HMDB0302343
     RDKit          3D
Butenyl isothiocyanate
 14 13  0  0  0  0  0  0  0  0999 V2000
   -1.9284   -0.2812    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9553    0.8045   -0.3401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525    0.3791   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7673   -0.7963    0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1440   -1.1760    0.5610 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -0.4284    0.0862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1344    0.7326   -0.2943 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7468   -0.5254    1.1475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9552    0.1273   -0.0239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8606   -1.1667   -0.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2051    1.7330    0.2045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1181    1.0117   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2405    1.0673   -0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0261   -1.4816    0.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
M  END