EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H18N2O5 |
| Net Charge | 0 |
| Average Mass | 366.373 |
| Monoisotopic Mass | 366.12157 |
| SMILES | COc1ccc(C(=O)n2cc(C(=O)c3cc(C)ccc3O)cn2)cc1OC |
| InChI | InChI=1S/C20H18N2O5/c1-12-4-6-16(23)15(8-12)19(24)14-10-21-22(11-14)20(25)13-5-7-17(26-2)18(9-13)27-3/h4-11,23H,1-3H3 |
| InChIKey | MPMQKZNBYNBNSF-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (3,4-dimethoxyphenyl)-[4-[(2-hydroxy-5-methylphenyl)-oxomethyl]-1-pyrazolyl]methanone (CHEBI:112773) is a benzoylpyrazole (CHEBI:38318) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24183 | LINCS |