KEGG   COMPOUND: C14846
Entry
C14846                      Compound                               
Name
4-Bromo-3,5-cyclohexadiene-1,2-dione;
4-Bromo-1,2-benzoquinone
Formula
C6H3BrO2
Exact mass
185.9316
Mol weight
186.9908
Structure
Reaction
R07077
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Other DBs
PubChem: 17395844
ChEBI: 34387
NIKKAJI: J1.591.166B
LinkDB
KCF data

ATOM        9
            1   C2x C    19.7400  -17.2200
            2   C2x C    19.7400  -18.6200
            3   C5x C    20.9524  -19.3200
            4   C5x C    22.1649  -18.6200
            5   C2x C    22.1649  -17.2200
            6   C2y C    20.9524  -16.5200
            7   X   Br   20.9524  -15.1202
            8   O5x O    20.9524  -20.7198
            9   O5x O    23.3960  -19.3310
BOND        9
            1     1   2 2
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     6   7 1
            8     3   8 2
            9     4   9 2

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