EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H21NO3 |
| Net Charge | 0 |
| Average Mass | 287.359 |
| Monoisotopic Mass | 287.15214 |
| SMILES | C[C@@H]1CC=CCCNC(=O)[C@H](c2ccccc2)COC1=O |
| InChI | InChI=1S/C17H21NO3/c1-13-8-4-3-7-11-18-16(19)15(12-21-17(13)20)14-9-5-2-6-10-14/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,18,19)/t13-,15+/m1/s1 |
| InChIKey | LZTPXYPEJJPIML-HIFRSBDPSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36771 (CHEBI:125300) is a azamacrocycle (CHEBI:52898) |
| LSM-36771 (CHEBI:125300) is a lactam (CHEBI:24995) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36771 | LINCS |