KEGG   COMPOUND: C21167
Entry
C21167                      Compound                               
Name
4-Hydroxy-3-methylbenzoate;
4-Hydroxy-m-toluate
Formula
C8H8O3
Exact mass
152.0473
Mol weight
152.15
Structure
Reaction
R11195 R11196
Pathway
map00623  Toluene degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.1.96
Other DBs
CAS: 499-76-3
PubChem: 313369427
PDB-CCD: A1LXW[PDBj]
KCF data

ATOM        11
            1   C8x C    16.8011  -17.2211
            2   C8x C    16.8011  -15.8211
            3   C8y C    17.9912  -15.1210
            4   C8x C    19.1813  -15.8211
            5   C8y C    19.1813  -17.2211
            6   C8y C    17.9912  -17.9212
            7   O1a O    17.9912  -19.3213
            8   C1a C    20.4413  -17.9912
            9   C6a C    17.9912  -13.7209
            10  O6a O    19.2037  -13.0209
            11  O6a O    16.7775  -13.0202
BOND        11
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     5   8 1
            9     3   9 1
            10    9  10 2
            11    9  11 1

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  All links  
Chemical substance (2)   
   PubChem (1)   
   PDB-CCD (1)   
All databases (2)   

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