(-)-epigallocatechin (CHEBI:42255)

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CHEBI:42255 - (−)-epigallocatechin

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ChEBI ID	CHEBI:42255
ChEBI Name	(−)-epigallocatechin
Stars
ASCII Name	(-)-epigallocatechin
Definition	A flavan-3,3',4',5,5',7-hexol having (2R,3R)-configuration.
Secondary ChEBI IDs	CHEBI:31029, CHEBI:42251
Last Modified	25 February 2016
Downloads	Molfile

Formula	C15H14O7
Net Charge	0
Average Mass	306.270
Monoisotopic Mass	306.07395
SMILES	Oc1cc(O)c2c(c1)O[C@H](c1cc(O)c(O)c(O)c1)[C@H](O)C2
InChI	InChI=1S/C15H14O7/c16-7-3-9(17)8-5-12(20)15(22-13(8)4-7)6-1-10(18)14(21)11(19)2-6/h1-4,12,15-21H,5H2/t12-,15-/m1/s1
InChIKey	XMOCLSLCDHWDHP-IUODEOHRSA-N

Roles Classification

Chemical Role:	antioxidant A substance that opposes oxidation or inhibits reactions brought about by dioxygen or peroxides.
Biological Roles:	food component A physiological role played by any substance that is distributed in foodstuffs. It includes materials derived from plants or animals, such as vitamins or minerals, as well as environmental contaminants. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

ChEBI Ontology

Outgoing Relation(s)
	(−)-epigallocatechin (CHEBI:42255) has role antioxidant (CHEBI:22586)
	(−)-epigallocatechin (CHEBI:42255) has role food component (CHEBI:78295)
	(−)-epigallocatechin (CHEBI:42255) has role plant metabolite (CHEBI:76924)
	(−)-epigallocatechin (CHEBI:42255) is a catechin (CHEBI:23053)
	(−)-epigallocatechin (CHEBI:42255) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)
	(−)-epigallocatechin (CHEBI:42255) is enantiomer of (+)-epigallocatechin (CHEBI:71227)
Incoming Relation(s)
	(+)-catechin-(4α→8)-(−)-epigallocatechin (CHEBI:75667) has functional parent (−)-epigallocatechin (CHEBI:42255)
	(−)-epicatechin-(4β→8)-(−)-epigallocatechin (CHEBI:75670) has functional parent (−)-epigallocatechin (CHEBI:42255)
	(−)-epigallocatechin 3-gallate (CHEBI:4806) has functional parent (−)-epigallocatechin (CHEBI:42255)
	(−)-epigallocatechin-(4β→6)-(+)-catechin (CHEBI:75673) has functional parent (−)-epigallocatechin (CHEBI:42255)
	(−)-epigallocatechin-(4β→8)-(−)-epicatechin (CHEBI:75669) has functional parent (−)-epigallocatechin (CHEBI:42255)
	epigallocatechin-(4β→8,2β→O-7)-epicatechin (CHEBI:65854) has functional parent (−)-epigallocatechin (CHEBI:42255)
	(+)-epigallocatechin (CHEBI:71227) is enantiomer of (−)-epigallocatechin (CHEBI:42255)

IUPAC Name
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol

Synonyms	Source
2,3-cis-epigallocatechin	MetaCyc
(2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol	PDBeChem
(-)-3,3',4',5,5',7-Flavanhexol	ChemIDplus
(-)-Epigallocatechin	KEGG COMPOUND
Epigallocatechol	KEGG COMPOUND
Epigallocatechol	ChemIDplus

Manual Xrefs	Databases
C00008818	KNApSAcK
C12136	KEGG COMPOUND
CPD-10411	MetaCyc
EGT	PDBeChem
HMDB0038361	HMDB
LMPK12020004	LIPID MAPS
LSM-20967	LINCS

Registry Numbers	Sources
Beilstein:3655868	Beilstein
Reaxys:94057	Reaxys
CAS:970-74-1	ChemIDplus
CAS:970-74-1	KEGG COMPOUND

Citations