EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C19H23N3O2 |
| Net Charge | 0 |
| Average Mass | 325.412 |
| Monoisotopic Mass | 325.17903 |
| SMILES | CC(CO)NC(=O)C1C=C2c3cccc4ncc(c34)CC2N(C)C1 |
| InChI | InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24) |
| InChIKey | WVVSZNPYNCNODU-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) |
| N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CHEBI:91849) is a ergoline alkaloid (CHEBI:60529) |
| Manual Xrefs | Databases |
|---|---|
| LSM-1771 | LINCS |