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CHEBI:136403 - senecivernine N-oxide

ChEBI IDCHEBI:136403
ChEBI Namesenecivernine N-oxide
Stars
ASCII Namesenecivernine N-oxide
DefinitionA pyrrolizine alkaloid that is produced by a hybrid species of Jacobaea.
Last Modified1 February 2018
SubmitterKeeva
DownloadsMolfile
FormulaC18H25NO6
Net Charge0
Average Mass351.399
Monoisotopic Mass351.16819
SMILES[H][C@]12C3=CC[N+]1([O-])CC[C@H]2OC(=O)C(=C)[C@H](C)[C@@H](C)[C@@](C)(O)C(=O)OC3
InChIInChI=1S/C18H25NO6/c1-10-11(2)16(20)25-14-6-8-19(23)7-5-13(15(14)19)9-24-17(21)18(4,22)12(10)3/h5,10,12,14-15,22H,2,6-9H2,1,3-4H3/t10-,12+,14+,15+,18+,19?/m0/s1
InChIKeyGDDNFNQRHNCJAZ-TURVAVEKSA-N
Species of MetaboliteComponentSourceComments
Jacobaea (ncbitaxon:405757)
leaf (BTO:0000713) MetaboLights (MTBLS429)
leaf (BTO:0000713) DOI (10.1007/s11306-017-1184-0)
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)
senecivernine N-oxide (CHEBI:136403) has functional parent Senecivernine (CHEBI:9109)
senecivernine N-oxide (CHEBI:136403) has role Jacobaea metabolite (CHEBI:139566)
senecivernine N-oxide (CHEBI:136403) is a macrocyclic lactone (CHEBI:63944)
senecivernine N-oxide (CHEBI:136403) is a olefinic compound (CHEBI:78840)
senecivernine N-oxide (CHEBI:136403) is a organic heterotricyclic compound (CHEBI:26979)
senecivernine N-oxide (CHEBI:136403) is a pyrrolizine alkaloid (CHEBI:38521)
senecivernine N-oxide (CHEBI:136403) is a tertiary alcohol (CHEBI:26878)
senecivernine N-oxide (CHEBI:136403) is a tertiary amine oxide (CHEBI:134363)
IUPAC Name 
(4R,5R,6R,14aR,14bR)-6-hydroxy-4,5,6-trimethyl-3-methylidene-12-oxo-3,4,5,6,11,12,13,14,14a,14b-decahydro-9H-12λ5-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7-dione
Synonyms  Source
(14α)-12-hydroxy-14-methyl-21-norsenecionan-11,16-dione 4-oxideChEBI
senecivernine oxideChEBI
Citations