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CHEBI:68151 - (-)-Acorenone

ChEBI IDCHEBI:68151
ChEBI Name(-)-Acorenone
Stars
DefinitionA natural product found in Acorus calamus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESCC1=CC[C@]2(CC1=O)[C@@H](C)CC[C@H]2C(C)C
InChIInChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m0/s1
InChIKeyHBTHUBMUAHAWBC-YDHLFZDLSA-N
Species of MetaboliteComponentSourceComments
Acorus calamus (ncbitaxon:4465) rhizome (BTO:0001181) PubMed (21563811) Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether
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)
(-)-Acorenone (CHEBI:68151) has role metabolite (CHEBI:25212)
(-)-Acorenone (CHEBI:68151) is a enol ether (CHEBI:47985)
(-)-Acorenone (CHEBI:68151) is a enone (CHEBI:51689)
Synonym  Source
(1S,4S,5S)-1-Isopropyl-4,8-dimethylspiro[4.5]dec-8-en-7-oneChEBI
Citations