HMDB0253518
     RDKit          3D
Iodoacetic acid
  8  7  0  0  0  0  0  0  0  0999 V2000
    1.0003   -0.9410    1.1387 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5961   -0.2385    0.1740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5114    0.5459   -0.5066 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8265   -0.3577   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9412    1.2746    0.6068 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.8566    1.3971   -0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -0.3627   -1.3211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2552   -1.3178    0.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  3  6  1  0
  4  7  1  0
  4  8  1  0
M  END