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CHEBI:173714 - beta-Kessyl ketone

ChEBI IDCHEBI:173714
ChEBI Namebeta-Kessyl ketone
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H24O2
Net Charge0
Average Mass236.355
Monoisotopic Mass236.17763
SMILES[H][C@]12C(=O)C[C@@H](C)[C@@]1([H])C[C@]1(C(C)C)CC[C@@]2(C)O1
InChIInChI=1S/C15H24O2/c1-9(2)15-6-5-14(4,17-15)13-11(8-15)10(3)7-12(13)16/h9-11,13H,5-8H2,1-4H3/t10-,11-,13-,14-,15+/m1/s1
InChIKeyCSLBUZGPLRECOR-BBIZWXPBSA-N
ChEBI Ontology
Outgoing Relation(s)
beta-Kessyl ketone (CHEBI:173714) is a sesquiterpenoid (CHEBI:26658)
IUPAC Name 
(1R,2S,5R,6R,8S)-1,5-dimethyl-8-propan-2-yl-11-oxatricyclo[6.2.1.02,6]undecan-3-one
Manual XrefsDatabases
103883059ChemSpider