KEGG   COMPOUND: C06672Help
Entry
C06672                      Compound                               

Name
Vanillate;
Vanillic acid;
4-Hydroxy-3-methoxybenzoate;
4-Hydroxy-3-methoxybenzoic acid
Formula
C8H8O4
Exact mass
168.0423
Mol weight
168.1467
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Aminobenzoate degradation
Microbial metabolism in diverse environments
Enzyme
1.2.1.67        1.2.3.9         1.14.13.82      2.1.1.-         
2.4.1.300
Other DBs
CAS: 
121-34-6
PubChem: 
ChEBI: 
KNApSAcK: 
PDB-CCD: 
3DMET: 
NIKKAJI: 
KCF data Show

ATOM        12
            1   C8x C    32.1765  -26.9975
            2   C8x C    32.1765  -25.5947
            3   C8y C    33.3689  -24.8933
            4   C8y C    34.6314  -25.5947
            5   C8x C    34.6314  -26.9975
            6   C8y C    33.3689  -27.6989
            7   O1a O    33.3689  -23.4905
            8   C6a C    33.3689  -29.1017
            9   O6a O    32.1765  -29.8031
            10  O6a O    34.5612  -29.8031
            11  O2a O    35.8238  -24.8933
            12  C1a C    37.0161  -25.5947
BOND        12
            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     3   7 1
            8     6   8 1
            9     8   9 2
            10    8  10 1
            11    4  11 1
            12   11  12 1

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