FL63AGNS0004

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Upper classes : FL Flavonoid : FL6 Flavan : FL63 Flavan 3-ol :  FL63AG Gallocatechin and Epigallocatechin (23 pages) :  FL63AGNS Simple substitution (17 pages)

Gallocatechins refer to a subgroup of Flavan 3-ol derivatives (FL63AG). Compared to catechins, they have an additional phenolic hydroxyl group. Catechin gallates are gallic acid esters of the catechins, and (-)-Epigallocatechin gallate (EGCG) is the most abundant catechin in green tea but not in black tea.
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Structure
Name	(+)-Gallocatechin or D-Gallocatechin; GC	(-)-Epigallocatechin or L-Epigallocatechin; EGC	(-)-Gallocatechin or L-Gallocatechin
B-ring stereo	↓	↓	↑
3-Hydroxyl stereo	↑	↓	↓
Gallate form
	(+)-Gallocatechin gallate or GCG	(-)-Epigallocatechin gallate or EGCG	(-)-Gallocatechin gallate
B-ring stereo	↓	↓	↑
3-Hydroxyl stereo	↑	↓	↓
Catechins	(+)-Catechin	(-)-Epicatechin	ent-Catechin

IDs and Links
LipidBank	[1]
LipidMaps	[2]
CAS	5127-64-0
KEGG	{{{KEGG}}}
KNApSAcK	C00008882
CDX file
MOL file	FL63AGNS0004.mol

Gallocatechin 3-O-gallate
Structural Information
Systematic Name	(2R) -2,3-Dihydro-2alpha- (3,4,5-trihydroxyphenyl) -3beta- (galloyloxy) -4H-1-benzopyran-5,7-diol
Common Name	Gallocatechin 3-O-gallate (2R) -2,3-Dihydro-2alpha- (3,4,5-trihydroxyphenyl) -3beta- (galloyloxy) -4H-1-benzopyran-5,7-diol
Symbol
Formula	C22H18O11
Exact Mass	458.084911418
Average Mass	458.37172000000004
SMILES	Oc(c(O)1)cc(C(=O)OC(C2)C(c(c4)cc(O)c(O)c(O)4)Oc(c3)c2c(O)cc(O)3)cc(O)1
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 Camellia sinensis FL63AGNS0004 See above. Lee_CY et al. 1990 Cistus incanus FL63AGNS0004 See above. Lee_CY et al. 1990 Cistus salviifolius FL63AGNS0004 See above. Lee_CY et al. 1990 Hippophae rhamnoides FL63AGNS0004 See above. Lee_CY et al. 1990 Polygonum panjutinii FL63AGNS0004 See above. Lee_CY et al. 1990 Vitis vinifera FL63AGNS0004 See above. Lee_CY et al. 1990 Camellia sinensis FL63AGNS0004 See above. Varnaite_R 1983 Cistus incanus FL63AGNS0004 See above. Varnaite_R 1983 Cistus salviifolius FL63AGNS0004 See above. Varnaite_R 1983 Hippophae rhamnoides FL63AGNS0004 See above. Varnaite_R 1983 Polygonum panjutinii FL63AGNS0004 See above. Varnaite_R 1983 Vitis vinifera FL63AGNS0004 See above. Varnaite_R 1983