HMDB0031370
     RDKit          3D
2-[(Methylthio)methyl]-2-butenal
 18 17  0  0  0  0  0  0  0  0999 V2000
   -2.2062   -1.0961   -0.1289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9792   -0.4605   -0.6122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365    0.6161   -0.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810    1.1955    1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1264    0.7080    1.5795 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8131    1.1662   -0.6295 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1824    1.1654    0.5507 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415   -0.5562    0.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1123   -0.4596   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4272   -1.9839   -0.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9911   -1.5061    0.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4893   -0.9094   -1.4981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6665    2.0650    1.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0430    0.5877   -1.5387 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6910    2.2198   -0.9633 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3066   -1.0015    0.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6774   -1.1337    0.9833 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1606   -0.6167    1.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  3  6  1  0
  6  7  1  0
  7  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  6 14  1  0
  6 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END