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CHEBI:2508 - afzelechin-(4α→8)-afzelechin

ChEBI IDCHEBI:2508
ChEBI Nameafzelechin-(4α→8)-afzelechin
Stars
ASCII Nameafzelechin-(4alpha->8)-afzelechin
DefinitionA biflavonoid consisting of two molecules of afzelechin joined by a (4α→8) linkage.
Last Modified15 June 2015
DownloadsMolfile
FormulaC30H26O10
Net Charge0
Average Mass546.528
Monoisotopic Mass546.15260
SMILESOc1ccc([C@H]2Oc3cc(O)cc(O)c3[C@@H](c3c(O)cc(O)c4c3O[C@H](c3ccc(O)cc3)[C@@H](O)C4)[C@@H]2O)cc1
InChIInChI=1S/C30H26O10/c31-15-5-1-13(2-6-15)28-22(37)11-18-19(34)12-21(36)25(30(18)40-28)26-24-20(35)9-17(33)10-23(24)39-29(27(26)38)14-3-7-16(32)8-4-14/h1-10,12,22,26-29,31-38H,11H2/t22-,26-,27-,28+,29+/m0/s1
InChIKeyJESPWQGCCOLVKQ-AVFWISQGSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
Application:
astringent  A compound that causes the contraction of body tissues, typically used to reduce bleeding from minor abrasions.
ChEBI Ontology
Outgoing Relation(s)
afzelechin-(4α→8)-afzelechin (CHEBI:2508) has functional parent afzelechin (CHEBI:2507)
afzelechin-(4α→8)-afzelechin (CHEBI:2508) has role plant metabolite (CHEBI:76924)
afzelechin-(4α→8)-afzelechin (CHEBI:2508) is a biflavonoid (CHEBI:50128)
afzelechin-(4α→8)-afzelechin (CHEBI:2508) is a proanthocyanidin (CHEBI:26267)
IUPAC Name 
(2R,2'R,3S,3'S,4S)-2,2'-bis(4-hydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-[4,8'-bi-1-benzopyran]-3,3',5,5',7,7'-hexol
Manual XrefsDatabases
C10209KEGG COMPOUND
C00002906KNApSAcK
Registry NumbersSources
Reaxys:5788880Reaxys
CAS:101339-37-1KEGG COMPOUND