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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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3'-hydroxy-4'-methoxydiclofenac
Properties
Image
Occurences in reactions
MNX_ID
MNXM35930
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
15
H
13
Cl
2
NO
4
charge
0
mass
341.02216
reference
chebi:223404
InChIKey
YALZBLAHGKGDMB-UHFFFAOYSA-N
InChI
InChI=1S/C15H13Cl2NO4/c1-22-11-7-9(16)14(13(17)15(11)21)18-10-5-3-2-4-8(10)6-12(19)20/h2-5,7,18,21H,6H2,1H3,(H,19,20)
SMILES
COc1cc(Cl)c(Nc2ccccc2CC(=O)O)c(Cl)c1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:223404
chebi:223404
3'-hydroxy-4'-methoxydiclofenac
{2-[(2,6-dichloro-3-hydroxy-4-methoxyphenyl)amino]phenyl}acetic acid