HMDB0039843
     RDKit          3D
S-Methyl 3-methylthiobutyrate
 20 19  0  0  0  0  0  0  0  0999 V2000
    3.9589   -0.4438    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4810   -0.5169    1.0488 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.0716   -0.0048    0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2161    0.3184   -1.0745 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2698    0.0323    0.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    0.4813   -0.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5249   -0.3519   -1.4620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6463    0.5564    0.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6778   -1.2093    0.3448 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4126    0.5788    0.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6843   -0.6985   -1.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2919    0.7232    1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5852   -0.9596    1.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1281    1.5287   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2916    0.2065   -2.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5693   -0.6852   -1.5350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8950   -1.2652   -1.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7794    1.5624    1.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6756   -0.1764    1.3650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5020    0.3236   -0.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  5 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
M  END