KEGG   COMPOUND: C18349
Entry
C18349                      Compound                               
Name
4-[2-(5-Carboxy-2-hydroxy-3-methoxyphenyl)-2-oxoethylidene]-2-hydroxy-2-pentenedioate
Formula
C15H12O10
Exact mass
352.043
Mol weight
352.2498
Structure
Reaction
R09276 R09277
Pathway
map00627  Aminobenzoate degradation
map01120  Microbial metabolism in diverse environments
Other DBs
PubChem: 124489023
ChEBI: 81695
LinkDB
KCF data

ATOM        25
            1   C8y C    26.5899  -19.3144
            2   C5a C    27.8495  -18.6145
            3   C8y C    25.4003  -18.6145
            4   C8x C    26.5899  -20.7138
            5   O5a O    29.0391  -19.3144
            6   C2b C    27.8495  -17.2150
            7   C8y C    24.1408  -19.3144
            8   O1a O    25.4003  -17.2150
            9   C8y C    25.4003  -21.4835
            10  C2c C    30.2287  -18.6145
            11  C2c C    29.0391  -16.5152
            12  C8x C    24.1408  -20.7138
            13  C2b C    30.2287  -17.2150
            14  O2a O    22.9466  -18.6116
            15  C1a C    21.7361  -19.2974
            16  C6a C    25.4184  -22.8928
            17  O6a O    26.6358  -23.5751
            18  O6a O    24.2109  -23.6108
            19  O1a O    31.4588  -19.3182
            20  C6a C    29.0392  -15.1220
            21  O6a O    30.2626  -14.4156
            22  O6a O    27.8374  -14.4280
            23  C6a C    29.8663  -19.9668
            24  O6a O    28.5403  -20.3219
            25  O6a O    30.8594  -20.9601
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     6  11 2
            10    7  12 1
            11   10  13 2
            12    9  12 2
            13   11  13 1
            14    7  14 1
            15   14  15 1
            16    9  16 1
            17   16  17 2
            18   16  18 1
            19   10  19 1
            20   11  20 1
            21   20  21 1
            22   20  22 2
            23   10  23 1
            24   23  24 1
            25   23  25 2

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