FL63ACGS0003

Flavonoid Top

Molecule Index

Author Index

Journals

Structure Search

Food

New Input

Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol :  FL63AC Catechin and Epicatechin (75 pages) :  FL63ACGS O-Glycoside (24 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	98752-08-0
KEGG	{{{KEGG}}}
KNApSAcK	C00008839
CDX file
MOL file	FL63ACGS0003.mol

Epicatechin 3-O- (2-trans-cinnamoyl-beta-D-allopyranoside)
Structural Information
Systematic Name	(2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (2-trans-cinnamoyl-beta-D-allopyranoside)
Common Name	Epicatechin 3-O- (2-trans-cinnamoyl-beta-D-allopyranoside) (2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (2-trans-cinnamoyl-beta-D-allopyranoside)
Symbol
Formula	C30H30O12
Exact Mass	582.173726424
Average Mass	582.552
SMILES	Oc(c5)cc(O1)c(c5O)C[C@H](O[C@@H]([C@@H](OC(C=Cc(c4)cccc4)=O)3)OC(CO)[C@@H]([C@H](O)3)O)[C@H]1c(c2)ccc(O)c(O)2
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 Davallia divaricata FL63ACGS0003 See above. Murakami_T et al. 1985