CHEBI:68332 - robinetinidol-(4α,8)-gallocatechin

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ChEBI Name robinetinidol-(4α,8)-gallocatechin
ChEBI ID CHEBI:68332
ChEBI ASCII Name robinetinidol-(4alpha,8)-gallocatechin
Definition A ring assembly that consists of robinetinidol attached to a gallocatechin 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C30H26O13
Net Charge 0
Average Mass 594.51960
Monoisotopic Mass 594.13734
InChI InChI=1S/C30H26O13/c31-12-1-2-13-22(7-12)42-29(11-5-19(36)26(40)20(37)6-11)27(41)23(13)24-16(33)9-15(32)14-8-21(38)28(43-30(14)24)10-3-17(34)25(39)18(35)4-10/h1-7,9,21,23,27-29,31-41H,8H2/t21-,23-,27-,28+,29+/m0/s1
InChIKey KQBOEJCDGYYZJZ-ITCYIJQVSA-N
SMILES O[C@H]1Cc2c(O)cc(O)c([C@H]3[C@H](O)[C@H](Oc4cc(O)ccc34)c3cc(O)c(O)c(O)c3)c2O[C@@H]1c1cc(O)c(O)c(O)c1
Metabolite of Species Details
Acacia mearnsii (NCBI:txid139012) Found in bark (BTO:0001301). Spray-dried aqueous extract of bark See: PubMed
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has functional parent gallocatechin (CHEBI:68330)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has functional parent robinetinidol (CHEBI:68327)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) has role metabolite (CHEBI:25212)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) is a catechin (CHEBI:23053)
robinetinidol-(4α,8)-gallocatechin (CHEBI:68332) is a ring assembly (CHEBI:36820)
IUPAC Name
(2R,2'R,3S,3'S,4S)-2,2'-bis(3,4,5-trihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5',7,7'-pentol
Registry Number Type Source
8181628 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
21192716 PubMed citation Europe PMC
Last Modified
03 September 2013