HMDB0250284
     RDKit          3D
cis-Aconitic anhydride
 15 15  0  0  0  0  0  0  0  0999 V2000
   -2.2536   -0.8486    1.0154 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9446   -0.0516    0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5202    1.1857    0.0283 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9336   -0.4436   -0.8695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3946   -0.2732   -0.2173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3404    0.5144   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823    0.4143    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5527    1.0506    0.1108 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1362   -0.4957    1.2313 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8472   -0.9490    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862   -1.7766    1.6451 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203    1.8068    0.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703   -1.4984   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9956    0.2156   -1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2986    1.1493   -1.5129 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  2  0
  7  9  1  0
  9 10  1  0
 10 11  2  0
 10  5  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  6 15  1  0
M  END