EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C7H12O |
| Net Charge | 0 |
| Average Mass | 112.172 |
| Monoisotopic Mass | 112.08882 |
| SMILES | C/C=C(\C)C(=O)CC |
| InChI | InChI=1S/C7H12O/c1-4-6(3)7(8)5-2/h4H,5H2,1-3H3/b6-4+ |
| InChIKey | LJQNVNNQRWKTJP-GQCTYLIASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-Methyl-4E-hexen-3-one (CHEBI:195665) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (E)-4-methylhex-4-en-3-one |
| Manual Xrefs | Databases |
|---|---|
| 4516863 | ChemSpider |
| LMFA12000080 | LIPID MAPS |