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CHEBI:174145 - Hydrocinchonine

ChEBI IDCHEBI:174145
ChEBI NameHydrocinchonine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H24N2O
Net Charge0
Average Mass296.414
Monoisotopic Mass296.18886
SMILES[H][C@@]12CCN(C[C@@H]1CC)[C@@]([H])([C@@H](O)c1ccnc3ccccc13)C2
InChIInChI=1S/C19H24N2O/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17/h3-7,9,13-14,18-19,22H,2,8,10-12H2,1H3/t13-,14-,18+,19-/m0/s1
InChIKeyWFJNHVWTKZUUTR-QAMTZSDWSA-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)
Hydrocinchonine (CHEBI:174145) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name 
(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol
Manual XrefsDatabases
9805504ChemSpider
Registry NumbersSources
CAS:485-65-4ChemIDplus