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CHEBI:71227 - (+)-epigallocatechin

Default Structure
ChEBI IDCHEBI:71227
ChEBI Name(+)-epigallocatechin
Stars
DefinitionA flavan-3,3',4',5,5',7-hexol that has (2S,3S)-configuration.
Last Modified23 November 2012
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H14O7
Net Charge0
Average Mass306.270
Monoisotopic Mass306.07395
SMILESOc1cc(O)c2c(c1)O[C@@H](c1cc(O)c(O)c(O)c1)[C@@H](O)C2
InChIInChI=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-/m0/s1
InChIKeyXMOCLSLCDHWDHP-WFASDCNBSA-N
ChEBI Ontology
Outgoing Relation(s)
(+)-epigallocatechin (CHEBI:71227) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)
(+)-epigallocatechin (CHEBI:71227) is enantiomer of (−)-epigallocatechin (CHEBI:42255)
Incoming Relation(s)
(−)-epigallocatechin (CHEBI:42255) is enantiomer of (+)-epigallocatechin (CHEBI:71227)
IUPAC Name 
(2S,3S)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
Synonyms  Source
(2S,3S)-(+)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triolChEBI
(2S,3S)-flavan-3,3',4',5,5',7-hexolChEBI
(2S,3S)-flavan-3,5,7,3',4',5'-hexolChEBI
(+)-cis-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triolChEBI
(+)-epi-gallocatechinChEBI
(+)-cis-3,3',4',5,5',7-hexahydroxyflavaneChEBI