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CHEBI:132661 - isostrychnine N-oxide

ChEBI IDCHEBI:132661
ChEBI Nameisostrychnine N-oxide
Stars
ASCII Nameisostrychnine N-oxide
DefinitionA monoterpenoid indole alkaloid with formula C21H22N2O3, originally isolated from the seeds of Strychnos nux-vomica.
Last Modified1 February 2017
Submitterliuqingping
DownloadsMolfile
FormulaC21H22N2O3
Net Charge0
Average Mass350.418
Monoisotopic Mass350.16304
SMILES[H][C@]12C[C@]3([H])C4=CCC(=O)N5c6ccccc6[C@@]1(CC[N+]2([O-])C/C3=C/CO)[C@]45[H]
InChIInChI=1S/C21H22N2O3/c24-10-7-13-12-23(26)9-8-21-16-3-1-2-4-17(16)22-19(25)6-5-14(20(21)22)15(13)11-18(21)23/h1-5,7,15,18,20,24H,6,8-12H2/b13-7-/t15-,18-,20-,21+,23?/m0/s1
InChIKeyJSOOHERMGHRAQI-WMJCWLERSA-N
Species of MetaboliteComponentSourceComments
Strychnos nux-vomica (ncbitaxon:28545) seed (BTO:0001226) PubMed (7912074)
Roles Classification
Biological Roles:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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)
isostrychnine N-oxide (CHEBI:132661) has role plant metabolite (CHEBI:76924)
isostrychnine N-oxide (CHEBI:132661) is a monoterpenoid indole alkaloid (CHEBI:65323)
isostrychnine N-oxide (CHEBI:132661) is a olefinic compound (CHEBI:78840)
isostrychnine N-oxide (CHEBI:132661) is a organic heterohexacyclic compound (CHEBI:51914)
isostrychnine N-oxide (CHEBI:132661) is a primary alcohol (CHEBI:15734)
isostrychnine N-oxide (CHEBI:132661) is a tertiary amine oxide (CHEBI:134363)
isostrychnine N-oxide (CHEBI:132661) is a δ-lactam (CHEBI:77727)
IUPAC Name 
(3aS,11bS,12S,13aS,14E)-14-(2-hydroxyethylidene)-1-oxo-1,2,3,10,11b,12,13,13a-octahydro-9H-1,12-ethano-1λ5-pyrido[1,2,3-lm]pyrrolo[2,3-d]carbazol-9-one
Registry NumbersSources
Reaxys:26576610Reaxys
Citations