EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C24H25NO4 |
| Net Charge | 0 |
| Average Mass | 391.467 |
| Monoisotopic Mass | 391.17836 |
| SMILES | CCOC(=O)C1=CN(Cc2ccccc2)C=C(C(=O)OCC)C1c1ccccc1 |
| InChI | InChI=1S/C24H25NO4/c1-3-28-23(26)20-16-25(15-18-11-7-5-8-12-18)17-21(24(27)29-4-2)22(20)19-13-9-6-10-14-19/h5-14,16-17,22H,3-4,15H2,1-2H3 |
| InChIKey | JOHFECBOWRGWJZ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-phenyl-1-(phenylmethyl)-4H-pyridine-3,5-dicarboxylic acid diethyl ester (CHEBI:125644) is a dihydropyridine (CHEBI:50075) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37205 | LINCS |