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CHEBI:32085 - Quinine ethylcarbonate (TN)

ChEBI IDCHEBI:32085
ChEBI NameQuinine ethylcarbonate (TN)
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC23H28N2O4
Net Charge0
Average Mass396.487
Monoisotopic Mass396.20491
SMILES[H][C@@]1([C@H](OC(=O)OCC)c2ccnc3ccc(OC)cc23)CC2CCN1C[C@@H]2C=C
InChIInChI=1S/C23H28N2O4/c1-4-15-14-25-11-9-16(15)12-21(25)22(29-23(26)28-5-2)18-8-10-24-20-7-6-17(27-3)13-19(18)20/h4,6-8,10,13,15-16,21-22H,1,5,9,11-12,14H2,2-3H3/t15-,16?,21-,22+/m0/s1
InChIKeyNSBRKSWSLRQPJW-ZEBIKNNBSA-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)
Quinine ethylcarbonate (TN) (CHEBI:32085) is a cinchona alkaloid (CHEBI:51323)
Synonyms  Source
Ethoxy-[(6-methoxy-4-quinolyl)-(3-vinylquinuclidin-6-yl)-methoxy]-methanoneKEGG COMPOUND
Quinine ethylcarbonate (TN)KEGG COMPOUND
Manual XrefsDatabases
D01663KEGG DRUG
Registry NumbersSources
CAS:83-75-0KEGG COMPOUND