EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:68150 - (-)-Isoshyobunone

ChEBI IDCHEBI:68150
ChEBI Name(-)-Isoshyobunone
Stars
DefinitionA natural product found in Acorus calamus.
Last Modified22 September 2014
DownloadsMolfile
FormulaC15H24O
Net Charge0
Average Mass220.356
Monoisotopic Mass220.18272
SMILESC=C[C@]1(C)CC[C@@H](C(C)C)C(=O)C1=C(C)C
InChIInChI=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
InChIKeyYMIHAYABXZORPU-SWLSCSKDSA-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)
(-)-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-vinylcyclohexanoneChEBI
Citations