HMDB0039619
     RDKit          3D
Isopropyl butyrate
 23 22  0  0  0  0  0  0  0  0999 V2000
    3.8013    0.6523    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5400   -0.1917   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4595    0.7672   -0.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1667    0.1244   -0.8691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1218   -0.4950   -1.9245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8133    0.1932    0.1049 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0911   -0.3918   -0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2151    0.5892    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3351   -1.4776    0.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5449    1.4941    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5869    0.0619    0.5738 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1832    1.0591   -0.9078 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149   -0.6214    0.8371 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7697   -0.9702   -0.9134 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3618    1.5388    0.1622 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8359    1.2669   -1.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1220   -0.8792   -1.0366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0520    0.1971   -0.5817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6183    0.6542    1.0913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9217    1.6249   -0.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9535   -1.1563    1.9929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4339   -1.6247    1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8871   -2.4153    0.6404 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  2  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  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
  7 17  1  0
  8 18  1  0
  8 19  1  0
  8 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
M  END