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](CO)N(C(C)=O)[C@@H]2CN(C)C(=O)c2ccccn2)cc1 |
| InChI | InChI=1S/C23H27N3O3/c1-4-7-17-9-11-18(12-10-17)22-20(26(16(2)28)21(22)15-27)14-25(3)23(29)19-8-5-6-13-24-19/h4-13,20-22,27H,14-15H2,1-3H3/t20-,21-,22+/m1/s1 |
| InChIKey | WPXBDGFNEBLHLG-VSKRKVRLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-41951 (CHEBI:130402) is a azetidines (CHEBI:38777) |
| LSM-41951 (CHEBI:130402) is a benzenes (CHEBI:22712) |
| LSM-41951 (CHEBI:130402) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-41951 | LINCS |