EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H6N2O3 |
| Net Charge | 0 |
| Average Mass | 202.169 |
| Monoisotopic Mass | 202.03784 |
| SMILES | N#CC(C#N)=Cc1cc(O)c(O)c(O)c1 |
| InChI | InChI=1S/C10H6N2O3/c11-4-7(5-12)1-6-2-8(13)10(15)9(14)3-6/h1-3,13-15H |
| InChIKey | YZOFLYUAQDJWKV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3,4,5-trihydroxyphenyl)methylidene]propanedinitrile (CHEBI:92063) is a benzenetriol (CHEBI:22707) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2054 | LINCS |