HMDB0039651
     RDKit          3D
3-Propyl-1,2-cyclopentanedione
 22 22  0  0  0  0  0  0  0  0999 V2000
    3.1989    0.0892   -0.2142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639    0.5294   -0.2610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8627   -0.3502    0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5531    0.1385    0.4848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1026    0.1384   -0.9105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5995    0.3259   -0.6569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7747   -0.5847    0.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8629   -1.0930    0.8888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4893   -0.7711    1.1846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1901   -1.5265    2.1369 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3426   -0.8861    0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5818    0.0770   -1.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8458    0.8127    0.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7218    1.5551    0.1896 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3796    0.6282   -1.2946 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1843   -0.2432    1.6294 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9301   -1.4103    0.3134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6306    1.1791    0.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7015    0.9232   -1.5520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9512   -0.8424   -1.3940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2044   -0.0619   -1.4797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7518    1.3726   -0.4061 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  1  0
  7  8  2  0
  7  9  1  0
  9 10  2  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  3 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  5 20  1  0
  6 21  1  0
  6 22  1  0
M  END