EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H15NO3 |
| Net Charge | 0 |
| Average Mass | 269.300 |
| Monoisotopic Mass | 269.10519 |
| SMILES | Cc1cc(C2C(=O)CC(=O)CC2c2ccccc2)on1 |
| InChI | InChI=1S/C16H15NO3/c1-10-7-15(20-17-10)16-13(8-12(18)9-14(16)19)11-5-3-2-4-6-11/h2-7,13,16H,8-9H2,1H3 |
| InChIKey | GZGDWGHQWNZRJL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3-methyl-5-isoxazolyl)-5-phenylcyclohexane-1,3-dione (CHEBI:121596) is a β-diketone (CHEBI:67265) |
| Manual Xrefs | Databases |
|---|---|
| LSM-33039 | LINCS |