HMDB0000072
     RDKit          3D
cis-Aconitic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.7888   -1.5143   -1.7892 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1240   -0.5858   -1.1948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6224    0.6546   -1.3609 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9605   -0.9479   -0.4416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1584   -0.1745    0.2255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013   -0.8291    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2877   -0.3142    0.4506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3324   -0.7860    0.9680 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4224    0.6514   -0.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    1.2307    0.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1773    1.9348   -0.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6361    1.9623    1.0839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5941    0.8826   -1.5185 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7158   -2.0569   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9438   -0.5671    2.0316 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9579   -1.9222    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4068    0.4152   -1.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4691    1.9662    2.0758 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  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  5 10  1  0
 10 11  2  0
 10 12  1  0
  3 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  9 17  1  0
 12 18  1  0
M  END