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CHEBI:231757 - brucine(1+)

ChEBI IDCHEBI:231757
ChEBI Namebrucine(1+)
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC23H27N2O4
Net Charge+1
Average Mass395.479
Monoisotopic Mass395.19653
SMILESCOc1cc2c(cc1OC)[C@@]13CC[NH+]4CC5=CCO[C@H]6CC(=O)N2[C@H]1[C@H]6[C@H]5C[C@H]43
InChIInChI=1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/p+1/t13-,18-,19-,21-,22-,23+/m0/s1
InChIKeyRRKTZKIUPZVBMF-IBTVXLQLSA-O
ChEBI Ontology
Outgoing Relation(s)
brucine(1+) (CHEBI:231757) is a indole alkaloid cation (CHEBI:60521)
Synonym  Source
10,11-dimethoxy-strychnineSUBMITTER
UniProt Name  Source
brucineUniProt