CHEBI:165176 - O-Desmethylquinidine

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ChEBI Name O-Desmethylquinidine
ChEBI ID CHEBI:165176
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C19H22N2O2
Net Charge 0
Average Mass 310.397
Monoisotopic Mass 310.16813
InChI InChI=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
InChIKey VJFMSYZSFUWQPZ-BXJNULTDSA-N
SMILES O[C@@H](C1N2CC(C(C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(O)=C4
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing 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 Xref Database
9762403 ChemSpider
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