EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H26O4 |
| Net Charge | 0 |
| Average Mass | 294.391 |
| Monoisotopic Mass | 294.18311 |
| SMILES | CCCCCCCCCCCC1C(=O)C(=O)CC(=O)C1=O |
| InChI | InChI=1S/C17H26O4/c1-2-3-4-5-6-7-8-9-10-11-13-16(20)14(18)12-15(19)17(13)21/h13H,2-12H2,1H3 |
| InChIKey | FNQDSLSOLMXCMU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-undecylcyclohexane-1,2,4,5-tetrone (CHEBI:93514) is a β-diketone (CHEBI:67265) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3937 | LINCS |