EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C13H20O |
| Net Charge | 0 |
| Average Mass | 192.302 |
| Monoisotopic Mass | 192.15142 |
| SMILES | CC(=O)/C=C/C1C(C)=CCCC1(C)C |
| InChI | InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6-8,12H,5,9H2,1-4H3/b8-7+ |
| InChIKey | UZFLPKAIBPNNCA-BQYQJAHWSA-N |
| 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. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| α-ionone (CHEBI:32319) is a enone (CHEBI:51689) |
| α-ionone (CHEBI:32319) is a ionone (CHEBI:49248) |
| α-ionone (CHEBI:32319) is a methyl ketone (CHEBI:51867) |
| Incoming Relation(s) |
| 3-hydroxy-α-ionone (CHEBI:67266) has functional parent α-ionone (CHEBI:32319) |
| α-irone (CHEBI:10284) has functional parent α-ionone (CHEBI:32319) |
| IUPAC Name |
|---|
| (3E)-4-(2,6,6-trimethylcyclohex-2-en-1-yl)but-3-en-2-one |
| Synonyms | Source |
|---|---|
| alpha-Ionone | KEGG COMPOUND |
| alpha-cyclocitrylideneacetone | ChemIDplus |
| α-(E)-ionone | NIST Chemistry WebBook |
| (E)-α-Ionone | NIST Chemistry WebBook |
| trans-α-Ionone | NIST Chemistry WebBook |
| α-Ionon | ChEBI |