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CHEBI:165176 - O-Desmethylquinidine

ChEBI IDCHEBI:165176
ChEBI NameO-Desmethylquinidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H22N2O2
Net Charge0
Average Mass310.397
Monoisotopic Mass310.16813
SMILESC=CC1CN2CCC1CC2[C@H](O)c1ccnc2ccc(O)cc12
InChIInChI=1S/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2/t12?,13?,18?,19-/m1/s1
InChIKeyVJFMSYZSFUWQPZ-BXJNULTDSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
O-Desmethylquinidine (CHEBI:165176) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name 
4-[(R)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol
Manual XrefsDatabases
9762403ChemSpider