HMDB0000958
     RDKit          3D
trans-Aconitic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -1.3343   -3.1983   -0.6911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1898   -1.9337   -0.5117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3682   -1.2433   -0.4835 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1574   -1.4481   -0.3704 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -0.2070   -0.1858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4399    0.8774   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3475    1.5626    1.2397 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4711    1.1945    2.1139 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1935    2.6279    1.5055 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9611    0.1289   -0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3251    1.2971    0.1172 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9300   -0.8666   -0.1323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1066   -1.4283   -1.1308 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0082   -2.1657   -0.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0402    1.6815   -0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4530    0.7158   -0.4294 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683    3.0582    0.7934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8668   -0.6528   -0.4433 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