HMDB0301801
     RDKit          3D
Parasorbic acid
 16 16  0  0  0  0  0  0  0  0999 V2000
   -2.1238    0.3656   -0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536    0.3105    0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159   -1.0656   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163   -1.0703    0.2403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0274    0.0367    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4582    1.3304   -0.2057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1286    2.3926   -0.2500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0905    1.2816   -0.5432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5745   -0.5835    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2368    0.5084   -1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6124    1.1791    0.4011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5502    0.4712    1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7120   -1.7767    0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2596   -1.3336   -1.2041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7495   -2.0233    0.5435 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0685   -0.0229    0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
M  END