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CHEBI:69133 - methyl aignopsanoate

ChEBI IDCHEBI:69133
ChEBI Namemethyl aignopsanoate
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC16H24O3
Net Charge0
Average Mass264.365
Monoisotopic Mass264.17254
SMILESCOC(=O)/C=C1/CC[C@]2(C)[C@@H](C)CCC[C@]2(C)C1=O
InChIInChI=1S/C16H24O3/c1-11-6-5-8-16(3)14(18)12(10-13(17)19-4)7-9-15(11,16)2/h10-11H,5-9H2,1-4H3/b12-10-/t11-,15+,16+/m0/s1
InChIKeyCJQOKVDQHHONIF-USYVDOKNSA-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)
methyl aignopsanoate (CHEBI:69133) has role metabolite (CHEBI:25212)
methyl aignopsanoate (CHEBI:69133) is a cyclohexanones (CHEBI:23482)
Synonym  Source
(2Z)-2-[(4aR,5S,8aS)-4a,5,8a-trimethyl-1-oxo-3,4,5,6,7,8-hexahydronaphthalen-2-ylidene]acetateChEBI
Citations