HMDB0031591
     RDKit          3D
5-Methyl-5-hepten-2-one
 23 22  0  0  0  0  0  0  0  0999 V2000
    2.6391   -1.5883   -0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2620   -0.2381    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1430    0.3968   -0.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9477    1.7570    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2614   -0.2726   -0.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1335   -0.5698   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0484    0.5309   -0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4169    0.2504    0.2217 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7418    1.6761   -0.4704 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3792   -2.0034    0.7495 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8334   -2.3092   -0.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2467   -1.4909   -0.9546 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9498    0.2853    1.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2219    1.8362    1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7780    2.5263   -0.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9112    2.1493    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6860   -1.2305   -1.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1819    0.3634   -1.8999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5722   -1.1324   -1.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085   -1.3538    0.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7691    1.0048    0.9518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1595    0.1804   -0.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3916   -0.7679    0.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  2  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
M  END