EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H23N3O3 |
| Net Charge | 0 |
| Average Mass | 377.444 |
| Monoisotopic Mass | 377.17394 |
| SMILES | CC=Cc1ccc([C@H]2[C@H]3CN(C(=O)c4ccncc4)CC(=O)N3[C@H]2CO)cc1 |
| InChI | InChI=1S/C22H23N3O3/c1-2-3-15-4-6-16(7-5-15)21-18-12-24(13-20(27)25(18)19(21)14-26)22(28)17-8-10-23-11-9-17/h2-11,18-19,21,26H,12-14H2,1H3/t18-,19+,21+/m1/s1 |
| InChIKey | BOAKHLQELDSFEV-DYXWJJEUSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-40458 (CHEBI:128906) is a azetidines (CHEBI:38777) |
| LSM-40458 (CHEBI:128906) is a benzenes (CHEBI:22712) |
| LSM-40458 (CHEBI:128906) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-40458 | LINCS |