HMDB0000720
     RDKit          3D
Levulinic acid
 16 15  0  0  0  0  0  0  0  0999 V2000
   -2.4782    0.6087    0.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1102    0.0894    0.8219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7479   -0.0612    1.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2365   -0.2264   -0.3238 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1129   -0.7407    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8609    0.2314    0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4431    1.3633    1.2526 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1179   -0.1542    1.3538 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7495    1.3864    1.3179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5838    1.0844   -0.4222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2483   -0.1877    0.6616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1194    0.7048   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7056   -1.0247   -0.9475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9796   -1.6545    0.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6700   -1.0570   -0.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7952   -0.3621    0.6187 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  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  4 12  1  0
  4 13  1  0
  5 14  1  0
  5 15  1  0
  8 16  1  0
M  END