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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:68990 - canadaline
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ChEBI Ontology
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ChEBI Name
canadaline
ChEBI ID
CHEBI:68990
Definition
A natural product found in
Corydalis cava
and
Hydrastis canadensis
.
Stars
This entity has been manually annotated by a third party.
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Formula
C21H23NO5
Net Charge
0
Average Mass
369.41100
Monoisotopic Mass
369.15762
InChI
InChI=1S/C21H23NO5/c1-
22-
7-
6-
14-
9-
19-
20(27-
12-
26-
19)
10-
15(14)
17(22)
8-
13-
4-
5-
18(24-
2)
21(25-
3)
16(13)
11-
23/h4-
5,9-
11,17H,6-
8,12H2,1-
3H3/t17-
/m1/s1
InChIKey
ROAHDZJDHGLGBA-QGZVFWFLSA-N
SMILES
COc1ccc(C[C@H]2N(C)CCc3cc4OCOc4cc23)c(C=O)c1OC
Metabolite of Species
Details
Corydalis cava
(IPNI:672129-1)
See:
PubMed
Hydrastis canadensis
(NCBI:txid13569)
See:
PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
canadaline (
CHEBI:68990
)
has role
metabolite (
CHEBI:25212
)
canadaline (
CHEBI:68990
)
is a
isoquinolines (
CHEBI:24922
)
Synonyms
Sources
(-)-canadaline(R)
ChEBI
2,3-
dimethoxy-
6-
[[(5R)-
6-
methyl-
7,8-
dihydro-
5H-
[1,3]dioxolo[4,5-
g]isoquinolin-
5-
yl]methyl]benzaldehyde
ChEBI
Citation
Type
Source
22029392
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:isoquinolines(CHEBI:24922); ISA:benzodioxoles(CHEBI:38298); ISA:methoxybenzene(CHEBI:51683); ISA:benzaldehydes(CHEBI:22698); ISA:carbonyl compound(CHEBI:36586); ISA:aralkylamine(CHEBI:18000); ISA:aromatic ether(CHEBI:35618); ISA:arenecarbaldehyde(CHEBI:33855); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:tertiary amine(CHEBI:32876); ISA:organonitrogen compound(CHEBI:35352); ISA:acetal(CHEBI:59769);