HMDB0245781
     RDKit          3D
3-(4-Fluorobenzoyl)propionic acid
 23 23  0  0  0  0  0  0  0  0999 V2000
   -4.1307    0.0243    1.3664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7090    0.2435    0.1977 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2600    1.2591   -0.5671 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6200   -0.5716   -0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3126   -0.0126    0.1345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1448   -0.7646   -0.3965 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3121   -1.7405   -1.1818 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814   -0.3333    0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600    0.7296    0.8765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6219    1.1509    1.2844 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7154    0.4762    0.8125 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    0.8512    1.1822 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5616   -0.5922   -0.0446 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2932   -0.9951   -0.4383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2056    1.1188   -0.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380   -1.6414   -0.0702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6749   -0.4834   -1.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2535   -0.0802    1.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1787    1.0405   -0.1488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4900    1.2650    1.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7050    1.9853    1.9527 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4431   -1.0979   -0.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050   -1.8315   -1.1078 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  1  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  2  0
 14  8  1  0
  3 15  1  0
  4 16  1  0
  4 17  1  0
  5 18  1  0
  5 19  1  0
  9 20  1  0
 10 21  1  0
 13 22  1  0
 14 23  1  0
M  END