EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H16O2 |
| Net Charge | 0 |
| Average Mass | 240.302 |
| Monoisotopic Mass | 240.11503 |
| SMILES | CCC(=O)CCC(=O)c1ccc2ccccc2c1 |
| InChI | InChI=1S/C16H16O2/c1-2-15(17)9-10-16(18)14-8-7-12-5-3-4-6-13(12)11-14/h3-8,11H,2,9-10H2,1H3 |
| InChIKey | HVJXZZHMSDQQCF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(2-naphthalenyl)hexane-1,4-dione (CHEBI:114672) is a butanone (CHEBI:22951) |
| Manual Xrefs | Databases |
|---|---|
| LSM-26134 | LINCS |