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CHEBI:58239 - 16-hydroxytabersoninium

ChEBI IDCHEBI:58239
ChEBI Name16-hydroxytabersoninium
Stars
DefinitionThe indole alkaloid cation that is the conjugate acid of 16-hydroxytabersonine, arising from protonation of the tertiary amino function; major species at pH 7.3.
Last Modified2 July 2014
DownloadsMolfile
FormulaC21H25N2O3
Net Charge+1
Average Mass353.442
Monoisotopic Mass353.18597
SMILES[H][C@]12[NH+]3CC=C[C@@]1(CC)CC(C(=O)OC)=C1Nc4cc(O)ccc4[C@@]12CC3
InChIInChI=1S/C21H24N2O3/c1-3-20-7-4-9-23-10-8-21(19(20)23)15-6-5-13(24)11-16(15)22-17(21)14(12-20)18(25)26-2/h4-7,11,19,22,24H,3,8-10,12H2,1-2H3/p+1/t19-,20-,21-/m0/s1
InChIKeyFXUFRJQCBVSCRZ-ACRUOGEOSA-O
ChEBI Ontology
Outgoing Relation(s)
16-hydroxytabersoninium (CHEBI:58239) is a indole alkaloid cation (CHEBI:60521)
16-hydroxytabersoninium (CHEBI:58239) is conjugate acid of 16-hydroxytabersonine (CHEBI:17699)
Incoming Relation(s)
16-hydroxytabersonine (CHEBI:17699) is conjugate base of 16-hydroxytabersoninium (CHEBI:58239)
IUPAC Name 
(5α,9β,12β,19α)-16-hydroxy-3-(methoxycarbonyl)-2,3,6,7-tetradehydroaspidospermidin-9-ium
Synonyms  Source
16-hydroxytabersoninium cationChEBI
16-hydroxytabersoninium(1+)ChEBI
UniProt Name  Source
16-hydroxytabersonineUniProt