EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C17H19NO3 |
| Net Charge | 0 |
| Average Mass | 285.343 |
| Monoisotopic Mass | 285.13649 |
| SMILES | O=C(C=CC=Cc1ccc2c(c1)OCO2)N1CCCCC1 |
| InChI | InChI=1S/C17H19NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h2-3,6-9,12H,1,4-5,10-11,13H2 |
| InChIKey | MXXWOMGUGJBKIW-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 5-(1,3-benzodioxol-5-yl)-1-(1-piperidinyl)-1-penta-2,4-dienone (CHEBI:93043) is a benzodioxoles (CHEBI:38298) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3322 | LINCS |