EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H15NO3 |
| Net Charge | 0 |
| Average Mass | 293.322 |
| Monoisotopic Mass | 293.10519 |
| SMILES | Cc1ccc(C(=O)OCC(=O)c2cnc3ccccc23)cc1 |
| InChI | InChI=1S/C18H15NO3/c1-12-6-8-13(9-7-12)18(21)22-11-17(20)15-10-19-16-5-3-2-4-14(15)16/h2-10,19H,11H2,1H3 |
| InChIKey | DIFBWLKLJKGVGQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-methylbenzoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester (CHEBI:109451) is a benzoate ester (CHEBI:36054) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20849 | LINCS |