HMDB0040186
     RDKit          3D
3-(Methylthio)hexanal
 23 22  0  0  0  0  0  0  0  0999 V2000
   -2.3428   -0.6601    0.9084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770    0.0225   -0.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379   -0.2761   -0.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5392    0.1347    0.3587 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5183    1.6055    0.6660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8310    2.4425   -0.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8555    3.6548   -0.4169 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2122   -0.2318   -0.2915 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4582   -1.9984   -0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1765   -0.0457    1.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5609   -0.6818    1.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7587   -1.6718    0.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9451    1.1142   -0.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4946   -0.3107   -1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3950   -1.3993   -0.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2040    0.1203   -1.6864 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4176   -0.4487    1.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4780    1.8829    1.1032 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2546    1.8526    1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0469    2.0314   -1.4898 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4138   -2.1787   -0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5950   -2.4538   -0.9856 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5284   -2.5045    0.5217 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  1  0
  6  7  2  0
  4  8  1  0
  8  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  6 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END