HMDB0304081
     RDKit          3D
2-oxo-3-phenylpropanoate
 19 19  0  0  0  0  0  0  0  0999 V2000
    4.1269   -0.4800   -0.2752 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5425    0.2263    0.6023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3627    0.9474    1.4513 O   0  0  0  0  0  1  0  0  0  0  0  0
    2.0943    0.2684    0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5953    0.9927    1.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1987   -0.4948   -0.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330   -0.2694    0.1248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8884    0.7572   -0.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2377    1.0386   -0.2514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    0.2403    0.6491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2565   -0.7987    1.2843 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9290   -1.0512    1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450   -0.1796   -1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4123   -1.5932   -0.1329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930    1.4024   -1.2097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7483    1.8538   -0.7484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9545    0.4379    0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8168   -1.4166    1.9977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4181   -1.8814    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12  7  1  0
  6 13  1  0
  6 14  1  0
  8 15  1  0
  9 16  1  0
 10 17  1  0
 11 18  1  0
 12 19  1  0
M  CHG  1   3  -1
M  END