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CHEBI:231753 - isostrychnine(1+)

ChEBI IDCHEBI:231753
ChEBI Nameisostrychnine(1+)
Stars
DefinitionMajor microspecies at pH 7.3.
SubmitterAnne Morgat
DownloadsMolfile
FormulaC21H23N2O2
Net Charge+1
Average Mass335.427
Monoisotopic Mass335.17540
SMILESO=C1CC=C2[C@H]3C[C@@H]4[NH+](CC[C@@]45c4ccccc4N1[C@@H]25)C/C3=C/CO
InChIInChI=1S/C21H22N2O2/c24-10-7-13-12-22-9-8-21-16-3-1-2-4-17(16)23-19(25)6-5-14(20(21)23)15(13)11-18(21)22/h1-5,7,15,18,20,24H,6,8-12H2/p+1/b13-7-/t15-,18-,20-,21+/m0/s1
InChIKeyPNYOGGAOQVIZDM-JQNVFVSUSA-O
ChEBI Ontology
Outgoing Relation(s)
isostrychnine(1+) (CHEBI:231753) is a indole alkaloid cation (CHEBI:60521)
isostrychnine(1+) (CHEBI:231753) is conjugate acid of isostrychnine (CHEBI:132659)
Incoming Relation(s)
isostrychnine (CHEBI:132659) is conjugate base of isostrychnine(1+) (CHEBI:231753)
UniProt Name  Source
isostrychnineUniProt
Citations