.JP
Jump to: navigation, search


Flavonoid Top Molecule Index Author Index Journals Structure Search Food New Input

Upper classes : FL Flavonoid : FL7 Anthocyani(di)n : FL7A Anthocyani(di)n :  FL7AAA Pelargonidin (96 pages) :  FL7AAAGL Anthocyanin (3-Glucoside related) (75 pages)



Pelargonidin 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
FL7AAAGL0051.png
Structural Information
Systematic Name 3,5,7,4'-Tetrahydroxyflavylium 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Common Name
  • Pelargonidin 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
  • 3,5,7,4'-Tetrahydroxyflavylium 3-O- [ 2-O- (6-O- (trans-3-O- (beta-D-glucopyranosyl) caffeyl) -beta-D-glucopyranosyl) -6-O- (trans-caffeyl) -beta-D-glucopyranoside ] -5-O- [ beta-D-glucopyranoside ]
Symbol
Formula C57H63O31
Exact Mass 1243.335330298
Average Mass 1244.09152
SMILES C(C(Oc(c9)c([o+1]c(c97)cc(cc7OC(C8O)OC(CO)C(O)C8O)O)c(c6)ccc(O)c6)1)(OC(O3)C(C(O)C(C3COC(=O)C=Cc(c4)cc(OC(C5O)OC(C(C5O)O)CO)c(O)c4)O)O)C(C(O)C(COC(=O)C=Cc(c2)cc(O)c(O)c2)O1)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

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox