EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H31N3O3 |
| Net Charge | 0 |
| Average Mass | 385.508 |
| Monoisotopic Mass | 385.23654 |
| SMILES | COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1 |
| InChI | InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3 |
| InChIKey | AYYCFGDXLUPJAQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 8-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CHEBI:92539) is a piperazines (CHEBI:26144) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2673 | LINCS |