HMDB0031598
     RDKit          3D
2,3-Pentanedione
 15 14  0  0  0  0  0  0  0  0999 V2000
   -2.1846    0.0105   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    0.5910    0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1633   -0.1904    0.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2616   -1.2912    1.1068 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1683    0.3105   -0.4008 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3699   -0.5116   -0.6334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0588    1.3997   -0.9891 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5790    0.7996   -0.7366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8336   -0.8357   -0.6841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0579   -0.2815    0.5924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840    0.5550    1.8937 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9262    1.6569    0.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0012   -1.5212   -0.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0413   -0.0856   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8879   -0.6061    0.3492 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  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
  6 13  1  0
  6 14  1  0
  6 15  1  0
M  END