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CHEBI:67251 - β-damascenone
| Formula | C13H18O |
| Net Charge | 0 |
| Average Mass | 190.286 |
| Monoisotopic Mass | 190.13577 |
| SMILES | C/C=C/C(=O)C1=C(C)C=CCC1(C)C |
| InChI | InChI=1S/C13H18O/c1-5-7-11(14)12-10(2)8-6-9-13(12,3)4/h5-8H,9H2,1-4H3/b7-5+ |
| InChIKey | POIARNZEYGURDG-FNORWQNLSA-N |
| Wikipedia |
|---|
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Cirsium palustre (ncbitaxon:143190) | root (BTO:0001188) | PubMed (22474978) |
| Roles Classification |
|---|
| Biological Roles: | volatile oil component Any plant metabolite that is found naturally as a component of a volatile oil. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. |
| Application: | fragrance A substance, extract, or preparation for diffusing or imparting an agreeable or attractive smell. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| β-damascenone (CHEBI:67251) has role fragrance (CHEBI:48318) |
| β-damascenone (CHEBI:67251) has role plant metabolite (CHEBI:76924) |
| β-damascenone (CHEBI:67251) has role volatile oil component (CHEBI:27311) |
| β-damascenone (CHEBI:67251) is a apo carotenoid monoterpenoid (CHEBI:49247) |
| β-damascenone (CHEBI:67251) is a cyclic monoterpene ketone (CHEBI:23446) |
| β-damascenone (CHEBI:67251) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (2E)-1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)but-2-en-1-one |
| Synonyms | Source |
|---|---|
| (2E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one | NIST Chemistry WebBook |
| damascenone | NIST Chemistry WebBook |
| (E)-1-(2,6,6-Trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one | ChemIDplus |
| (E)-1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-2-buten-1-one | NIST Chemistry WebBook |
| (E)-β-damascenone | NIST Chemistry WebBook |
| trans-damascenone | NIST Chemistry WebBook |
| Manual Xrefs | Databases |
|---|---|
| Damascenone | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:2046080 | Reaxys |
| CAS:23726-93-4 | NIST Chemistry WebBook |
| CAS:23726-93-4 | ChemIDplus |
| Citations |
|---|