HMDB0035176
     RDKit          3D
3-Mercapto-2-methylpentanal
 20 19  0  0  0  0  0  0  0  0999 V2000
    2.6093   -0.3729   -0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490   -0.5027   -0.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2798    0.4098   -0.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6617    2.1475   -0.3270 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1589    0.1915   -0.5772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4703   -1.2633   -0.3463 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0924    1.0519    0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4384    0.5793    1.3141 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1269   -1.2483   -1.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7829   -0.3994    0.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126    0.5733   -1.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925   -0.3508   -2.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442   -1.5461   -0.6859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2930    0.1508    0.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479    2.8926    0.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2208    0.5006   -1.6256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8433   -1.7127    0.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3042   -1.7924   -1.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5314   -1.3194   -0.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4443    2.0108   -0.1073 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
  3  5  1  0
  5  6  1  0
  5  7  1  0
  7  8  2  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  2 13  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  6 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
M  END