EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N6O5 |
| Net Charge | 0 |
| Average Mass | 320.265 |
| Monoisotopic Mass | 320.08692 |
| SMILES | COC1=CC([N+](=O)[O-])=CC(=CNNC(=O)Cn2cncn2)C1=O |
| InChI | InChI=1S/C12H12N6O5/c1-23-10-3-9(18(21)22)2-8(12(10)20)4-14-16-11(19)5-17-7-13-6-15-17/h2-4,6-7,14H,5H2,1H3,(H,16,19) |
| InChIKey | PKKUZHWVTBXEPU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N'-[(5-methoxy-3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-(1,2,4-triazol-1-yl)acetohydrazide (CHEBI:115599) is a quinomethanes (CHEBI:52404) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27056 | LINCS |