EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H13NO3 |
| Net Charge | 0 |
| Average Mass | 219.240 |
| Monoisotopic Mass | 219.08954 |
| SMILES | COc1cc2c(cc1OC)CC(=O)NC=C2 |
| InChI | InChI=1S/C12H13NO3/c1-15-10-5-8-3-4-13-12(14)7-9(8)6-11(10)16-2/h3-6H,7H2,1-2H3,(H,13,14) |
| InChIKey | CPNZASIAJKSBBH-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7,8-dimethoxy-1,3-dihydro-3-benzazepin-2-one (CHEBI:109655) is a benzazepine (CHEBI:35676) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21083 | LINCS |