CHEBI:68150 - (-)-Isoshyobunone

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ChEBI Name (-)-Isoshyobunone
Definition A natural product found in Acorus calamus.
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C15H24O
Net Charge 0
Average Mass 220.35050
Monoisotopic Mass 220.18272
InChI InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12H,1,8-9H2,2-6H3/t12-,15+/m0/s1
SMILES CC(C)[C@@H]1CC[C@@](C)(C=C)C(=C(C)C)C1=O
Metabolite of Species Details
Acorus calamus (NCBI:txid4465) Found in rhizome (BTO:0001181). Dried and cut rhizomes(ground roots) extracted by maceration with petroleum ether 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.
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ChEBI Ontology
Outgoing (-)-Isoshyobunone (CHEBI:68150) has role metabolite (CHEBI:25212)
(-)-Isoshyobunone (CHEBI:68150) is a sesquiterpenoid (CHEBI:26658)
Synonym Source
(3S,6S)-6-Isopropyl-2-isopropylidene-3-methyl-3-vinylcyclohexanone ChEBI
Citation Waiting for Citations Type Source
21563811 PubMed citation Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17 Suggested Classification: ISA:cyclohexanones(CHEBI:23482); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689);