EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H24N4O3 |
| Net Charge | 0 |
| Average Mass | 392.459 |
| Monoisotopic Mass | 392.18484 |
| SMILES | CC=Cc1ccc([C@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(C)=O)C3)cc1 |
| InChI | InChI=1S/C22H24N4O3/c1-3-4-16-5-7-17(8-6-16)20-19(12-27)26(21(29)18-11-23-9-10-24-18)22(20)13-25(14-22)15(2)28/h3-11,19-20,27H,12-14H2,1-2H3/t19-,20+/m1/s1 |
| InChIKey | RHDDCWUFKHLUPH-UXHICEINSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-38702 (CHEBI:127140) is a azetidines (CHEBI:38777) |
| LSM-38702 (CHEBI:127140) is a benzenes (CHEBI:22712) |
| LSM-38702 (CHEBI:127140) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38702 | LINCS |