KEGG   COMPOUND: C22494
Entry
C22494                      Compound                               
Name
Phenylsuccinate;
Phenylsuccinic acid
Formula
C10H10O4
Exact mass
194.0579
Mol weight
194.184
Structure
Reaction
R12981 R12982
Enzyme
2.8.3.28
Other DBs
CAS: 635-51-8
LinkDB
KCF data

ATOM        14
            1   C8x C    15.5286  -16.9988
            2   C8x C    15.5286  -18.3743
            3   C8x C    16.6977  -19.0621
            4   C8x C    17.9357  -18.3743
            5   C8y C    17.9357  -16.9988
            6   C8x C    16.6977  -16.3111
            7   C1c C    19.1048  -16.3111
            8   C1b C    19.1048  -14.9355
            9   C6a C    20.2740  -16.9988
            10  C6a C    20.2740  -14.2479
            11  O6a O    20.2740  -12.8723
            12  O6a O    21.6496  -16.3798
            13  O6a O    20.2740  -18.3743
            14  O6a O    21.7183  -14.9355
BOND        14
            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     5   7 1
            8     7   8 1
            9     7   9 1
            10    8  10 1
            11   10  11 2
            12    9  12 1
            13    9  13 2
            14   10  14 1

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