FL63ACNS0023

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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	99257-73-5
KEGG	{{{KEGG}}}
KNApSAcK	C00008897
CDX file
MOL file	FL63ACNS0023.mol

Catechin 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate)
Structural Information
Systematic Name	(2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate)
Common Name	Catechin 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate) (2R,3S) -3,5,7,3',4'-Pentahydroxyflavan 3-O- (1,6-dihydroxy-2-cyclohexene-1-carboxylate)
Symbol
Formula	C22H22O9
Exact Mass	430.126382302
Average Mass	430.40468000000004
SMILES	c(c1)(O)cc(O3)c(CC(C3c(c4)ccc(c4O)O)OC(=O)C(O)(C=2)C(O)CCC2)c(O)1
Physicochemical Information
Melting Point
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Optical Rotation
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Spectral Information
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UV Spectra
IR Spectra
NMR Spectra
Chromatograms

Species Information

Species-Flavonoid Relationship Reported
Species ID Metabolite Name Reference Salix sieboldiana FL63ACNS0023 See above. Hsu_FL et al. 1985