FL63ACNS0021

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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	110784-25-3
KEGG	{{{KEGG}}}
KNApSAcK	C00008881
CDX file
MOL file	FL63ACNS0021.mol

Catechin 7,4'-di-O-gallate
Structural Information
Systematic Name	(2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 7,4'-di-O-gallate
Common Name	Catechin 7,4'-di-O-gallate (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 7,4'-di-O-gallate
Symbol
Formula	C29H22O14
Exact Mass	594.100955412
Average Mass	594.47658
SMILES	Oc(c4OC(=O)c(c5)cc(O)c(O)c(O)5)cc(cc4)C(O1)C(O)Cc(c(O)2)c1cc(OC(c(c3)cc(c(O)c3O)O)=O)c2
Physicochemical Information
Melting Point
Boiling Point
Density
Optical Rotation
Reflactive Index
Solubility
Spectral Information
Mass Spectra
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NMR Spectra
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Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Acacia gerrardii FL63ACNS0021 See above. Malan_E et al. 1987