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CHEBI:28582 - cupreine

ChEBI IDCHEBI:28582
ChEBI Namecupreine
Stars
Secondary ChEBI IDsCHEBI:3959, CHEBI:23413
Last Modified3 August 2014
DownloadsMolfile
FormulaC19H22N2O2
Net Charge0
Average Mass310.397
Monoisotopic Mass310.16813
SMILES[H][C@]1([C@H](O)c2ccnc3ccc(O)cc23)C[C@@H]2CC[N@@]1C[C@@H]2C=C
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+/m0/s1
InChIKeyVJFMSYZSFUWQPZ-MBZVMHRFSA-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)
cupreine (CHEBI:28582) has parent hydride cinchonan (CHEBI:35933)
cupreine (CHEBI:28582) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name 
(9R)-cinchonan-6',9-diol
Synonyms  Source
CupreineKEGG COMPOUND
6'-HydroxycinchonidineChemIDplus
Manual XrefsDatabases
C06530KEGG COMPOUND
C00026411KNApSAcK
Registry NumbersSources
CAS:524-63-0KEGG COMPOUND