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CHEBI:69142 - aignopsane ketal

ChEBI IDCHEBI:69142
ChEBI Nameaignopsane ketal
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC17H28O3
Net Charge0
Average Mass280.408
Monoisotopic Mass280.20384
SMILESCOC(CC1=CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O)OC
InChIInChI=1S/C17H28O3/c1-12-7-6-9-17(3)15(18)13(8-10-16(12,17)2)11-14(19-4)20-5/h8,12,14H,6-7,9-11H2,1-5H3/t12-,16+,17+/m0/s1
InChIKeyIDSAEMFQCPUIHH-JCURWCKSSA-N
Species of MetaboliteComponentSourceComments
Cacospongia mycofijiensis (ncbitaxon:1162744) - PubMed (22129061)
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)
aignopsane ketal (CHEBI:69142) has role metabolite (CHEBI:25212)
aignopsane ketal (CHEBI:69142) is a enol ether (CHEBI:47985)
aignopsane ketal (CHEBI:69142) is a enone (CHEBI:51689)
Citations