EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19NO3 |
| Net Charge | 0 |
| Average Mass | 285.343 |
| Monoisotopic Mass | 285.13649 |
| SMILES | CC(=O)C1C(c2ccccc2)c2c(noc2C)CC1(C)O |
| InChI | InChI=1S/C17H19NO3/c1-10(19)16-15(12-7-5-4-6-8-12)14-11(2)21-18-13(14)9-17(16,3)20/h4-8,15-16,20H,9H2,1-3H3 |
| InChIKey | PNBALNBXZGZUSR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 1-(6-hydroxy-3,6-dimethyl-4-phenyl-5,7-dihydro-4H-2,1-benzoxazol-5-yl)ethanone (CHEBI:109853) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21281 | LINCS |