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CHEBI:50042 - α-thujone
| ChEBI ID | CHEBI:50042 |
| ChEBI Name | α-thujone |
| Stars | |
| ASCII Name | alpha-thujone |
| Definition | The rel-(1R,4S,5S)-stereoisomer of thujone. |
| Last Modified | 19 March 2014 |
| Submitter | Kirill Degtyarenko |
| Formula | C10H16O |
| Net Charge | 0 |
| Average Mass | 152.234 |
| Monoisotopic Mass | 152.12012 |
| 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) |
| α-thujone (CHEBI:50042) is a thujone (CHEBI:50040) |
| Incoming Relation(s) |
| (+)-α-thujone (CHEBI:50043) is a α-thujone (CHEBI:50042) |
| (−)-α-thujone (CHEBI:9577) is a α-thujone (CHEBI:50042) |
| IUPAC Names |
|---|
| rel-(1R,4S,5S)-4-methyl-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one |
| rel-(1R,4S,5S)-thujan-3-one |
| Synonym | Source |
|---|---|
| rel-(1R,4S,5S)-1-isopropyl-4-methylbicyclo[3.1.0]hexan-3-one | IUPAC |
| Registry Numbers | Sources |
|---|---|
| Beilstein:3934892 | Beilstein |