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CHEBI:67817 - cupacinoxepin, (rel)-

ChEBI IDCHEBI:67817
ChEBI Namecupacinoxepin, (rel)-
Stars
DefinitionA natural product found in Cupania cinerea.
Last Modified22 September 2014
DownloadsMolfile
FormulaC31H52O3
Net Charge0
Average Mass472.754
Monoisotopic Mass472.39165
SMILES[H][C@]12CC[C@]3([H])[C@@]4(C)CCCC(C)(C)[C@]4(C)CC[C@@]3(C)O[C@]1(C)CC[C@@]1([H])C(C)(C)OC(=O)CC[C@]21C
InChIInChI=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
InChIKeyZOSNTVJOXIRCCT-ISLDYSMMSA-N
Species of MetaboliteComponentSourceComments
Cupania cinerea (ncbitaxon:298314) bark (BTO:0001301) PubMed (21438586) Crude n-hexane extract of dried and powdered 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)
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)-oneChEBI
Citations