EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C12H12N2O2 |
| Net Charge | 0 |
| Average Mass | 216.240 |
| Monoisotopic Mass | 216.08988 |
| SMILES | COc1ccc2nc3c(c2c1)CCNC3=O |
| InChI | InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15) |
| InChIKey | PWARHDUWOJUADN-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one (CHEBI:92770) is a β-carbolines (CHEBI:60834) |
| Manual Xrefs | Databases |
|---|---|
| LSM-2970 | LINCS |