16 17  0  0  0  0  0  0  0  0999 V2000
   22.8075  -20.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.8075  -21.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0188  -22.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2302  -21.7637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2302  -20.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0188  -19.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4601  -19.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6642  -20.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8754  -19.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8754  -18.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6713  -17.5564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4600  -18.2559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1058  -20.3603    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   30.1008  -17.5436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.2536  -17.5596    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   26.4224  -22.4525    0.0000 Cl  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
  9 13  1  0     0  0
 10 14  1  0     0  0
 12 15  1  0     0  0
  4 16  1  0     0  0
M  END
> <ID>
CHEBI:79725

> <NAME>
2,2',5-Trichloro-4-hydroxybiphenyl

> <STAR>
2

> <FORMULA>
C12H7Cl3O

> <MASS>
273.54200

> <MONOISOTOPIC_MASS>
271.95625

> <CHARGE>
0

> <SMILES>
Oc1cc(Cl)c(cc1Cl)-c1ccccc1Cl

> <INCHI>
InChI=1S/C12H7Cl3O/c13-9-4-2-1-3-7(9)8-5-11(15)12(16)6-10(8)14/h1-6,16H

> <INCHIKEY>
BGKASHGJDDQEFI-UHFFFAOYSA-N

> <KEGG_COMPOUND_ACCESSION>
C15212

$$$$