HMDB0012134
     RDKit          3D
1,2-Dihydroxy-3-keto-5-methylthiopentene
 20 19  0  0  0  0  0  0  0  0999 V2000
    3.3243   -0.1668    0.4443 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8099    0.8904   -0.9079 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0341    1.1779   -0.9499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2737   -0.1186   -1.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1817    0.1756   -1.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6054    0.7736   -2.3060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0885   -0.1795   -0.2262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4416    0.1398   -0.3375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7396   -0.8065    0.8845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6966   -1.1171    1.8706 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4469   -0.1112    0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011   -1.2484    0.2780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9588    0.1714    1.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8418    1.8855   -1.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6434    1.6671   -0.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5905   -0.3780   -2.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5837   -0.8643   -0.5343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931   -0.4897   -0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7003   -1.0781    1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615   -0.3232    2.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  7  9  2  0
  9 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END