EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C16H20N4O2 |
| Net Charge | 0 |
| Average Mass | 300.362 |
| Monoisotopic Mass | 300.15863 |
| SMILES | O=C1CCCc2cnnn2COC[C@H](Cc2ccccc2)N1 |
| InChI | InChI=1S/C16H20N4O2/c21-16-8-4-7-15-10-17-19-20(15)12-22-11-14(18-16)9-13-5-2-1-3-6-13/h1-3,5-6,10,14H,4,7-9,11-12H2,(H,18,21)/t14-/m0/s1 |
| InChIKey | RUCJHZKRGZSSFV-AWEZNQCLSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (5S)-5-(phenylmethyl)-3-oxa-1,6,13,14-tetrazabicyclo[9.3.0]tetradeca-11,13-dien-7-one (CHEBI:126908) is a benzenes (CHEBI:22712) |
| Manual Xrefs | Databases |
|---|---|
| LSM-38471 | LINCS |