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CHEBI:136405 - spartioidine
| Formula | C18H23NO5 |
| Net Charge | 0 |
| Average Mass | 333.384 |
| Monoisotopic Mass | 333.15762 |
| SMILES | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C/C)CC(=C)[C@@](C)(O)C(=O)OC3 |
| InChI | InChI=1S/C18H23NO5/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/h4-5,14-15,22H,2,6-10H2,1,3H3/b12-4+/t14-,15-,18-/m1/s1 |
| InChIKey | FCEVNJIUIMLVML-ARDNGTNNSA-N |
| Species of Metabolite | Component | Source | Comments |
|---|---|---|---|
| Jacobaea (ncbitaxon:405757) | |||
| leaf (BTO:0000713) | DOI (10.1007/s11306-017-1184-0) | ||
| leaf (BTO:0000713) | MetaboLights (MTBLS429) | ||
| Jacobaea aquatica (ncbitaxon:189230) | - | PubMed (11978435) | |
| Adenostyles alliariae (ncbitaxon:1346275) | - | PubMed (26411004) | |
| Adenostyles glabra (ncbitaxon:1395540) | - | PubMed (26411004) | |
| Senecio vulgaris (ncbitaxon:76276) | - | PubMed (17265238) | |
| Senecio pterophorus (ncbitaxon:82364) | - | DOI (10.1039/NP9971400653) |
| Roles Classification |
|---|
| Biological Roles: | Jacobaea metabolite Any plant metabolite that is produced by the genus Jacobaea. 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) |
| spartioidine (CHEBI:136405) has role Jacobaea metabolite (CHEBI:139566) |
| spartioidine (CHEBI:136405) is a macrocyclic lactone (CHEBI:63944) |
| spartioidine (CHEBI:136405) is a olefinic compound (CHEBI:78840) |
| spartioidine (CHEBI:136405) is a pyrrolizine alkaloid (CHEBI:38521) |
| spartioidine (CHEBI:136405) is a tertiary alcohol (CHEBI:26878) |
| Incoming Relation(s) |
| spartioidine N-oxide (CHEBI:136427) has functional parent spartioidine (CHEBI:136405) |
| IUPAC Name |
|---|
| (15E)-12-hydroxy-13,19-didehydrosenecionan-11,16-dione |
| Citations |
|---|