KEGG   COMPOUND: C14842
Entry
C14842                      Compound                               
Name
Bromobenzene-2,3-dihydrodiol;
3-Bromo-3,5-cyclohexadiene-1,2-diol
Formula
C6H7BrO2
Exact mass
189.9629
Mol weight
191.0226
Structure
Reaction
R07072
Pathway
map00980  Metabolism of xenobiotics by cytochrome P450
Enzyme
3.3.2.9
Other DBs
CAS: 82683-92-9
PubChem: 17395840
ChEBI: 34586
NIKKAJI: J2.790.486F
LinkDB
KCF data

ATOM        9
            1   C2x C    23.3703  -19.9417
            2   C2x C    23.3703  -21.3411
            3   C2x C    24.5598  -22.0408
            4   C1y C    25.8193  -21.3411
            5   C1y C    25.8193  -19.9417
            6   C2y C    24.5598  -19.2420
            7   X   Br   24.5598  -17.8426
            8   O1a O    27.0302  -19.2292
            9   O1a O    27.0377  -22.0581
BOND        9
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     5   8 1
            9     4   9 1

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