COMPOUND: C14844
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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
Mol file
KCF file
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Reaction
R07071
R07078
Pathway
map00980
Metabolism of xenobiotics by cytochrome P450
Enzyme
3.3.2.9
Other DBs
CAS:
82683-93-0
PubChem:
17395842
ChEBI:
34588
NIKKAJI:
J2.790.487D
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KCF data
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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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