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CHEBI:6080 - jacobine
| Formula | C18H25NO6 |
| Net Charge | 0 |
| Average Mass | 351.399 |
| Monoisotopic Mass | 351.16819 |
| SMILES | [H][C@]12C3=CCN1CC[C@H]2OC(=O)[C@@]1(C[C@@H](C)[C@@](C)(O)C(=O)OC3)O[C@H]1C |
| InChI | InChI=1S/C18H25NO6/c1-10-8-18(11(2)25-18)16(21)24-13-5-7-19-6-4-12(14(13)19)9-23-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+/m1/s1 |
| InChIKey | IAPHXJRHXBQDQJ-WKMWQDDRSA-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) |
| jacobine (CHEBI:6080) is a pyrrolizine alkaloid (CHEBI:38521) |
| Incoming Relation(s) |
| 18-hydroxyjacobine (CHEBI:140653) has functional parent jacobine (CHEBI:6080) |
| jacobine N-oxide (CHEBI:136451) has functional parent jacobine (CHEBI:6080) |
| Synonym | Source |
|---|---|
| Jacobine | KEGG COMPOUND |