CHEBI:50046 - (−)-β-thujone

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ChEBI Name (−)-β-thujone
ChEBI ID CHEBI:50046
ChEBI ASCII Name (-)-beta-thujone
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H16O
Net Charge 0
Average Mass 152.23344
Monoisotopic Mass 152.120
InChI InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-8H,4-5H2,1-3H3/t7-,8+,10-/m1/s1
InChIKey USMNOWBWPHYOEA-KHQFGBGNSA-N
SMILES [H][C@@]12C[C@@]1(CC(=O)[C@@H]2C)C(C)C
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via thujone )
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ChEBI Ontology
Outgoing (−)-β-thujone (CHEBI:50046) is a β-thujone (CHEBI:50044)
(−)-β-thujone (CHEBI:50046) is enantiomer of (+)-β-thujone (CHEBI:50045)
Incoming (+)-β-thujone (CHEBI:50045) is enantiomer of (−)-β-thujone (CHEBI:50046)
IUPAC Names
(1R,4R,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one
(1R,4R,5S)-thujan-3-one
Synonym Source
(1R,4R,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one IUPAC
Registry Number Type Source
2500357 Beilstein Registry Number Beilstein
Last Modified
23 May 2008