EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H18N2O2 |
| Net Charge | 0 |
| Average Mass | 282.343 |
| Monoisotopic Mass | 282.13683 |
| SMILES | CC(C)c1ccc(/C=N/NC(=O)c2ccc(O)cc2)cc1 |
| InChI | InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+ |
| InChIKey | IKPPIUNQWSRCOZ-WOJGMQOQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| GSK 4716 (CHEBI:80000) is a monoterpenoid (CHEBI:25409) |
| Manual Xrefs | Databases |
|---|---|
| C15642 | KEGG COMPOUND |
| Registry Numbers | Sources |
|---|---|
| CAS:101574-65-6 | KEGG COMPOUND |