HMDB0001553
     RDKit          3D
2-Oxo-4-methylthiobutanoic acid
 17 16  0  0  0  0  0  0  0  0999 V2000
    3.6581   -0.1397    0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2216   -0.3887   -0.7817 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7466    0.0188    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5177   -0.1559   -0.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7098    0.1814    0.1928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5942    0.5549    1.3893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0544    0.0947   -0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1890   -0.2761   -1.5501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1907    0.3976    0.3568 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5725    0.0852   -0.3067 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8484   -1.0539    0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4166    0.6783    1.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195    1.1049    0.4269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6926   -0.6022    1.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5664   -1.2024   -0.9812 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4884    0.5024   -1.5016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6655    1.2734    0.2150 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
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  3 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  9 17  1  0
M  END