KEGG   COMPOUND: C18338Help
Entry
C18338                      Compound                               

Name
5-Carboxyvanillic acid;
5-Carboxyvanillate;
4-Hydroxy-5-methoxy-1,3-benzenedicarboxylate;
4-Hydroxy-5-methoxyisophthalate
Formula
C9H8O6
Exact mass
212.0321
Mol weight
212.1562
Structure
Mol fileKCF fileDB search
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Other DBs
CAS: 2134-91-0
PubChem: 124489012
ChEBI: 81684
KCF data Show

ATOM        15
            1   C8x C    16.4500  -16.8700
            2   C8y C    16.4500  -18.2700
            3   C8y C    17.6624  -18.9700
            4   C8y C    18.8749  -18.2700
            5   C8x C    18.8749  -16.8700
            6   C8y C    17.6624  -16.1700
            7   C6a C    17.6624  -14.7702
            8   O1a O    17.6624  -20.3698
            9   C6a C    15.2376  -18.9700
            10  O2a O    20.1060  -18.9810
            11  O6a O    14.0421  -18.2796
            12  O6a O    16.4332  -14.0603
            13  O6a O    18.8580  -14.0798
            14  O6a O    15.2375  -20.3698
            15  C1a C    21.3112  -18.2853
BOND        15
            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     3   8 1
            9     2   9 1
            10    4  10 1
            11    9  11 2
            12    7  12 2
            13    7  13 1
            14    9  14 1
            15   10  15 1

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