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CHEBI:132662 - isobrucine N-oxide

ChEBI IDCHEBI:132662
ChEBI Nameisobrucine N-oxide
Stars
ASCII Nameisobrucine N-oxide
DefinitionA monoterpenoid indole alkaloid with formula C23H26N2O5, originally isolated from the seeds of Strychnos nux-vomica.
Last Modified1 February 2017
Submitterliuqingping
DownloadsMolfile
FormulaC23H26N2O5
Net Charge0
Average Mass410.470
Monoisotopic Mass410.18417
SMILES[H][C@]12C[C@]3([H])C4=CCC(=O)N5c6cc(OC)c(OC)cc6[C@@]1(CC[N+]2([O-])C/C3=C/CO)[C@]45[H]
InChIInChI=1S/C23H26N2O5/c1-29-18-10-16-17(11-19(18)30-2)24-21(27)4-3-14-15-9-20-23(16,22(14)24)6-7-25(20,28)12-13(15)5-8-26/h3,5,10-11,15,20,22,26H,4,6-9,12H2,1-2H3/b13-5-/t15-,20-,22-,23+,25?/m0/s1
InChIKeyICEFLCNOUJCINW-FBUVUDCZSA-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)
isobrucine N-oxide (CHEBI:132662) has role plant metabolite (CHEBI:76924)
isobrucine N-oxide (CHEBI:132662) is a aromatic ether (CHEBI:35618)
isobrucine N-oxide (CHEBI:132662) is a monoterpenoid indole alkaloid (CHEBI:65323)
isobrucine N-oxide (CHEBI:132662) is a olefinic compound (CHEBI:78840)
isobrucine N-oxide (CHEBI:132662) is a organic heterohexacyclic compound (CHEBI:51914)
isobrucine N-oxide (CHEBI:132662) is a primary alcohol (CHEBI:15734)
isobrucine N-oxide (CHEBI:132662) is a tertiary amine oxide (CHEBI:134363)
isobrucine N-oxide (CHEBI:132662) is a δ-lactam (CHEBI:77727)
IUPAC Name 
(3aS,11bS,12S,13aS,14E)-14-(2-hydroxyethylidene)-5,6-dimethoxy-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
Manual XrefsDatabases
101532797PubChem Compound
Citations