EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H22N2O |
| Net Charge | 0 |
| Average Mass | 294.398 |
| Monoisotopic Mass | 294.17321 |
| SMILES | CCC12CCCN3CCc4c(n(c5ccccc45)C(=O)C1)C32 |
| InChI | InChI=1S/C19H22N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,18H,2,5,8-12H2,1H3 |
| InChIKey | WYJAPUKIYAZSEM-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) |
| Eburnamenin-14(15H)-one (CHEBI:182654) is a alkaloid (CHEBI:22315) |
| IUPAC Name |
|---|
| 15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-one |
| Manual Xrefs | Databases |
|---|---|
| 83159 | ChemSpider |