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CHEBI:68334 - fisetinidol-(4α,8)-catechin

ChEBI IDCHEBI:68334
ChEBI Namefisetinidol-(4α,8)-catechin
Stars
ASCII Namefisetinidol-(4alpha,8)-catechin
DefinitionA ring assembly that consists of fisetinidol attached to a (+)-catechin unit resulting in a bond between C-4 of the pyran ring and C-8 of the benzopyran ring. It is isolated from Acacia mearnsii.
Last Modified3 September 2013
DownloadsMolfile
FormulaC30H26O11
Net Charge0
Average Mass562.527
Monoisotopic Mass562.14751
SMILESOc1ccc2c(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/C30H26O11/c31-14-3-4-15-24(9-14)40-29(13-2-6-18(33)21(36)8-13)27(39)25(15)26-22(37)11-19(34)16-10-23(38)28(41-30(16)26)12-1-5-17(32)20(35)7-12/h1-9,11,23,25,27-29,31-39H,10H2/t23-,25-,27-,28+,29+/m0/s1
InChIKeyCVPALQKJIJFGCD-WXMJOIKDSA-N
Species of MetaboliteComponentSourceComments
Acacia mearnsii (ncbitaxon:139012) bark (BTO:0001301) PubMed (21192716) Spray-dried aqueous extract of bark
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.
ChEBI Ontology
Outgoing Relation(s)
fisetinidol-(4α,8)-catechin (CHEBI:68334) has functional parent (+)-catechin (CHEBI:15600)
fisetinidol-(4α,8)-catechin (CHEBI:68334) has functional parent fisetinidol (CHEBI:5066)
fisetinidol-(4α,8)-catechin (CHEBI:68334) has role metabolite (CHEBI:25212)
fisetinidol-(4α,8)-catechin (CHEBI:68334) is a catechin (CHEBI:23053)
fisetinidol-(4α,8)-catechin (CHEBI:68334) is a ring assembly (CHEBI:36820)
IUPAC Name 
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5',7,7'-pentol
Registry NumbersSources
Reaxys:5232282Reaxys
Citations