HMDB0031559
     RDKit          3D
4-Methyl-2,3-pentanedione
 18 17  0  0  0  0  0  0  0  0999 V2000
    2.8461    0.4647   -0.4075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5397   -0.1902   -0.4720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3668   -1.1148   -1.2991 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4270    0.1805    0.3803 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199    1.1099    1.2036 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8871   -0.4670    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8539    0.1174    1.3232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5220   -0.3950   -1.0474 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5148    0.0476    0.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146    1.5479   -0.1205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4197    0.4082   -1.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7566   -1.5362    0.5731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7535   -0.4873    1.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3043    0.2967    2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1294    1.1346    0.9313 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0950   -1.0974   -1.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -0.6827   -0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    0.6633   -1.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  6 12  1  0
  7 13  1  0
  7 14  1  0
  7 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
M  END