HMDB0247961
     RDKit          3D
Aconitic acid
 18 17  0  0  0  0  0  0  0  0999 V2000
   -3.0541    0.7513    0.4823 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5008   -0.3310    0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3250   -1.4778    0.2906 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0785   -0.4797    0.1795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1183    0.3907    0.1752 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999   -0.0192    0.0039 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6725   -1.3891   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0387   -2.4495   -0.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0971   -1.5864   -0.3150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2949    1.8350    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3799    2.3685    0.4843 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8657    2.6429    0.3029 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8467   -1.7473   -0.5058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7891   -1.5586    0.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9196    0.3950    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7117    0.5547   -0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6221   -0.9709   -0.9051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600    3.0715    1.1775 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  3
  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