EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C8H12O |
| Net Charge | 0 |
| Average Mass | 124.183 |
| Monoisotopic Mass | 124.08882 |
| SMILES | C=CC(=O)C/C=C/CC |
| InChI | InChI=1S/C8H12O/c1-3-5-6-7-8(9)4-2/h4-6H,2-3,7H2,1H3/b6-5+ |
| InChIKey | VWYBQOFZVSNDAW-AATRIKPKSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1,5-Octadien-3-one (CHEBI:195671) is a enone (CHEBI:51689) |
| IUPAC Name |
|---|
| (5E)-octa-1,5-dien-3-one |
| Manual Xrefs | Databases |
|---|---|
| 4509690 | ChemSpider |
| HMDB0032447 | HMDB |