EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C14H8N2O2 |
| Net Charge | 0 |
| Average Mass | 236.230 |
| Monoisotopic Mass | 236.05858 |
| SMILES | O=c1cccc2c1c1ccnc3ccc(=O)n2c31 |
| InChI | InChI=1S/C14H8N2O2/c17-11-3-1-2-10-13(11)8-6-7-15-9-4-5-12(18)16(10)14(8)9/h1-7,15H |
| InChIKey | IZNXKZBIIFOWPU-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) |
| Amalorin (CHEBI:165177) is a alkaloid (CHEBI:22315) |
| Amalorin (CHEBI:165177) is a organic heterotetracyclic compound (CHEBI:38163) |
| IUPAC Name |
|---|
| 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),7,9,12,14-hexaene-2,11-dione |