HMDB0304082
     RDKit          3D
2-oxo-5-methylthiopentanoate
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.3224    0.1780   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5773   -0.4940    0.8704 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.9927    0.3067    1.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0161   -0.0537    0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3447    0.5753    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2339    0.1808   -0.7018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1934    0.7599   -1.8322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1803   -0.8954   -0.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169   -1.4645    0.6217 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0410   -1.3142   -1.4781 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.7512    1.0711   -1.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -0.6001   -1.4217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3976    0.4216   -0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1023    1.3907    1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6009   -0.1201    2.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0864   -1.1582    0.1828 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3613    0.2900   -0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794    1.6823    0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7607    0.2077    1.3682 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
  6  8  1  0
  8  9  2  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
M  CHG  1  10  -1
M  END