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CHEBI:50045 - (+)-β-thujone
| Formula | C10H16O |
| Net Charge | 0 |
| Average Mass | 152.237 |
| Monoisotopic Mass | 152.12012 |
| SMILES | [H][C@]12C[C@@]1(C(C)C)CC(=O)[C@H]2C |
| 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-/m0/s1 |
| InChIKey | USMNOWBWPHYOEA-XKSSXDPKSA-N |
| Roles Classification |
|---|
| Biological Role: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (+)-β-thujone (CHEBI:50045) is a β-thujone (CHEBI:50044) |
| (+)-β-thujone (CHEBI:50045) is enantiomer of (−)-β-thujone (CHEBI:50046) |
| Incoming Relation(s) |
| (−)-β-thujone (CHEBI:50046) is enantiomer of (+)-β-thujone (CHEBI:50045) |
| IUPAC Names |
|---|
| (1S,4S,5R)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one |
| (1S,4S,5R)-thujan-3-one |
| Synonyms | Source |
|---|---|
| (1S,4S,5R)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one | IUPAC |
| d-isothujone | ChemIDplus |
| [1S-(1α,4β,5α)]-4-methyl-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-one | NIST Chemistry WebBook |
| (1S,4S,5R)-(+)-3-thujanone | ChemIDplus |
| (+)-3-thujone | ChemIDplus |
| (+)-isothujone | ChemIDplus |