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CHEBI:132707 - 5-oxobrucine

Default Structure
ChEBI IDCHEBI:132707
ChEBI Name5-oxobrucine
Stars
DefinitionA monoterpenoid indole alkaloid with formula C23H24N2O5, originallly isolated from the seeds of Strychnos nux-vomica.
Last Modified11 January 2017
Submitterliuqingping
DownloadsMolfile
FormulaC23H24N2O5
Net Charge0
Average Mass408.454
Monoisotopic Mass408.16852
SMILES[H][C@@]12N3C(=O)C[C@]4([H])OCC=C5CN6C(=O)C[C@@]1(c1cc(OC)c(OC)cc13)[C@]6([H])C[C@]5([H])[C@]24[H]
InChIInChI=1S/C23H24N2O5/c1-28-15-6-13-14(7-16(15)29-2)25-19(26)8-17-21-12-5-18-23(13,22(21)25)9-20(27)24(18)10-11(12)3-4-30-17/h3,6-7,12,17-18,21-22H,4-5,8-10H2,1-2H3/t12-,17-,18-,21-,22-,23+/m0/s1
InChIKeyKPEKABODQFNIAE-DNEHAUKLSA-N
Species of MetaboliteComponentSourceComments
Strychnos nux-vomica (ncbitaxon:28545) seed (BTO:0001226) DOI (10.1016/j.tet.2012.03.006)
Roles Classification
Biological Role:
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)
5-oxobrucine (CHEBI:132707) has functional parent brucine (CHEBI:3193)
5-oxobrucine (CHEBI:132707) is a aromatic ether (CHEBI:35618)
5-oxobrucine (CHEBI:132707) is a monoterpenoid indole alkaloid (CHEBI:65323)
5-oxobrucine (CHEBI:132707) is a organic heteroheptacyclic compound (CHEBI:52157)
5-oxobrucine (CHEBI:132707) is a γ-lactam (CHEBI:74222)
5-oxobrucine (CHEBI:132707) is a δ-lactam (CHEBI:77727)
IUPAC Name 
2,3-dimethoxystrychnidine-10,18-dione
Registry NumbersSources
Reaxys:22594459Reaxys