EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H21NO2 |
| Net Charge | 0 |
| Average Mass | 295.382 |
| Monoisotopic Mass | 295.15723 |
| SMILES | CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3 |
| InChI | InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3/t15-/m0/s1 |
| InChIKey | BTGAJCKRXPNBFI-HNNXBMFYSA-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) |
| (6aS)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol (CHEBI:125614) is a aporphine alkaloid (CHEBI:134209) |
| Manual Xrefs | Databases |
|---|---|
| LSM-37167 | LINCS |