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CHEBI:9107 - senecionine
| Formula | C18H25NO5 |
| Net Charge | 0 |
| Average Mass | 335.400 |
| Monoisotopic Mass | 335.17327 |
| SMILES | [H]/C(C)=C1\C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN3CC[C@@]([H])(OC1=O)[C@@]23[H] |
| InChI | InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-/m1/s1 |
| InChIKey | HKODIGSRFALUTA-JTLQZVBZSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Senecio (ncbitaxon:18794) | - | PubMed (21710732) |
| Roles Classification |
|---|
| Biological Roles: | plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. 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) |
| senecionine (CHEBI:9107) has functional parent senecionan (CHEBI:36330) |
| senecionine (CHEBI:9107) has role plant metabolite (CHEBI:76924) |
| senecionine (CHEBI:9107) is a lactone (CHEBI:25000) |
| senecionine (CHEBI:9107) is a pyrrolizidine alkaloid (CHEBI:64948) |
| senecionine (CHEBI:9107) is a tertiary alcohol (CHEBI:26878) |
| senecionine (CHEBI:9107) is conjugate base of senecionine(1+) (CHEBI:77617) |
| Incoming Relation(s) |
| dehydrojacoline (CHEBI:136495) has functional parent senecionine (CHEBI:9107) |
| jacoline (CHEBI:136452) has functional parent senecionine (CHEBI:9107) |
| senecionine N-oxide (CHEBI:52070) has functional parent senecionine (CHEBI:9107) |
| senecionine(1+) (CHEBI:77617) is conjugate acid of senecionine (CHEBI:9107) |
| IUPAC Name |
|---|
| 12-hydroxysenecionan-11,16-dione |
| Synonyms | Source |
|---|---|
| Senecionine | KEGG COMPOUND |
| Senecionin | ChemIDplus |
| aureine | ChemIDplus |
| Citations |
|---|