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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:135994 - hydroquinine
Main
ChEBI Ontology
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ChEBI Name
hydroquinine
ChEBI ID
CHEBI:135994
Stars
This entity has been manually annotated by a third party.
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Formula
C20H26N2O2
Net Charge
0
Average Mass
326.433
Monoisotopic Mass
326.19943
InChI
InChI=1S/C20H26N2O2/c1-
3-
13-
12-
22-
9-
7-
14(13)
10-
19(22)
20(23)
16-
6-
8-
21-
18-
5-
4-
15(24-
2)
11-
17(16)
18/h4-
6,8,11,13-
14,19-
20,23H,3,7,9-
10,12H2,1-
2H3/t13-
,14-
,19-
,20+/m0/s1
InChIKey
LJOQGZACKSYWCH-WZBLMQSHSA-N
SMILES
[C@@H](O)(C=1C=2C(=CC=C(C2)OC)N=CC1)[C@]3(N4C[C@@H]([C@H](C3)CC4)CC)[H]
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
hydroquinine (
CHEBI:135994
)
is a
cinchona alkaloid (
CHEBI:51323
)
Synonym
Source
dihydroquinine
DrugCentral
Manual Xref
Database
4570
DrugCentral
View more database links
Registry Number
Type
Source
522-66-7
CAS Registry Number
DrugCentral
Last Modified
23 February 2017