HMDB0031550
     RDKit          3D
5-Methyl-3-hexen-2-one
 20 19  0  0  0  0  0  0  0  0999 V2000
    3.2408   -0.3110    0.1817 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7272   -0.3597    0.1226 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -1.2380    0.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0967    0.5950   -0.6843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1836    0.6745   -0.8334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2605   -0.0383   -0.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2964    1.0257    0.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812   -1.1608    0.5590 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5810    0.0995    1.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    0.2756   -0.6605 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6468   -1.3422    0.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7415    1.3608   -1.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5171    1.5330   -1.5409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8857   -0.3681   -1.2853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    1.6186    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1528    0.4872    0.6700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6685    1.6381   -0.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0858   -2.1691    0.1869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1836   -0.9821    1.6361 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
  5  6  1  0
  6  7  1  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  5 13  1  0
  6 14  1  0
  7 15  1  0
  7 16  1  0
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
M  END