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CHEBI:71224 - flavan-3,3',4',5,5',7-hexol

Default Structure
ChEBI IDCHEBI:71224
ChEBI Nameflavan-3,3',4',5,5',7-hexol
Stars
DefinitionA hydroxyflavan that is 3,4-dihydro-2H-chromene which is substituted at positions 3, 5, and 7 by hydroxy groups, and at position 2 by a 3,4,5-trihydroxyphenyl group.
Last Modified3 September 2013
SubmitterGareth Owen
DownloadsMolfile
FormulaC15H14O7
Net Charge0
Average Mass306.270
Monoisotopic Mass306.07395
SMILESOc1cc(O)c2c(c1)OC(c1cc(O)c(O)c(O)c1)C(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
InChIKeyXMOCLSLCDHWDHP-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
flavan-3,3',4',5,5',7-hexol (CHEBI:71224) is a hydroxyflavan (CHEBI:72010)
flavan-3,3',4',5,5',7-hexol (CHEBI:71224) is a polyphenol (CHEBI:26195)
flavan-3,3',4',5,5',7-hexol (CHEBI:71224) is a secondary alcohol (CHEBI:35681)
Incoming Relation(s)
(+)-epigallocatechin (CHEBI:71227) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)
(−)-epigallocatechin (CHEBI:42255) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)
gallocatechin (CHEBI:68330) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)