FL63ACNS0010

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Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol :  FL63AC Catechin and Epicatechin (75 pages) :  FL63ACNS Simple substitution (24 pages)

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	108907-44-4
KEGG	{{{KEGG}}}
KNApSAcK	C00008870
CDX file
MOL file	FL63ACNS0010.mol

Epicatechin 3-O- (4-O-methylgallate)
Structural Information
Systematic Name	(2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (4-O-methylgallate)
Common Name	Epicatechin 3-O- (4-O-methylgallate) (2R,3R) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (4-O-methylgallate)
Symbol
Formula	C23H20O10
Exact Mass	456.10564686
Average Mass	456.3989
SMILES	c(c1)(O)cc(O2)c(C[C@@H](OC(c(c4)cc(c(OC)c(O)4)O)=O)[C@H]2c(c3)ccc(c3O)O)c(O)1
Physicochemical Information
Melting Point
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Density
Optical Rotation
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Spectral Information
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Camellia sinensis var. assamica FL63ACNS0010 See above. Hashimoto_F et al. 1987