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CHEBI:68333 - robinetinidol-(4α,8)-catechin

ChEBI IDCHEBI:68333
ChEBI Namerobinetinidol-(4α,8)-catechin
Stars
ASCII Namerobinetinidol-(4alpha,8)-catechin
DefinitionA ring assembly that consists of robinetinidol 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
FormulaC30H26O12
Net Charge0
Average Mass578.526
Monoisotopic Mass578.14243
SMILESOc1ccc2c(c1)O[C@H](c1cc(O)c(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/c31-13-2-3-14-23(8-13)41-29(12-6-20(36)26(39)21(37)7-12)27(40)24(14)25-19(35)10-17(33)15-9-22(38)28(42-30(15)25)11-1-4-16(32)18(34)5-11/h1-8,10,22,24,27-29,31-40H,9H2/t22-,24-,27-,28+,29+/m0/s1
InChIKeyXTVOPCAOTUZWHN-NQCZLCCKSA-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)
robinetinidol-(4α,8)-catechin (CHEBI:68333) has functional parent (+)-catechin (CHEBI:15600)
robinetinidol-(4α,8)-catechin (CHEBI:68333) has functional parent robinetinidol (CHEBI:68327)
robinetinidol-(4α,8)-catechin (CHEBI:68333) has role metabolite (CHEBI:25212)
robinetinidol-(4α,8)-catechin (CHEBI:68333) is a catechin (CHEBI:23053)
robinetinidol-(4α,8)-catechin (CHEBI:68333) is a ring assembly (CHEBI:36820)
IUPAC Name 
(2R,2'R,3S,3'S,4S)-2'-(3,4-dihydroxyphenyl)-2-(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5',7,7'-pentol
Registry NumbersSources
Reaxys:5232674Reaxys
Citations