CHEBI:132662 - isobrucine N-oxide

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ChEBI Name isobrucine N-oxide
ChEBI ID CHEBI:132662
ChEBI ASCII Name isobrucine N-oxide
Definition A monoterpenoid indole alkaloid with formula C23H26N2O5, originally isolated from the seeds of Strychnos nux-vomica.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
Supplier Information
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Formula C23H26N2O5
Net Charge 0
Average Mass 410.464
Monoisotopic Mass 410.18417
InChI InChI=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
InChIKey ICEFLCNOUJCINW-FBUVUDCZSA-N
SMILES O=C1N2[C@@]3([C@@]4([C@]5([N+](CC4)(C\C(\[C@](C5)(C3=CC1)[H])=C\CO)[O-])[H])C=6C2=CC(=C(C6)OC)OC)[H]
Metabolite of Species Details
Strychnos nux-vomica (NCBI:txid28545) Found in seed (BTO:0001226). See: PubMed
Roles Classification
Biological Role(s): 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.
(via alkaloid )
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ChEBI Ontology
Outgoing isobrucine N-oxide (CHEBI:132662) has role plant metabolite (CHEBI:76924)
isobrucine N-oxide (CHEBI:132662) is a δ-lactam (CHEBI:77727)
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)
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 Xref Database
101532797 PubChem
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Citations Waiting for Citations Types Sources
10375801 PubMed citation Europe PMC
288564 Chinese Abstracts citation Europe PMC
7912074 PubMed citation Europe PMC
Last Modified
01 February 2017