EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H33N3O3 |
| Net Charge | 0 |
| Average Mass | 387.524 |
| Monoisotopic Mass | 387.25219 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CN(C)C(=O)CC)N(C(=O)NC(C)C)[C@H]2CO)cc1 |
| InChI | InChI=1S/C22H33N3O3/c1-6-8-16-9-11-17(12-10-16)21-18(13-24(5)20(27)7-2)25(19(21)14-26)22(28)23-15(3)4/h6,8-12,15,18-19,21,26H,7,13-14H2,1-5H3,(H,23,28)/t18-,19+,21-/m1/s1 |
| InChIKey | YDHFMTCRVQBOGL-SVFBPWRDSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-39881 (CHEBI:128326) is a azetidines (CHEBI:38777) |
| LSM-39881 (CHEBI:128326) is a benzenes (CHEBI:22712) |
| LSM-39881 (CHEBI:128326) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39881 | LINCS |