HMDB0032608
     RDKit          3D
4'-Methylacetophenone
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.2229    0.7443   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3471   -0.3056   -0.5721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8097   -1.2466   -1.2471 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9192   -0.2690   -0.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3902    0.7615    0.4223 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816    0.8345    0.6881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8096   -0.1613    0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2599   -0.0557    0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3014   -1.2041   -0.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0534   -1.2325   -0.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2624    0.3170    0.0343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9646    1.0527    0.9933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2298    1.6741   -0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9898    1.5650    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4068    1.6407    1.2711 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8048    0.5300   -0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4596    0.4399    1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6788   -1.0842    0.4340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9661   -1.9673   -0.9440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4796   -2.0334   -1.3772 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  2  0
  7  8  1  0
  7  9  1  0
  9 10  2  0
 10  4  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  8 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
M  END