KEGG   COMPOUND: C18347
Entry
C18347                      Compound                               

Name
5,5'-Dehydrodivanillate
Formula
C16H14O8
Exact mass
334.0689
Mol weight
334.2776
Structure
Reaction
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Other DBs
CAS: 2134-90-9
PubChem: 124489021
ChEBI: 81693
LinkDB
KCF data

ATOM        24
            1   C8y C    26.0267  -19.3119
            2   C8y C    27.2861  -18.6122
            3   C8y C    24.8372  -18.6122
            4   C8x C    26.0267  -20.7112
            5   C8y C    28.4755  -19.3119
            6   C8x C    27.2861  -17.2128
            7   C8y C    23.5778  -19.3119
            8   O1a O    24.8372  -17.2128
            9   C8y C    24.8372  -21.4808
            10  C8y C    29.6650  -18.6122
            11  O1a O    28.4755  -20.6412
            12  C8y C    28.4755  -16.5132
            13  C8x C    23.5778  -20.7112
            14  C8x C    29.6650  -17.2128
            15  O2a O    22.3838  -18.6093
            16  C1a C    21.1735  -19.2950
            17  C6a C    24.8553  -22.8900
            18  O6a O    26.0726  -23.5721
            19  O6a O    23.6480  -23.6078
            20  O2a O    30.8949  -19.3157
            21  C1a C    32.0839  -18.6226
            22  C6a C    28.4756  -15.1201
            23  O6a O    29.6989  -14.4138
            24  O6a O    27.2740  -14.4262
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 2
            4     2   5 2
            5     2   6 1
            6     3   7 2
            7     3   8 1
            8     4   9 1
            9     5  10 1
            10    5  11 1
            11    6  12 2
            12    7  13 1
            13   10  14 2
            14    9  13 2
            15   12  14 1
            16    7  15 1
            17   15  16 1
            18    9  17 1
            19   17  18 2
            20   17  19 1
            21   10  20 1
            22   20  21 1
            23   12  22 1
            24   22  23 1
            25   22  24 2

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