EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H32N2O2 |
| Net Charge | 0 |
| Average Mass | 356.510 |
| Monoisotopic Mass | 356.24638 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CO)N(C(=O)C3CCCC3)[C@H]2CNCC)cc1 |
| InChI | InChI=1S/C22H32N2O2/c1-3-7-16-10-12-17(13-11-16)21-19(14-23-4-2)24(20(21)15-25)22(26)18-8-5-6-9-18/h3,7,10-13,18-21,23,25H,4-6,8-9,14-15H2,1-2H3/t19-,20+,21+/m0/s1 |
| InChIKey | WUTWOTUGUGYJMW-PWRODBHTSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-39386 (CHEBI:127830) is a azetidines (CHEBI:38777) |
| LSM-39386 (CHEBI:127830) is a benzenes (CHEBI:22712) |
| LSM-39386 (CHEBI:127830) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39386 | LINCS |