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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name flavan-3,3',4',5,5',7-hexol
ChEBI ID CHEBI:71224
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C15H14O7
Net Charge 0
Average Mass 306.26750
Monoisotopic Mass 306.07395
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
InChIKey XMOCLSLCDHWDHP-UHFFFAOYSA-N
SMILES OC1Cc2c(O)cc(O)cc2OC1c1cc(O)c(O)c(O)c1
ChEBI Ontology
Outgoing 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 (−)-epigallocatechin (CHEBI:42255) is a flavan-3,3',4',5,5',7-hexol (CHEBI:71224)
(+)-epigallocatechin (CHEBI:71227) 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)
Last Modified
03 September 2013