EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C9H11N3O4 |
| Net Charge | 0 |
| Average Mass | 225.204 |
| Monoisotopic Mass | 225.07496 |
| SMILES | N=c1ccn2c(n1)O[C@@H]1C2O[C@H](CO)[C@H]1O |
| InChI | InChI=1S/C9H11N3O4/c10-5-1-2-12-8-7(16-9(12)11-5)6(14)4(3-13)15-8/h1-2,4,6-8,10,13-14H,3H2/t4-,6-,7+,8?/m1/s1 |
| InChIKey | BBDAGFIXKZCXAH-STUHELBRSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| (2R,3R,3aS)-2-(hydroxymethyl)-6-imino-2,3,3a,9a-tetrahydrofuro[1,2]oxazolo[3,4-a]pyrimidin-3-ol (CHEBI:103979) is a aromatic ether (CHEBI:35618) |
| Manual Xrefs | Databases |
|---|---|
| LSM-15333 | LINCS |