EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C22H22N2O5 |
| Net Charge | 0 |
| Average Mass | 394.427 |
| Monoisotopic Mass | 394.15287 |
| SMILES | COc1cc(C=CC(=O)N2C(=O)C=CCC2c2cccnc2)cc(OC)c1OC |
| InChI | InChI=1S/C22H22N2O5/c1-27-18-12-15(13-19(28-2)22(18)29-3)9-10-21(26)24-17(7-4-8-20(24)25)16-6-5-11-23-14-16/h4-6,8-14,17H,7H2,1-3H3 |
| InChIKey | NOGYLJPOBZIXGR-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-36615 (CHEBI:125150) has functional parent cinnamic acid (CHEBI:27386) |
| LSM-36615 (CHEBI:125150) is a olefinic compound (CHEBI:78840) |
| Manual Xrefs | Databases |
|---|---|
| LSM-36615 | LINCS |