EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H18N2O2 |
| Net Charge | 0 |
| Average Mass | 234.299 |
| Monoisotopic Mass | 234.13683 |
| SMILES | Cc1cc(C(=O)NCCC2=CCCCC2)no1 |
| InChI | InChI=1S/C13H18N2O2/c1-10-9-12(15-17-10)13(16)14-8-7-11-5-3-2-4-6-11/h5,9H,2-4,6-8H2,1H3,(H,14,16) |
| InChIKey | AAXJCMUPNOBCPU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide (CHEBI:112326) is a aromatic amide (CHEBI:62733) |
| N-[2-(1-cyclohexenyl)ethyl]-5-methyl-3-isoxazolecarboxamide (CHEBI:112326) is a heteroarene (CHEBI:33833) |
| Manual Xrefs | Databases |
|---|---|
| LSM-23738 | LINCS |