HMDB0033717
     RDKit          3D
(1R,2R)-Isocitric acid
 21 20  0  0  0  0  0  0  0  0999 V2000
    1.0813   -2.1154   -0.8064 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6732   -1.0977   -0.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8837   -0.7677   -0.9571 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0733   -0.3236    0.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0244    0.6524    0.2748 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.5256    1.6673   -0.6745 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0007    1.7077   -1.8078 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5332    2.5710   -0.3902 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2414    0.0453   -0.2022 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1249   -0.7842   -1.2824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9342   -0.6490    0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1710   -0.1072    2.0227 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3479   -1.9585    0.7453 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2662    0.1448   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505    0.2414    1.2636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -0.9797    1.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2387    1.2384    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3908    3.4134    0.1630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9348    0.8810   -0.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6038   -1.6581   -1.1323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957   -2.1215    0.3967 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  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 11 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  1
  8 18  1  0
  9 19  1  6
 10 20  1  0
 13 21  1  0
M  END