EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H24N2O4 |
| Net Charge | 0 |
| Average Mass | 332.400 |
| Monoisotopic Mass | 332.17361 |
| SMILES | CCc1cc2c(CN3CCN(CCO)CC3)cc(=O)oc2cc1O |
| InChI | InChI=1S/C18H24N2O4/c1-2-13-9-15-14(10-18(23)24-17(15)11-16(13)22)12-20-5-3-19(4-6-20)7-8-21/h9-11,21-22H,2-8,12H2,1H3 |
| InChIKey | JQAWKPMGFWIPSL-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-ethyl-7-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-1-benzopyran-2-one (CHEBI:109056) is a hydroxycoumarin (CHEBI:37912) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20454 | LINCS |