FL63ACNS0018

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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	-
KEGG	{{{KEGG}}}
KNApSAcK	C00008878
CDX file
MOL file	FL63ACNS0018.mol

Catechin 5,3'-di-O-gallate
Structural Information
Systematic Name	(2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 5,3'-di-O-gallate
Common Name	Catechin 5,3'-di-O-gallate (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 5,3'-di-O-gallate
Symbol
Formula	C29H22O14
Exact Mass	594.100955412
Average Mass	594.47658
SMILES	O=C(Oc(c25)cc(O)cc2OC(C(O)C5)c(c3)ccc(c3OC(c(c4)cc(O)c(c(O)4)O)=O)O)c(c1)cc(c(c1O)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 Acacia gerrardii FL63ACNS0018 See above. Malan_E 1991 Acacia nilotica FL63ACNS0018 See above. Malan_E 1991