HMDB0031174
     RDKit          3D
4-Methyl-5-hexanolide
 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.4982    1.2972   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197    0.3967    0.4256 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8730    1.0960    0.5942 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9939    0.5935   -0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0157   -0.8728   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0575   -1.5513   -0.5972 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8277   -1.5595   -0.3091 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3856   -0.8591   -0.3611 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4645   -1.8051    0.1617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305    2.1564   -0.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528    1.7329    0.5982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1430    0.7516   -0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8065    0.1403    1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7437    2.1949    0.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2361    1.0796    1.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9548    0.9003    0.2075 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983    1.0958   -1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6297   -0.6791   -1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9990   -2.2940   -0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -2.5793    0.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1721   -1.2350    0.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  1  0
  8  2  1  0
  1 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  3 14  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  8 18  1  0
  9 19  1  0
  9 20  1  0
  9 21  1  0
M  END