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CHEBI:133993 - 4'-O-methylnorbelladine(1+)

ChEBI IDCHEBI:133993
ChEBI Name4'-O-methylnorbelladine(1+)
Stars
ASCII Name4'-O-methylnorbelladine(1+)
DefinitionAn organic cation obtained by protonation of the secondary amino group of 4'-O-methylnorbelladine; major species at pH 7.3.
Last Modified15 March 2017
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC16H20NO3
Net Charge+1
Average Mass274.340
Monoisotopic Mass274.14377
SMILESCOc1ccc(C[NH2+]CCc2ccc(O)cc2)cc1O
InChIInChI=1S/C16H19NO3/c1-20-16-7-4-13(10-15(16)19)11-17-9-8-12-2-5-14(18)6-3-12/h2-7,10,17-19H,8-9,11H2,1H3/p+1
InChIKeySDLILULALIDNSO-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
4'-O-methylnorbelladine(1+) (CHEBI:133993) is a ammonium ion derivative (CHEBI:35274)
4'-O-methylnorbelladine(1+) (CHEBI:133993) is a organic cation (CHEBI:25697)
4'-O-methylnorbelladine(1+) (CHEBI:133993) is conjugate acid of 4'-O-methylnorbelladine (CHEBI:80667)
Incoming Relation(s)
4'-O-methylnorbelladine (CHEBI:80667) is conjugate base of 4'-O-methylnorbelladine(1+) (CHEBI:133993)
IUPAC Name 
N-[(3-hydroxy-4-methoxyphenyl)methyl]-2-(4-hydroxyphenyl)ethan-1-aminium
UniProt Name  Source
4'-O-methylnorbelladineUniProt
Citations