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CHEBI:177568 - Ethyl (4beta,8alpha,9R)-6'-methoxycinchonan-9-yl carbonate

ChEBI IDCHEBI:177568
ChEBI NameEthyl (4beta,8alpha,9R)-6'-methoxycinchonan-9-yl carbonate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H28N2O4
Net Charge0
Average Mass396.487
Monoisotopic Mass396.20491
SMILES[H][C@]12CCN(C[C@@H]1C=C)[C@]([H])([C@H](OC(=O)OCC)c1ccnc3ccc(OC)cc13)C2
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-VYXDICFBSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
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)
Ethyl (4beta,8alpha,9R)-6'-methoxycinchonan-9-yl carbonate (CHEBI:177568) is a cinchona alkaloid (CHEBI:51323)
IUPAC Name 
[(R)-[(2S,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methyl] ethyl carbonate
Manual XrefsDatabases
6499ChemSpider