FL7AAAGL0053

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)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	-
KEGG	{{{KEGG}}}
KNApSAcK	C00011097
CDX file
MOL file	FL7AAAGL0053.mol

3,5-di-O- (beta-Glucopyranosyl) pelargonidin 6"-O-4, 6"'-O-1-cyclic malate
Structural Information
Systematic Name	3,5- [ 2-Hydroxy-1,4-dioxo-1,4-butanediylbis (oxymethylene) bis [ [ (3R) -tetrahydro-3alpha,4beta,5alpha-trihydroxy-2H-pyran ] -6beta,2beta-diyloxy ] ] -2- (4-hydroxyphenyl) -7-hydroxy-1-benzopyrylium
Common Name	3,5-di-O- (beta-Glucopyranosyl) pelargonidin 6"-O-4, 6"'-O-1-cyclic malate 3,5- [ 2-Hydroxy-1,4-dioxo-1,4-butanediylbis (oxymethylene) bis [ [ (3R) -tetrahydro-3alpha,4beta,5alpha-trihydroxy-2H-pyran ] -6beta,2beta-diyloxy ] ] -2- (4-hydroxyphenyl) -7-hydroxy-1-benzopyrylium
Symbol
Formula	C31H33O18
Exact Mass	693.166689252
Average Mass	693.5829200000001
SMILES	C(O1)(O5)C(C(C(C(COC(=O)CC(C(OCC(O2)C(O)C(C(C(Oc(c63)cc(cc([o+1]c(c(c6)5)c(c4)ccc(O)c4)3)O)2)O)O)=O)O)1)O)O)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 Dianthus caryophyllus FL7AAAGL0053 See above. Nakayama_M et al. 2000