EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H27N3O3 |
| Net Charge | 0 |
| Average Mass | 393.487 |
| Monoisotopic Mass | 393.20524 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CNC(=O)c3ccncc3)N(C(=O)CC)[C@H]2CO)cc1 |
| InChI | InChI=1S/C23H27N3O3/c1-3-5-16-6-8-17(9-7-16)22-19(26(20(22)15-27)21(28)4-2)14-25-23(29)18-10-12-24-13-11-18/h3,5-13,19-20,22,27H,4,14-15H2,1-2H3,(H,25,29)/t19-,20+,22+/m1/s1 |
| InChIKey | UEFOLBWVTVSDRS-URVUXULASA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40347 (CHEBI:128795) is a azetidines (CHEBI:38777) |
| LSM-40347 (CHEBI:128795) is a benzenes (CHEBI:22712) |
| LSM-40347 (CHEBI:128795) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40347 | LINCS |