14 14  0  0  0  0  0  0  0  0999 V2000
   28.2618  -17.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.2618  -16.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0488  -18.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4677  -18.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0488  -15.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4677  -15.5700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.8359  -17.6686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4677  -19.7740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.8359  -16.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6808  -16.2691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.4677  -14.1706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.6782  -17.6700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8960  -15.5743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8936  -18.3716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  2  5  2  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  4 12  1  0     0  0
  4  8  2  0     0  0
  5  9  1  0     0  0
  6 10  1  0     0  0
  6 11  2  0     0  0
  7  9  2  0     0  0
  1  2  1  0     0  0
 10 13  1  0     0  0
  1  3  2  0     0  0
 12 14  1  0     0  0
M  END
> <ID>
CHEBI:4609

> <NAME>
Dimethyl phthalate

> <STAR>
2

> <SYNONYM>
dimethyl phthalate; Dimethyl phthalate

> <FORMULA>
C10H10O4

> <MASS>
194.184

> <MONOISOTOPIC_MASS>
194.05791

> <CHARGE>
0

> <SMILES>
COC(=O)c1ccccc1C(=O)OC

> <INCHI>
InChI=1S/C10H10O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h3-6H,1-2H3

> <INCHIKEY>
NIQCNGHVCWTJSM-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
131-11-3

> <KEGG_COMPOUND_ACCESSION>
C11233

$$$$