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Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks
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3,6-dimethylsalicylic acid
Properties
Image
Occurences in reactions
MNX_ID
MNXM101784
#reac
in my sandbox
0
in MNXref (generic)
0
in models (compartimentalized)
0
formula
C
9
H
10
O
3
charge
0
mass
166.06299
reference
chebi:70733
InChIKey
SDQFDFFLPQFIHQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3,(H,11,12)
SMILES
Cc1ccc(C)c(C(=O)O)c1O
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
Identifier
Description
CHEBI:70733
chebi:70733
3,6-dimethylsalicylic acid
2-hydroxy-3,6-dimethylbenzoic acid