CHEBI:136463 - erucifoline N-oxide

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ChEBI Name erucifoline N-oxide
ChEBI ID CHEBI:136463
ChEBI ASCII Name erucifoline N-oxide
Definition A pyrrolizine alkaloid that is erucifoline in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C18H23NO7
Net Charge 0
Average Mass 365.378
Monoisotopic Mass 365.14745
InChI InChI=1S/C18H23NO7/c1-3-11-8-18(10-20)17(2,26-18)16(22)24-9-12-4-6-19(23)7-5-13(14(12)19)25-15(11)21/h3-4,13-14,20H,5-10H2,1-2H3/b11-3-/t13-,14-,17+,18+,19?/m1/s1
InChIKey IJAULDQGSBFPPG-HHXOVEJCSA-N
SMILES C/1(\C[C@]2(O[C@]2(C(=O)OCC3=CC[N+]4(CC[C@@H](OC1=O)[C@@]34[H])[O-])C)CO)=C/C
Metabolite of Species Details
Jacobaea (NCBI:txid405757) Found in leaf (BTO:0000713). See: MetaboLights Study
Jacobaea (NCBI:txid405757) Found in leaf (BTO:0000713). See: DOI
Roles Classification
Biological Role(s): 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.
(via alkaloid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing erucifoline N-oxide (CHEBI:136463) has functional parent erucifoline (CHEBI:136462)
erucifoline N-oxide (CHEBI:136463) has role Jacobaea metabolite (CHEBI:139566)
erucifoline N-oxide (CHEBI:136463) is a epoxide (CHEBI:32955)
erucifoline N-oxide (CHEBI:136463) is a macrocyclic lactone (CHEBI:63944)
erucifoline N-oxide (CHEBI:136463) is a olefinic compound (CHEBI:78840)
erucifoline N-oxide (CHEBI:136463) is a organic heteropentacyclic compound (CHEBI:38164)
erucifoline N-oxide (CHEBI:136463) is a primary alcohol (CHEBI:15734)
erucifoline N-oxide (CHEBI:136463) is a pyrrolizine alkaloid (CHEBI:38521)
erucifoline N-oxide (CHEBI:136463) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name
(5aR,8Z,9aS,10aR,13bR)-8-ethylidene-9a-(hydroxymethyl)-10a-methyl-3-oxo-2,4,5,5a,8,9,9a,10a,13,13b-decahydro-3H-3λ5-oxireno[8,9][1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-7,11-dione
Registry Number Type Source
19963002 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
18220326 PubMed citation Europe PMC
Last Modified
09 February 2018