(-)-Isoshyobunone (CHEBI:68150)

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ChEBI Name	(-)-Isoshyobunone

ChEBI ID	CHEBI:68150

Definition	A natural product found in Acorus calamus.

Stars	This entity has been manually annotated by a third party.

Supplier Information

Download	Molfile XML SDF

Formula

C15H24O

Net Charge

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

InChIKey

YMIHAYABXZORPU-SWLSCSKDSA-N

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.

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	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);