EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H9N3O |
| Net Charge | 0 |
| Average Mass | 211.224 |
| Monoisotopic Mass | 211.07456 |
| SMILES | O=C1Nc2ccccc2C1=Cc1cncn1 |
| InChI | InChI=1S/C12H9N3O/c16-12-10(5-8-6-13-7-14-8)9-3-1-2-4-11(9)15-12/h1-7H,(H,13,14)(H,15,16) |
| InChIKey | VEEGZPWAAPPXRB-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 3-(1H-imidazol-5-ylmethylidene)-1H-indol-2-one (CHEBI:92147) is a indoles (CHEBI:24828) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2166 | LINCS |