HMDB0031564
     RDKit          3D
4-Methyl-4-penten-2-one
 17 16  0  0  0  0  0  0  0  0999 V2000
   -1.6981    1.0727   -1.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0991    0.4085   -0.2036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8936   -0.5622    0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3151    0.6143    0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -0.6393   -0.0571 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5859   -0.5073    0.2311 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6230   -1.6961   -0.3944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7598    0.9235   -1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0951    1.7851   -1.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2589   -1.3914    0.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2245   -0.0141    1.5136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7798   -0.9426    0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8095    1.3710   -0.5398 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    0.9480    1.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9189    0.4634   -0.1726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1814   -1.3159   -0.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7480   -0.5178    1.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  5  7  2  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  6 15  1  0
  6 16  1  0
  6 17  1  0
M  END