KEGG   COMPOUND: C14844
Entry
C14844                      Compound                               

Name
Bromobenzene-3,4-dihydrodiol;
4-Bromo-3,5-cyclohexadiene-1,2-diol
Formula
C6H7BrO2
Exact mass
189.9629
Mol weight
191.0226
Structure
Reaction
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
Other DBs
CAS: 82683-93-0
PubChem: 17395842
ChEBI: 34588
NIKKAJI: J2.790.487D
KCF data

ATOM        9
            1   C2x C    23.4108  -19.2888
            2   C2x C    23.4108  -20.6864
            3   C1y C    24.6213  -21.3853
            4   C1y C    25.8318  -20.6864
            5   C2x C    25.8318  -19.2888
            6   C2y C    24.6213  -18.5898
            7   X   Br   24.6213  -17.1923
            8   O1a O    24.6213  -22.7829
            9   O1a O    27.0601  -21.3959
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 1
            9     4   9 1

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