EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H14N4O2 |
| Net Charge | 0 |
| Average Mass | 270.292 |
| Monoisotopic Mass | 270.11168 |
| SMILES | CC1OC23CCCCC2C(C#N)(C(=N)O3)C1(C#N)C#N |
| InChI | InChI=1S/C14H14N4O2/c1-9-12(6-15,7-16)13(8-17)10-4-2-3-5-14(10,19-9)20-11(13)18/h9-10,18H,2-5H2,1H3 |
| InChIKey | RASWCAKLSZMKOI-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| LSM-31434 (CHEBI:119991) is a oxacycle (CHEBI:38104) |
| Manual Xrefs | Databases |
|---|---|
| LSM-31434 | LINCS |