HMDB0250522
     RDKit          3D
Butene, (S)-1-cyano-2-hydroxy-3-
 14 13  0  0  0  0  0  0  0  0999 V2000
    1.4921   -1.0211    0.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747    0.1444    0.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1395    0.8370    0.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2397    1.8619   -0.7411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0688   -0.1036   -0.6411 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5196   -1.1888    0.2297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8726   -2.0455    0.9411 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9976   -1.6301   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3891   -1.4518    0.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6363    0.6708    1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6896    1.2432    0.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    2.7639   -0.4309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9344    0.4884   -1.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5932   -0.5686   -1.5258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  3  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
M  END