EMBL-EBI | Chemical Biology | ChEBI
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| Formula | C26H36N2O3 |
| Net Charge | 0 |
| Average Mass | 424.585 |
| Monoisotopic Mass | 424.27259 |
| SMILES | [H][C@@]12Cc3cn(C(C)C)c4cccc(c34)[C@@]1([H])C[C@@H](C(=O)O[C@H]1CC[C@H](OC)CC1)CN2C |
| InChI | InChI=1S/C26H36N2O3/c1-16(2)28-15-17-13-24-22(21-6-5-7-23(28)25(17)21)12-18(14-27(24)3)26(29)31-20-10-8-19(30-4)9-11-20/h5-7,15-16,18-20,22,24H,8-14H2,1-4H3/t18-,19-,20-,22-,24-/m1/s1 |
| InChIKey | RJBJIKXTJIZONR-HSWWXKJFSA-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) |
| sergolexole (CHEBI:756554) is a ergoline alkaloid (CHEBI:60529) |
| INNs | Source |
|---|---|
| sergolexol | WHO MedNet |
| sergolexole | WHO MedNet |