EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H17NO4 |
| Net Charge | 0 |
| Average Mass | 311.337 |
| Monoisotopic Mass | 311.11576 |
| SMILES | CCC(=O)c1cc2c(cc1NC(=O)c1ccccc1)OCCO2 |
| InChI | InChI=1S/C18H17NO4/c1-2-15(20)13-10-16-17(23-9-8-22-16)11-14(13)19-18(21)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H,19,21) |
| InChIKey | QKBNPRMECRQFOQ-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[7-(1-oxopropyl)-2,3-dihydro-1,4-benzodioxin-6-yl]benzamide (CHEBI:123313) is a benzodioxine (CHEBI:64096) |
| Manual Xrefs | Databases |
|---|---|
| LSM-34756 | LINCS |