HMDB0031516
     RDKit          3D
3-Hydroxy-2-pentanone
 17 16  0  0  0  0  0  0  0  0999 V2000
    2.3610   -0.1405   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0480   -0.4134   -0.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0264    0.5405   -0.1142 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0335    0.2278    1.2413 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2943    0.4204   -0.7663 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4540    0.0039    0.0618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226    0.6571   -1.9479 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1323    0.0694    1.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    0.7591   -0.4456 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0172   -1.0375   -0.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1641   -0.2806   -1.8011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7513   -1.4694   -0.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4449    1.5737   -0.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525   -0.7118    1.3007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120    0.4301   -0.3318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3060    0.4705    1.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5048   -1.0994    0.1789 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
  3  5  1  0
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  1 10  1  0
  2 11  1  0
  2 12  1  0
  3 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
M  END