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CHEBI:136463 - erucifoline N-oxide

ChEBI IDCHEBI:136463
ChEBI Nameerucifoline N-oxide
Stars
ASCII Nameerucifoline N-oxide
DefinitionA pyrrolizine alkaloid that is erucifoline in which the tertiary amino function has been oxidised to the corresponding N-oxide.
Last Modified9 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC18H23NO7
Net Charge0
Average Mass365.382
Monoisotopic Mass365.14745
SMILES[H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)/C(=C\C)C[C@@]1(CO)O[C@@]1(C)C(=O)OC3
InChIInChI=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
InChIKeyIJAULDQGSBFPPG-HHXOVEJCSA-N
Species of MetaboliteComponentSourceComments
Jacobaea (ncbitaxon:405757)
leaf (BTO:0000713) DOI (10.1007/s11306-017-1184-0)
leaf (BTO:0000713) MetaboLights (MTBLS429)
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)
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 NumbersSources
Reaxys:19963002Reaxys
Citations