HMDB0041306
     RDKit          3D
Methyl 2-(methylthio)butyrate
 21 20  0  0  0  0  0  0  0  0999 V2000
   -1.3488   -2.5554   -0.3671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0647   -1.7739   -0.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4093   -0.2989   -0.5429 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5184    0.2535    0.7824 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8989    2.0102    0.4902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8391    0.5033   -0.5104 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    1.2075   -1.4685 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6312    0.4921    0.6318 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8365    1.2317    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1272   -3.6560   -0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9079   -2.2603   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -2.2954    0.5679 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6822   -2.0950   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4012   -1.8502    0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8932   -0.1605   -1.5473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    2.6039    1.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9201    2.0980    0.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1915    2.4452   -0.2505 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3821    0.7989    1.6107 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5975    2.2951    0.8565 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4277    1.0062   -0.1814 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
  3  6  1  0
  6  7  2  0
  6  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
  5 16  1  0
  5 17  1  0
  5 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END