CHEBI:132707 - 5-oxobrucine

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ChEBI Name 5-oxobrucine
Definition A monoterpenoid indole alkaloid with formula C23H24N2O5, originallly isolated from the seeds of Strychnos nux-vomica.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter qingping liu
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Formula C23H24N2O5
Net Charge 0
Average Mass 408.448
Monoisotopic Mass 408.16852
InChI InChI=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
SMILES C1[C@@]2(N3C(C[C@@]42[C@]5(N(C=6C4=CC(=C(C6)OC)OC)C(C[C@]7([C@@]5([C@@]1(C(=CCO7)C3)[H])[H])[H])=O)[H])=O)[H]
Metabolite of Species Details
Strychnos nux-vomica (NCBI:txid28545) Found in seed (BTO:0001226). See: DOI
Roles Classification
Biological Role(s): 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 5-oxobrucine (CHEBI:132707) has functional parent brucine (CHEBI:3193)
5-oxobrucine (CHEBI:132707) is a γ-lactam (CHEBI:74222)
5-oxobrucine (CHEBI:132707) is a δ-lactam (CHEBI:77727)
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)
Registry Number Type Source
22594459 Reaxys Registry Number Reaxys
Last Modified
11 January 2017