EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H24O4 |
| Net Charge | 0 |
| Average Mass | 292.375 |
| Monoisotopic Mass | 292.16746 |
| SMILES | CC1(C)CC(=O)C(CC2C(=O)CC(C)(C)CC2=O)C(=O)C1 |
| InChI | InChI=1S/C17H24O4/c1-16(2)6-12(18)10(13(19)7-16)5-11-14(20)8-17(3,4)9-15(11)21/h10-11H,5-9H2,1-4H3 |
| InChIKey | JSCUZLUQVFQIII-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(4,4-dimethyl-2,6-dioxocyclohexyl)methyl]-5,5-dimethylcyclohexane-1,3-dione (CHEBI:114594) is a β-diketone (CHEBI:67265) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26056 | LINCS |