EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C10H6N2O2 |
| Net Charge | 0 |
| Average Mass | 186.170 |
| Monoisotopic Mass | 186.04293 |
| SMILES | N#CC(C#N)=Cc1ccc(O)c(O)c1 |
| InChI | InChI=1S/C10H6N2O2/c11-5-8(6-12)3-7-1-2-9(13)10(14)4-7/h1-4,13-14H |
| InChIKey | VTJXFTPMFYAJJU-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 2-[(3,4-dihydroxyphenyl)methylidene]propanedinitrile (CHEBI:92862) is a catechols (CHEBI:33566) |
| Manual Xrefs | Databases |
|---|---|
| LSM-3091 | LINCS |