9  9  0  0  0  0  0  0  0  0999 V2000
   23.3703  -19.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3703  -21.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5598  -22.0408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8193  -21.3411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8193  -19.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5598  -19.2420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5598  -17.8426    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   27.0302  -19.2292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.0377  -22.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  1  6  2  0     0  0
  6  7  1  0     0  0
  5  8  1  0     0  0
  4  9  1  0     0  0
M  END
> <ID>
CHEBI:34586

> <NAME>
Bromobenzene-2,3-dihydrodiol

> <STAR>
2

> <SYNONYM>
Bromobenzene-2,3-dihydrodiol; 3-Bromo-3,5-cyclohexadiene-1,2-diol

> <FORMULA>
C6H7BrO2

> <MASS>
191.022

> <MONOISOTOPIC_MASS>
189.96294

> <CHARGE>
0

> <SMILES>
OC1C=CC=C(Br)C1O

> <INCHI>
InChI=1S/C6H7BrO2/c7-4-2-1-3-5(8)6(4)9/h1-3,5-6,8-9H

> <INCHIKEY>
KLPGXZKAVBGFGF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
82683-92-9

> <KEGG_COMPOUND_ACCESSION>
C14842

$$$$