CHEBI:67817 - cupacinoxepin, (rel)-

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ChEBI Name cupacinoxepin, (rel)-
ChEBI ID CHEBI:67817
Definition A natural product found in Cupania cinerea.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C31H52O3
Net Charge 0
Average Mass 472.74280
Monoisotopic Mass 472.39165
InChI InChI=1S/C31H52O3/c1-25(2)15-10-16-28(6)23-12-11-22-27(5)17-14-24(32)33-26(3,4)21(27)13-18-29(22,7)34-30(23,8)19-20-31(25,28)9/h21-23H,10-20H2,1-9H3/t21-,22+,23+,27-,28+,29+,30+,31-/m0/s1
InChIKey ZOSNTVJOXIRCCT-ISLDYSMMSA-N
SMILES [H][C@@]12CC[C@@]3(C)O[C@]4(C)CC[C@@]5(C)C(C)(C)CCC[C@]5(C)[C@@]4([H])CC[C@]3([H])[C@@]1(C)CCC(=O)OC2(C)C
Metabolite of Species Details
Cupania cinerea (NCBI:txid298314) Found in bark (BTO:0001301). Crude n-hexane extract of dried and powdered 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 cupacinoxepin, (rel)- (CHEBI:67817) has role metabolite (CHEBI:25212)
cupacinoxepin, (rel)- (CHEBI:67817) is a lactone (CHEBI:25000)
Synonym Source
rel-(5aR,7aR,8aR,10aS,14aR,14bR,16aR,16bS)-5,5,7a,8a,10a,11,11,14a,16b-Nonamethylicosahydronaphtho[2,1-b]oxepino[4,3-g][1]benzoxepin-3(2H)-one ChEBI
Citation Waiting for Citations Type Source
21438586 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:oxacycle(CHEBI:38104); ISA:carboxylic ester(CHEBI:33308); ISA:ether(CHEBI:25698); ISA:monocarboxylic acid(CHEBI:25384); ISA:carbonyl compound(CHEBI:36586);