HMDB0001624
     RDKit          3D
2-Hydroxycaproic acid
 21 20  0  0  0  0  0  0  0  0999 V2000
   -2.4443    0.6558    1.1477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2550   -0.5450    0.2396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9033   -0.4118   -0.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2268   -0.3744    0.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4975   -0.2373   -0.2632 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3607    0.9375   -0.9724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7083   -0.2993    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9282   -1.3254    1.2399 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6193    0.7416    0.5965 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7047    1.4669    0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4444    1.1361    0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3487    0.2913    2.1821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0114   -0.4468   -0.5661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4151   -1.5014    0.7427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9112    0.5332   -0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6843   -1.2260   -1.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2891   -1.3145    1.1787 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053    0.4991    1.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4238   -1.1115   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1363    1.1846   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7271    1.3473   -0.2040 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
  9 21  1  0
M  END