EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H12O3 |
| Net Charge | 0 |
| Average Mass | 252.269 |
| Monoisotopic Mass | 252.07864 |
| SMILES | COc1ccc2occ(C(=O)c3ccccc3)c2c1 |
| InChI | InChI=1S/C16H12O3/c1-18-12-7-8-15-13(9-12)14(10-19-15)16(17)11-5-3-2-4-6-11/h2-10H,1H3 |
| InChIKey | WBIYZPQWXHJJEE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5-methoxy-3-benzofuranyl)-phenylmethanone (CHEBI:109154) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20551 | LINCS |