HMDB0033968
     RDKit          3D
Methyl benzoate
 18 18  0  0  0  0  0  0  0  0999 V2000
    3.4515    0.2898    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0449    0.4268    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160   -0.4237   -0.1997 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -1.3490   -0.8537 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2239   -0.2073   -0.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0402   -1.0526   -0.8871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4025   -0.8554   -0.8634 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9518    0.1789   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1523    1.0358    0.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7685    0.8235    0.5648 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9050    1.2127    0.9404 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868   -0.5868    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7678    0.2005   -0.5248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6141   -1.8588   -1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1052   -1.4822   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0312    0.3390   -0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5543    1.8538    1.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802    1.4550    1.1088 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10  5  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  6 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
M  END