CHEBI:69142 - aignopsane ketal

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name aignopsane ketal
ChEBI ID CHEBI:69142
Definition A natural product found in Cacospongia mycofijiensis.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C17H28O3
Net Charge 0
Average Mass 280.40240
Monoisotopic Mass 280.20384
InChI InChI=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
InChIKey IDSAEMFQCPUIHH-JCURWCKSSA-N
SMILES COC(CC1=CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O)OC
Metabolite of Species Details
Cacospongia mycofijiensis (NCBI:txid1162744) 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 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)
Citation Waiting for Citations Type Source
22129061 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:ketone(CHEBI:17087); ISA:acetal(CHEBI:59769);