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CHEBI:58481 - (RS)-coclaurinium

ChEBI IDCHEBI:58481
ChEBI Name(RS)-coclaurinium
Stars
ASCII Name(RS)-coclaurinium
DefinitionConjugate acid of (RS)-coclaurine.
Last Modified13 November 2017
DownloadsMolfile
FormulaC17H20NO3
Net Charge+1
Average Mass286.351
Monoisotopic Mass286.14377
SMILESCOc1cc2c(cc1O)C(Cc1ccc(O)cc1)[NH2+]CC2
InChIInChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/p+1
InChIKeyLVVKXRQZSRUVPY-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
(RS)-coclaurinium (CHEBI:58481) is a ammonium ion derivative (CHEBI:35274)
(RS)-coclaurinium (CHEBI:58481) is conjugate acid of (RS)-coclaurine (CHEBI:18417)
Incoming Relation(s)
(RS)-coclaurine (CHEBI:18417) is conjugate base of (RS)-coclaurinium (CHEBI:58481)
IUPAC Name 
7-hydroxy-1-(4-hydroxybenzyl)-6-methoxy-1,2,3,4-tetrahydroisoquinolinium
UniProt Name  Source
coclaurineUniProt