EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H13NO3 |
| Net Charge | 0 |
| Average Mass | 243.262 |
| Monoisotopic Mass | 243.08954 |
| SMILES | CC1=CC(=O)C(=CNc2cccc(C)c2)C(=O)O1 |
| InChI | InChI=1S/C14H13NO3/c1-9-4-3-5-11(6-9)15-8-12-13(16)7-10(2)18-14(12)17/h3-8,15H,1-2H3 |
| InChIKey | IOIMHJGXAGDBNG-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-methyl-3-[(3-methylanilino)methylidene]pyran-2,4-dione (CHEBI:120764) is a aminotoluene (CHEBI:22531) |
| Manual Xrefs | Databases |
|---|---|
| LSM-32206 | LINCS |