EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H13N3O |
| Net Charge | 0 |
| Average Mass | 287.322 |
| Monoisotopic Mass | 287.10586 |
| SMILES | Cc1nn(-c2cccc3cccnc23)c(=O)c2ccccc12 |
| InChI | InChI=1S/C18H13N3O/c1-12-14-8-2-3-9-15(14)18(22)21(20-12)16-10-4-6-13-7-5-11-19-17(13)16/h2-11H,1H3 |
| InChIKey | XMYSTRUFPKBWBE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methyl-2-(8-quinolinyl)-1-phthalazinone (CHEBI:107954) is a phthalazines (CHEBI:38768) |
| Manual Xrefs | Databases |
|---|---|
| LSM-19331 | LINCS |