KEGG   COMPOUND: C17104
Entry
C17104                      Compound                               
Name
Costatone
Formula
C10H12Br2Cl2O2
Exact mass
391.8581
Mol weight
394.9151
Structure
Other DBs
CAS: 63023-59-6
PubChem: 96023577
ChEBI: 80930
KNApSAcK: C00010402
NIKKAJI: J18.048C
LinkDB
KCF data

ATOM        16
            1   C1z C    31.0893  -28.1358
            2   C2y C    31.0893  -29.5106
            3   C2y C    32.2798  -30.1979
            4   C1x C    33.4705  -29.5106
            5   C1y C    33.4705  -28.1358
            6   O2x O    32.2798  -27.4484
            7   C2c C    34.6794  -27.4376
            8   C2b C    35.8629  -28.1207
            9   X   Cl   35.8629  -29.4956
            10  C1a C    34.6791  -26.0737
            11  X   Cl   32.2798  -31.5725
            12  C1a C    29.8986  -30.1979
            13  O1a O    31.0893  -26.5548
            14  C1c C    29.7145  -28.1358
            15  X   Br   28.8725  -26.9429
            16  X   Br   28.8027  -29.3033
BOND        16
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     5   7 1 #Down
            8     7   8 2
            9     8   9 1
            10    7  10 1
            11    3  11 1
            12    2  12 1
            13    1  13 1 #Up
            14    1  14 1
            15   14  15 1
            16   14  16 1

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