HMDB0032140
     RDKit          3D
2',4'-Dimethylacetophenone
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.0967   -1.1926   -0.3190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2689   -0.0318    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8229    1.0549    0.3548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8109   -0.1008   -0.0158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2150   -1.3068   -0.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1837   -1.3829   -0.4269 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9688   -0.3007   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4469   -0.3895   -0.1512 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3718    0.8844    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0249    0.9863    0.3048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6298    2.2678    0.7001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6886   -2.1575    0.0816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172   -1.0290    0.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1517   -1.2451   -1.4362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7863   -2.1866   -0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6257   -2.3231   -0.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8731    0.6417   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7153   -0.9861   -1.0437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8012   -0.9374    0.7652 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9636    1.7536    0.5151 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1646    3.0313    0.8864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2416    2.2263    1.6087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2602    2.7235   -0.1126 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 11  1  0
 10  4  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  5 15  1  0
  6 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
  9 20  1  0
 11 21  1  0
 11 22  1  0
 11 23  1  0
M  END