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(=O)Cc3cccnc3)[C@H]2CNC(C)=O)cc1 |
| InChI | InChI=1S/C23H27N3O3/c1-3-5-17-7-9-19(10-8-17)23-20(14-25-16(2)28)26(21(23)15-27)22(29)12-18-6-4-11-24-13-18/h3-11,13,20-21,23,27H,12,14-15H2,1-2H3,(H,25,28)/t20-,21+,23-/m0/s1 |
| InChIKey | NGLDGHULOYFZMR-XJUOHMSHSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38074 (CHEBI:126510) is a azetidines (CHEBI:38777) |
| LSM-38074 (CHEBI:126510) is a benzenes (CHEBI:22712) |
| LSM-38074 (CHEBI:126510) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38074 | LINCS |