KEGG   COMPOUND: C16198Help
Entry
C16198                      Compound                               

Name
(Z)-4-(2-Hydroxy-5-sulfonatophenyl)-2-oxo-3-butenoate
Formula
C10H8O7S
Exact mass
271.9991
Mol weight
272.2313
Structure
Mol fileKCF fileDB searchJmolKegDraw
Reaction
Pathway
Naphthalene degradation
Enzyme
1.13.11.-
Other DBs
PubChem: 
NIKKAJI: 
KCF data Show

ATOM        18
            1   C8x C    31.6144  -26.2987
            2   C8y C    31.6144  -27.6975
            3   C8x C    32.8034  -28.3970
            4   C8y C    33.9924  -27.6975
            5   C8y C    33.9924  -26.2987
            6   C8x C    32.8034  -25.6692
            7   C2b C    35.1815  -28.3970
            8   C2b C    36.4404  -27.6975
            9   C5a C    36.4404  -26.2987
            10  O1a O    35.1815  -25.6692
            11  S4a S    30.4253  -28.3970
            12  O1d O    29.5860  -27.2079
            13  O1d O    31.3346  -29.5860
            14  O1d O    29.0964  -29.0265
            15  C6a C    37.6529  -25.5987
            16  O6a O    38.8799  -26.3069
            17  O6a O    37.6529  -24.2200
            18  O5a O    37.4304  -27.2886
BOND        18
            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     4   7 1
            8     7   8 2
            9     8   9 1
            10    5  10 1
            11    2  11 1
            12   11  12 2
            13   11  13 2
            14   11  14 1
            15    9  15 1
            16   15  16 2
            17   15  17 1
            18    9  18 2

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