EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H14ClNO4 |
| Net Charge | 0 |
| Average Mass | 391.810 |
| Monoisotopic Mass | 391.06114 |
| SMILES | O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 |
| InChI | InChI=1S/C22H14ClNO4/c23-15-11-9-14(10-12-15)19(25)13-28-20-8-4-3-7-18(20)24-21(26)16-5-1-2-6-17(16)22(24)27/h1-12H,13H2 |
| InChIKey | UPRRHVQGUIXWEW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[2-[2-(4-chlorophenyl)-2-oxoethoxy]phenyl]isoindole-1,3-dione (CHEBI:112748) is a aromatic ketone (CHEBI:76224) |
| Manual Xrefs | Databases |
|---|---|
| LSM-24158 | LINCS |