HMDB0304068
     RDKit          3D
2-dehydropantoate
 20 19  0  0  0  0  0  0  0  0999 V2000
   -0.6665    1.2184   -0.8041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2291    0.2481    0.2719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4080    1.0061    1.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936   -0.9180    0.2563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2339   -1.5934   -0.9554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1643   -0.1781    0.1428 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9355    0.0406    1.1310 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.8300   -1.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0730   -1.0760   -2.0349 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0830   -1.2018   -1.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5454    1.7644   -0.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0432    0.6344   -1.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0989    1.9542   -1.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2130    0.3294    2.4392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4268    1.4166    1.5660 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    1.8233    1.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8355   -1.6737    1.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2146   -0.5497    0.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0975   -1.4608   -1.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6825   -0.9539   -0.2143 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
 10 20  1  0
M  END