HMDB0039095
     RDKit          3D
Pentyl acetate
 23 22  0  0  0  0  0  0  0  0999 V2000
    1.9759    1.2270    0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6214    0.2412   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6364   -1.1805   -0.3499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7127   -1.5517    0.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7317   -1.3142    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0908   -0.0003    0.1963 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3920    0.3087   -0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262    1.7360   -0.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2895   -0.5663   -0.0888 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889    0.8193    1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0197    1.5916    0.1918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    2.1450    0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6570    0.5108   -1.2473 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180    0.3305   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3405   -1.7858   -1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916   -1.4667   -0.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8363   -2.6448    0.9369 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825   -1.0588    1.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1190   -1.9907   -0.3395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2973   -1.6227    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7885    1.9215   -0.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5789    1.9497   -1.4528 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0933    2.4013    0.2622 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  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
  4 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