EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H32N2O4 |
| Net Charge | 0 |
| Average Mass | 388.508 |
| Monoisotopic Mass | 388.23621 |
| SMILES | CC=Cc1ccc([C@@H]2[C@@H](CO)N(C(C)=O)[C@H]2CN(C(=O)COC)C(C)C)cc1 |
| InChI | InChI=1S/C22H32N2O4/c1-6-7-17-8-10-18(11-9-17)22-19(24(16(4)26)20(22)13-25)12-23(15(2)3)21(27)14-28-5/h6-11,15,19-20,22,25H,12-14H2,1-5H3/t19-,20+,22-/m0/s1 |
| InChIKey | HKSWFDSECWATDS-VWPQPMDRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-39104 (CHEBI:131316) is a azetidines (CHEBI:38777) |
| LSM-39104 (CHEBI:131316) is a benzenes (CHEBI:22712) |
| LSM-39104 (CHEBI:131316) is a ring assembly (CHEBI:36820) |
| Manual Xrefs | Databases |
|---|---|
| LSM-39104 | LINCS |