KEGG   COMPOUND: C11336
Entry
C11336                      Compound                               
Name
Mersalyl acid
Formula
C13H17HgNO6
Exact mass
485.0762
Mol weight
483.8672
Structure
Other DBs
CAS: 486-67-9
PubChem: 13511
ChEBI: 6771
NIKKAJI: J182.230F
LinkDB
KCF data

ATOM        21
            1   C8y C    25.5726  -21.9981
            2   C5a C    25.5843  -20.6036
            3   C8y C    26.7864  -22.6925
            4   C8x C    24.3648  -22.7100
            5   N1b N    26.7979  -19.9151
            6   O5a O    24.3764  -19.8917
            7   C8x C    26.8038  -24.0987
            8   O2a O    27.9940  -21.9864
            9   C8x C    24.3648  -24.1161
            10  C1b C    26.8095  -18.5147
            11  C8x C    25.5902  -24.8105
            12  C1c C    28.0290  -17.8145
            13  O2a O    29.2369  -18.5264
            14  C1b C    27.9707  -16.4141
            15  C1b C    29.2068  -22.6778
            16  C6a C    30.4119  -21.9732
            17  O6a O    31.6246  -22.6646
            18  O6a O    30.4043  -20.5772
            19  C1a C    30.4520  -17.8394
            20  Z   Hg   29.2555  -15.7263
            21  O1a O    29.2672  -14.3303
BOND        21
            1     3   8 1
            2     4   9 1
            3     5  10 1
            4     7  11 1
            5    10  12 1
            6    12  13 1
            7    12  14 1
            8     9  11 2
            9     8  15 1
            10    1   2 1
            11   15  16 1
            12    1   3 1
            13   16  17 1
            14    1   4 2
            15   16  18 2
            16    2   5 1
            17   13  19 1
            18    2   6 2
            19   14  20 1
            20    3   7 2
            21   20  21 1

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