EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C23H25NO4 |
| Net Charge | 0 |
| Average Mass | 379.456 |
| Monoisotopic Mass | 379.17836 |
| SMILES | CCc1ccc2c(CN3CCc4cc(OC)c(OC)cc4C3)cc(=O)oc2c1 |
| InChI | InChI=1S/C23H25NO4/c1-4-15-5-6-19-18(12-23(25)28-20(19)9-15)14-24-8-7-16-10-21(26-2)22(27-3)11-17(16)13-24/h5-6,9-12H,4,7-8,13-14H2,1-3H3 |
| InChIKey | NNKOHTRHDXDDIU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-ethyl-1-benzopyran-2-one (CHEBI:93669) is a coumarins (CHEBI:23403) |
| Manual Xrefs | Databases |
|---|---|
| LSM-4145 | LINCS |