EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C20H25N3O2 |
| Net Charge | 0 |
| Average Mass | 339.439 |
| Monoisotopic Mass | 339.19468 |
| SMILES | [H][C@@]12Cc3cn(C)c4cccc(c34)C1=C[C@@H](C(=O)N[C@@H](C)CO)CN2C |
| InChI | InChI=1S/C20H25N3O2/c1-12(11-24)21-20(25)14-7-16-15-5-4-6-17-19(15)13(9-22(17)2)8-18(16)23(3)10-14/h4-7,9,12,14,18,24H,8,10-11H2,1-3H3,(H,21,25)/t12-,14+,18+/m0/s1 |
| InChIKey | XUKAVPATXGYVKJ-WPKBUWHJSA-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) |
| propisergide (CHEBI:756316) is a ergoline alkaloid (CHEBI:60529) |
| INNs | Source |
|---|---|
| propisergida | WHO MedNet |
| propisergide | WHO MedNet |