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
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Enzyme
1.2.1.67        1.2.3.9         1.14.13.82      2.1.1.341       
2.1.1.-         2.4.1.300
Other DBs
CAS: 121-34-6
PubChem: 8897
ChEBI: 16632 30816
ChEMBL: CHEMBL120568
KNApSAcK: C00002682
PDB-CCD: VNL[PDBj]
3DMET: B01021
NIKKAJI: J5.337F
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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