HMDB0031549
     RDKit          3D
5-Methyl-2-hexanone
 22 21  0  0  0  0  0  0  0  0999 V2000
    3.3228   -0.2241    0.5125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1555   -0.0818   -0.3849 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421    0.0087   -1.5781 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7645   -0.0451    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2419    0.1071   -1.0072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6409    0.1429   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9648   -1.1216    0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9494    1.3113    0.3825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2294    0.2628    0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5027   -1.3222    0.6656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1170    0.1803    1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    0.7836    0.8429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5455   -0.9749    0.6692 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446   -0.8166   -1.6335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0007    0.9482   -1.6779 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3212    0.2045   -1.3806 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4176   -1.1059    1.2080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0637   -1.1253    0.5047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6960   -1.9898   -0.3955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7086    1.1436    1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4546    2.2316   -0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0505    1.4826    0.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  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
  4 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
  8 20  1  0
  8 21  1  0
  8 22  1  0
M  END