EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C20H20N2O3 |
| Net Charge | 0 |
| Average Mass | 336.391 |
| Monoisotopic Mass | 336.14739 |
| SMILES | O=[N+]1C=C(c2ccc(Oc3ccccc3)cc2)N([O-])C2CCCCC21 |
| InChI | InChI=1S/C20H20N2O3/c23-21-14-20(22(24)19-9-5-4-8-18(19)21)15-10-12-17(13-11-15)25-16-6-2-1-3-7-16/h1-3,6-7,10-14,18-19H,4-5,8-9H2 |
| InChIKey | QUQPREFMDUPVMG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-oxido-3-(4-phenoxyphenyl)-4a,5,6,7,8,8a-hexahydroquinoxalin-1-ium 1-oxide (CHEBI:109712) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-21140 | LINCS |