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CHEBI:136462 - erucifoline
| Formula | C18H23NO6 |
| Net Charge | 0 |
| Average Mass | 349.383 |
| Monoisotopic Mass | 349.15254 |
| SMILES | [H][C@]12C3=CCN1CC[C@H]2OC(=O)/C(=C\C)C[C@@]1(CO)O[C@@]1(C)C(=O)OC3 |
| InChI | InChI=1S/C18H23NO6/c1-3-11-8-18(10-20)17(2,25-18)16(22)23-9-12-4-6-19-7-5-13(14(12)19)24-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18+/m1/s1 |
| InChIKey | NOQVBHHOUTTZGE-LUZNJDLOSA-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 vulgaris (ncbitaxon:98722) | - | PubMed (15081286) | |
| Jacobaea aquatica (ncbitaxon:189230) | - | PubMed (11978435) |
| Roles Classification |
|---|
| Chemical Role: | Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid). |
| 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. |
| Application: | insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| erucifoline (CHEBI:136462) has functional parent senecionan (CHEBI:36330) |
| erucifoline (CHEBI:136462) has role Jacobaea metabolite (CHEBI:139566) |
| erucifoline (CHEBI:136462) has role insecticide (CHEBI:24852) |
| erucifoline (CHEBI:136462) is a epoxide (CHEBI:32955) |
| erucifoline (CHEBI:136462) is a macrocyclic lactone (CHEBI:63944) |
| erucifoline (CHEBI:136462) is a olefinic compound (CHEBI:78840) |
| erucifoline (CHEBI:136462) is a organic heteropentacyclic compound (CHEBI:38164) |
| erucifoline (CHEBI:136462) is a primary alcohol (CHEBI:15734) |
| erucifoline (CHEBI:136462) is a pyrrolizine alkaloid (CHEBI:38521) |
| erucifoline (CHEBI:136462) is a tertiary amino compound (CHEBI:50996) |
| Incoming Relation(s) |
| acetylerucifoline (CHEBI:136464) has functional parent erucifoline (CHEBI:136462) |
| acetylerucifoline N-oxide (CHEBI:136465) has functional parent erucifoline (CHEBI:136462) |
| erucifoline N-oxide (CHEBI:136463) has functional parent erucifoline (CHEBI:136462) |
| IUPAC Name |
|---|
| (5aR,8Z,9aS,10aR,13bR)-8-ethylidene-9a-(hydroxymethyl)-10a-methyl-2,4,5,5a,8,9,9a,10a,13,13b-decahydrooxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-7,11-dione |
| Manual Xrefs | Databases |
|---|---|
| 57579891 | ChemSpider |
| Registry Numbers | Sources |
|---|---|
| Reaxys:5456751 | Reaxys |
| CAS:40158-95-0 | ChemIDplus |
| Citations |
|---|