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CHEBI:69132 - aignopsanoic acid A

Default Structure
ChEBI IDCHEBI:69132
ChEBI Nameaignopsanoic acid A
Stars
DefinitionA natural product found in Cacospongia mycofijiensis.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H22O3
Net Charge0
Average Mass250.338
Monoisotopic Mass250.15689
SMILESC[C@H]1CCC[C@]2(C)C(=O)/C(=C\C(=O)O)CC[C@]12C
InChIInChI=1S/C15H22O3/c1-10-5-4-7-15(3)13(18)11(9-12(16)17)6-8-14(10,15)2/h9-10H,4-8H2,1-3H3,(H,16,17)/b11-9-/t10-,14+,15+/m0/s1
InChIKeyRIUVXDXRPZIYCQ-HRUWLGOTSA-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)
aignopsanoic acid A (CHEBI:69132) has role metabolite (CHEBI:25212)
aignopsanoic acid A (CHEBI:69132) 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]acetic acidChEBI
Citations