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

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ChEBI Name Ethyl (4beta,8alpha,9R)-6'-methoxycinchonan-9-yl carbonate
ChEBI ID CHEBI:177568
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H28N2O4
Net Charge 0
Average Mass 396.487
Monoisotopic Mass 396.20491
InChI InChI=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
InChIKey NSBRKSWSLRQPJW-VYXDICFBSA-N
SMILES O([C@@H]([C@]1(N2C[C@@H]([C@@](C1)(CC2)[H])C=C)[H])C3=C4C(=NC=C3)C=CC(OC)=C4)C(OCC)=O
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in sausage (ENVO:00002166). See: MetaboLights Study
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 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 Xref Database
6499 ChemSpider
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