CHEBI:182417 - Quinaglute

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ChEBI Name Quinaglute
ChEBI ID CHEBI:182417
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C20H24N2O2
Net Charge 0
Average Mass 324.424
Monoisotopic Mass 324.18378
InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14?,19+,20-/m0/s1
InChIKey LOUPRKONTZGTKE-NBGVHYBESA-N
SMILES O[C@H]([C@@]1(N2C[C@@H](C(C1)CC2)C=C)[H])C3=C4C(=NC=C3)C=CC(OC)=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 Quinaglute (CHEBI:182417) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name
(S)-[(2R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
Manual Xrefs Databases
389880 ChemSpider
C06527 KEGG COMPOUND
D08458 KEGG DRUG
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