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CHEBI:76921 - pavine(1+)

ChEBI IDCHEBI:76921
ChEBI Namepavine(1+)
Stars
DefinitionAn organic cation obtained by protonation of the amino function of pavine; major species at pH 7.3.
Last Modified21 January 2014
SubmitterKAX
DownloadsMolfile
FormulaC20H24NO4
Net Charge+1
Average Mass342.415
Monoisotopic Mass342.16998
SMILESCOc1cc2c(cc1OC)C1Cc3cc(OC)c(OC)cc3C(C2)[NH2+]1
InChIInChI=1S/C20H23NO4/c1-22-17-7-11-5-15-14-10-20(25-4)18(23-2)8-12(14)6-16(21-15)13(11)9-19(17)24-3/h7-10,15-16,21H,5-6H2,1-4H3/p+1
InChIKeySRSPZLZVGPJHJH-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
pavine(1+) (CHEBI:76921) is a ammonium ion derivative (CHEBI:35274)
pavine(1+) (CHEBI:76921) is a organic cation (CHEBI:25697)
pavine(1+) (CHEBI:76921) is conjugate acid of pavine (CHEBI:77048)
Incoming Relation(s)
pavine (CHEBI:77048) is conjugate base of pavine(1+) (CHEBI:76921)
IUPAC Name 
2,3,8,9-tetramethoxy-5,6,11,12-tetrahydro-5,11-epiminodibenzo[a,e][8]annulenium
UniProt Name  Source
(±)-pavineUniProt
Citations