HMDB0033548
     RDKit          3D
4-Hydroxy-5-methyl-3(2H)-thiophenone
 14 14  0  0  0  0  0  0  0  0999 V2000
    2.0943   -0.4937   -0.0134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6464   -0.3616    0.1420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0654    0.7271    0.0794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5173    1.9902   -0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4693    0.5683    0.2703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2963    1.5008    0.5752 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9883   -0.8086    0.0936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4405   -1.7429    0.4523 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3613   -1.2418   -0.8146 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6181    0.4510   -0.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5117   -0.9390    0.9250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5252    2.3718   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7878   -1.0790    0.7799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2267   -0.9426   -0.9796 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
  3  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  2  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  7 13  1  0
  7 14  1  0
M  END