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 | CC(=O)/C=C/C(C)C |
| InChI | InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h4-6H,1-3H3/b5-4+ |
| InChIKey | IYMKNYVCXUEFJE-SNAWJCMRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-Methyl-3E-hexen-2-one (CHEBI:195655) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (E)-5-methylhex-3-en-2-one |
| Manual Xrefs | Databases |
|---|---|
| D91593 | KEGG DRUG |
| 4515526 | ChemSpider |
| LMFA12000010 | LIPID MAPS |