EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H16O4 |
| Net Charge | 0 |
| Average Mass | 236.267 |
| Monoisotopic Mass | 236.10486 |
| SMILES | O=C1CCCC(=O)C1CC1C(=O)CCCC1=O |
| InChI | InChI=1S/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2 |
| InChIKey | ILUMEPMGPCKGHH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione (CHEBI:108604) is a β-diketone (CHEBI:67265) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19994 | LINCS |