HMDB0000393
     RDKit          3D
3-Hexenedioic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.5749   -0.1718    1.9544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706   -0.1907    0.7149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8355   -0.9354    0.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8757    0.5654   -0.1557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5587   -0.0934   -0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6088    0.4447   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -0.2195   -0.2673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6550   -0.4217    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3234   -1.3412    1.7817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7275    0.3798    1.3512 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2943   -0.7349   -0.6447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518    0.6295   -1.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7295    1.6247    0.1751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5489   -1.0768   -0.8246 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6113    1.4196    0.4015 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5095    0.4706   -0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8338   -1.1646   -0.8323 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3533    0.8160    0.7028 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
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  3 11  1  0
  4 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
 10 18  1  0
M  END