EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C11H13NO3 |
| Net Charge | 0 |
| Average Mass | 207.229 |
| Monoisotopic Mass | 207.08954 |
| SMILES | Cc1cccc(NC(=O)CCC(=O)O)c1 |
| InChI | InChI=1S/C11H13NO3/c1-8-3-2-4-9(7-8)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15) |
| InChIKey | VRJAEQGSNATVEE-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(3-methylanilino)-4-oxobutanoic acid (CHEBI:94051) is a anilide (CHEBI:13248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4651 | LINCS |