EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C21H32N2O |
| Net Charge | 0 |
| Average Mass | 328.500 |
| Monoisotopic Mass | 328.25146 |
| SMILES | C[C@]12Cc3cnnc3C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(C)O |
| InChI | InChI=1S/C21H32N2O/c1-19-11-13-12-22-23-18(13)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,24H,4-11H2,1-3H3,(H,22,23)/t14-,15+,16+,17+,19-,20-,21-/m0/s1 |
| InChIKey | LKAJKIOFIWVMDJ-XJKGWNRQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-5853 (CHEBI:94749) has parent hydride estrane (CHEBI:23966) |
| LSM-5853 (CHEBI:94749) is a steroid (CHEBI:35341) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5853 | LINCS |