EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H15N3O6 |
| Net Charge | 0 |
| Average Mass | 297.267 |
| Monoisotopic Mass | 297.09609 |
| SMILES | O=c1n(C[C@H]2CO2)c(=O)n(C[C@@H]2CO2)c(=O)n1C[C@@H]1CO1 |
| InChI | InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2/t7-,8-,9+/m1/s1 |
| InChIKey | OUPZKGBUJRBPGC-HLTSFMKQSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| teroxirone (CHEBI:747490) is a organic molecular entity (CHEBI:50860) |
| Manual Xrefs | Databases |
|---|---|
| D06080 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| CAS:59653-73-5 | KEGG DRUG |