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CHEBI:75661 - (−)-epicatechin-(4α→8)-(−)-epicatechin

ChEBI IDCHEBI:75661
ChEBI Name(−)-epicatechin-(4α→8)-(−)-epicatechin
Stars
ASCII Name(-)-epicatechin-(4alpha->8)-(-)-epicatechin
DefinitionA proanthocyanidin consisting of two molecules of (−)-epicatechin joined by a (4α→8)-linkage.
Last Modified25 November 2013
Submittermwilliams
DownloadsMolfile
FormulaC30H26O12
Net Charge0
Average Mass578.526
Monoisotopic Mass578.14243
SMILESOc1cc(O)c2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@H](O)[C@@H]2c1c(O)cc(O)c2c1O[C@H](c1ccc(O)c(O)c1)[C@H](O)C2
InChIInChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26+,27-,28-,29-/m1/s1
InChIKeyXFZJEEAOWLFHDH-DNQXJSMESA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
(−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661) has functional parent (−)-epicatechin (CHEBI:90)
(−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661) has role metabolite (CHEBI:25212)
(−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661) is a biflavonoid (CHEBI:50128)
(−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661) is a hydroxyflavan (CHEBI:72010)
(−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661) is a polyphenol (CHEBI:26195)
(−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661) is a proanthocyanidin (CHEBI:26267)
Incoming Relation(s)
(−)-epicatechin-(4α→8)-(−)-epicatechin-3'-O-gallate (CHEBI:75660) has functional parent (−)-epicatechin-(4α→8)-(−)-epicatechin (CHEBI:75661)
IUPAC Name 
(2R,2'R,3R,3'R,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol
Registry NumbersSources
Reaxys:6049629Reaxys