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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:76101 - (
S
)-laudanine
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ChEBI Name
(
S
)-laudanine
ChEBI ID
CHEBI:76101
ChEBI ASCII Name
(S)-laudanine
Definition
The (
S
)-enantiomer of laudanine
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C20H25NO4
Net Charge
0
Average Mass
343.41680
Monoisotopic Mass
343.17836
InChI
InChI=1S/C20H25NO4/c1-
21-
8-
7-
14-
11-
19(24-
3)
20(25-
4)
12-
15(14)
16(21)
9-
13-
5-
6-
18(23-
2)
17(22)
10-
13/h5-
6,10-
12,16,22H,7-
9H2,1-
4H3/t16-
/m0/s1
InChIKey
MPYHGNAJOKCMAQ-INIZCTEOSA-N
SMILES
COc1ccc(C[C@@H]2N(C)CCc3cc(OC)c(OC)cc23)cc1O
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
(
S
)-laudanine (
CHEBI:76101
)
has functional parent
(
S
)-norlaudanosoline (
CHEBI:28651
)
(
S
)-laudanine (
CHEBI:76101
)
is a
laudanine (
CHEBI:76103
)
(
S
)-laudanine (
CHEBI:76101
)
is conjugate base of
(
S
)-laudanine(1+) (
CHEBI:75999
)
(
S
)-laudanine (
CHEBI:76101
)
is enantiomer of
(
R
)-laudanine (
CHEBI:76105
)
Incoming
rac
-laudanosoline (
CHEBI:76106
)
has part
(
S
)-laudanine (
CHEBI:76101
)
(
S
)-laudanine(1+) (
CHEBI:75999
)
is conjugate acid of
(
S
)-laudanine (
CHEBI:76101
)
(
R
)-laudanine (
CHEBI:76105
)
is enantiomer of
(
S
)-laudanine (
CHEBI:76101
)
IUPAC Name
5-{[(1
S
)-6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl}-2-methoxyphenol
Synonym
Source
(+)-laudanine
ChEBI
Manual Xref
Database
CPD-8924
MetaCyc
View more database links
Registry Number
Type
Source
96361
Reaxys Registry Number
Reaxys
Citation
Type
Source
15353584
PubMed citation
Europe PMC
Last Modified
28 October 2013