EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C13H14N2O |
| Net Charge | 0 |
| Average Mass | 214.268 |
| Monoisotopic Mass | 214.11061 |
| SMILES | COc1ccc2c(c1)=NC1=C(C)NCCC=21 |
| InChI | InChI=1S/C13H14N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-4,7,14H,5-6H2,1-2H3 |
| InChIKey | QJOZJXNKVMFAET-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Role: | metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole (CHEBI:95328) is a harmala alkaloid (CHEBI:61379) |
| Manual Xrefs | Databases |
|---|---|
| LSM-6691 | LINCS |