HMDB0035243
     RDKit          3D
1-Phenyl-1,2-propanedione
 19 19  0  0  0  0  0  0  0  0999 V2000
   -3.5403    0.0772    0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0856    0.3277    0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9343    1.0787    1.4987 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0545   -0.2931   -0.2800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4012   -1.0351   -1.2626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3673   -0.1386   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8689    0.6316    0.9814 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2488    0.7226    1.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1192    0.0664    0.2955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6128   -0.7022   -0.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2614   -0.8033   -0.8921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856   -0.6199    0.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5814   -0.3749   -0.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0346    1.0603    0.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    1.1742    1.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5973    1.3462    1.9623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1831    0.1459    0.4264 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2795   -1.2432   -1.4193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8573   -1.4205   -1.7122 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  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END