CHEBI:32085 - Quinine ethylcarbonate (TN)

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ChEBI Name Quinine ethylcarbonate (TN)
ChEBI ID CHEBI:32085
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C23H28N2O4
C23H28N2O4
Net Charge 0
Average Mass 396.480
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-ZEBIKNNBSA-N
SMILES C1=2C([C@H]([C@]3(N4C[C@@H](C(C3)CC4)C=C)[H])OC(OCC)=O)=CC=NC1=CC=C(C2)OC
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 Quinine ethylcarbonate (TN) (CHEBI:32085) is a cinchona alkaloid (CHEBI:51323)
Synonyms Sources
Ethoxy-[(6-methoxy-4-quinolyl)-(3-vinylquinuclidin-6-yl)-methoxy]-methanone KEGG COMPOUND
Quinine ethylcarbonate (TN) KEGG COMPOUND
Manual Xref Database
D01663 KEGG DRUG
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Registry Number Type Source
83-75-0 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017