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ChEBI
> Main
CHEBI:32085 - Quinine ethylcarbonate (TN)
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ChEBI Ontology
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ChEBI Name
Quinine ethylcarbonate (TN)
ChEBI ID
CHEBI:32085
Stars
This entity has been manually annotated by a third party.
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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
)
View more via ChEBI Ontology
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
View more database links
Registry Number
Type
Source
83-75-0
CAS Registry Number
KEGG COMPOUND
Last Modified
06 March 2017