HMDB0304155
     RDKit          3D
3-S-methylmercaptopropionate
 14 13  0  0  0  0  0  0  0  0999 V2000
   -2.4071    0.0100    0.2166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4206    0.4849   -1.2399 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.2820    0.7747   -0.6466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8820   -0.5266   -0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2636   -0.3121    0.3256 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8162    0.8374    0.3098 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0497   -1.3377    0.8294 O   0  0  0  0  0  1  0  0  0  0  0  0
   -1.9879    0.4515    1.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4699    0.2214    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3064   -1.1053    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8460    1.1558   -1.5268 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2833    1.5092    0.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8966   -1.2758   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2727   -0.8875    0.6841 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  2  0
  5  7  1  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
M  CHG  1   7  -1
M  END