HMDB0031600
     RDKit          3D
(±)-2-Pentanol acetate
 23 22  0  0  0  0  0  0  0  0999 V2000
    2.6435    0.1753   -0.6793 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2219    0.2404    0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7664    0.5690    0.9158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1485   -0.4408    0.2571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0910   -1.7682    0.8937 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4273    0.0780    0.3816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2416    0.4237   -0.6631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6120    0.9791   -0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7207    0.2273   -1.7919 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9247   -0.8754   -0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5002    0.8403   -0.9053 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8190    0.4892   -1.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7830    1.0873    1.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5364   -0.6545    1.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6025    1.5756    0.4881 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5160    0.5775    1.9925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1182   -0.5344   -0.8362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0683   -2.1430    0.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1062   -1.6227    1.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6342   -2.5473    0.6374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8817    1.6682   -1.3268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7244    1.5459    0.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3068    0.1095   -0.4594 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
  4  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
  2 14  1  0
  3 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  5 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
M  END