HMDB0031594
     RDKit          3D
2-Methylhexanoic acid
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.0455   -0.7013    0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6533   -0.2174    0.7238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0593    0.4218   -0.5136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3262    0.9425   -0.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2972   -0.1099    0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5002   -1.2093   -0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6002    0.5127    0.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6324    0.1904   -0.0973 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6974    1.4606    1.5255 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9759   -1.7655   -0.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498   -0.0805   -0.4873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7300   -0.6315    1.2194 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8028    0.5868    1.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0532   -1.0532    1.1122 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6933    1.3098   -0.7442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1230   -0.2288   -1.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    1.4721   -1.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2569    1.6986    0.5579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9325   -0.5870    1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6633   -1.9207   -0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7587   -0.7422   -1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3971   -1.7935   -0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7992    2.4455    1.3324 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
  5  7  1  0
  7  8  2  0
  7  9  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  4 18  1  0
  5 19  1  0
  6 20  1  0
  6 21  1  0
  6 22  1  0
  9 23  1  0
M  END