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CHEBI:141566 - 3-hexen-2-one
| Formula | C6H10O |
| Net Charge | 0 |
| Average Mass | 98.145 |
| Monoisotopic Mass | 98.07316 |
| SMILES | [H]C(CC)=C([H])C(C)=O |
| InChI | InChI=1S/C6H10O/c1-3-4-5-6(2)7/h4-5H,3H2,1-2H3 |
| InChIKey | LPCWMYHBLXLJJQ-UHFFFAOYSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Citrus aurantiifolia (ncbitaxon:159033) | fruit (BTO:0000486) | PubMed (22992784) | Isolated from fruit peel |
| 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) |
| 3-hexen-2-one (CHEBI:141566) has role plant metabolite (CHEBI:76924) |
| 3-hexen-2-one (CHEBI:141566) is a enone (CHEBI:51689) |
| 3-hexen-2-one (CHEBI:141566) is a methyl ketone (CHEBI:51867) |
| 3-hexen-2-one (CHEBI:141566) is a volatile organic compound (CHEBI:134179) |
| IUPAC Name |
|---|
| hex-3-en-2-one |
| Synonyms | Source |
|---|---|
| 3-Hexen-2-on | ChEBI |
| Hex-3-en-2-on | ChEBI |
| hex-3-en-5-one | ChEBI |
| 3-hexene-2-one | ChEBI |
| methyl-α-butenyl-ketone | ChEBI |
| 1-butenyl methyl ketone | ChemIDplus |
| Citations |
|---|