22 23  0  0  0  0  0  0  0  0999 V2000
   24.2200  -22.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2200  -24.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4324  -24.9200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6449  -24.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6449  -22.8200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4324  -22.1200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8760  -22.1090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0812  -22.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2935  -22.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.2935  -20.7046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0883  -20.0089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8759  -20.7090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4324  -26.3198    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   25.4324  -20.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0076  -22.1200    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   26.6564  -20.0049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5251  -22.8154    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   29.0885  -18.6204    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
   26.6564  -18.6049    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   26.6564  -17.2049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.0564  -18.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2564  -18.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  5  7  1  0     0  0
  7  8  2  0     0  0
  8  9  1  0     0  0
  9 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
  7 12  1  0     0  0
  3 13  1  0     0  0
  6 14  1  0     0  0
  1 15  1  0     0  0
 12 16  1  0     0  0
  9 17  1  0     0  0
 11 18  1  0     0  0
 16 19  1  0     0  0
 19 20  1  0     0  0
 19 21  2  0     0  0
 19 22  1  0     0  0
M  END
> <ID>
CHEBI:81726

> <NAME>
Bromofenofos

> <STAR>
2

> <FORMULA>
C12H7Br4O5P

> <MASS>
581.77100

> <MONOISOTOPIC_MASS>
577.67646

> <CHARGE>
0

> <SMILES>
Oc1c(Br)cc(Br)cc1-c1cc(Br)cc(Br)c1OP(O)(O)=O

> <INCHI>
InChI=1S/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)

> <INCHIKEY>
MMYHZEDBTMXYAF-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
21466-07-9

> <KEGG_COMPOUND_ACCESSION>
C18392

$$$$