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 | COc1ccc2c(OC)cc(=O)n(C)c2c1 |
| InChI | InChI=1S/C12H13NO3/c1-13-10-6-8(15-2)4-5-9(10)11(16-3)7-12(13)14/h4-7H,1-3H3 |
| InChIKey | SXFIYFZKRCNLLT-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4,7-dimethoxy-1-methyl-2-quinolinone (CHEBI:105137) is a quinolines (CHEBI:26513) |
| Manual Xrefs | Databases |
|---|---|
| LSM-16500 | LINCS |