HMDB0250588
     RDKit          3D
Cumene hydroperoxide
 23 23  0  0  0  0  0  0  0  0999 V2000
   -1.7230   -0.3991    1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767    0.1559    0.0104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5905   -0.5601   -1.2094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450    1.5084   -0.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6065    1.8140   -0.2293 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4007   -0.0019    0.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2027    0.9816   -0.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5872    0.9181   -0.4755 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1765   -0.2014    0.1003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3758   -1.1741    0.6283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9882   -1.1042    0.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7255    0.0794    1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1368   -0.2602    2.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9445   -1.4935    1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963   -0.2635   -2.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6676   -0.3164   -1.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5292   -1.6594   -1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8382    2.5638    0.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7785    1.8702   -0.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836    1.7209   -0.9011 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.2118    0.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370   -2.0457    1.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3922   -1.9211    1.0605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  2  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11  6  1  0
  1 12  1  0
  1 13  1  0
  1 14  1  0
  3 15  1  0
  3 16  1  0
  3 17  1  0
  5 18  1  0
  7 19  1  0
  8 20  1  0
  9 21  1  0
 10 22  1  0
 11 23  1  0
M  END