HMDB0303905
     RDKit          3D
(E)-methyl ester 3-phenyl-2-propenoic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
    4.5292   -0.6393    0.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1175   -0.5602    0.3384 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5374    0.5654   -0.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2746    1.4828   -0.6340 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0956    0.7170   -0.3327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2605   -0.2045    0.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1704   -0.0740   -0.0220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9956   -1.1080    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3643   -1.0103    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0007    0.0859   -0.1827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2010    1.1029   -0.6453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8014    1.0140   -0.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8628   -0.7266    1.4941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204   -1.5630   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946    0.2219   -0.0683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7263    1.6255   -0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7039   -1.0901    0.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4817   -1.9594    0.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9632   -1.8323    0.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0907    0.1224   -0.2326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6467    1.9796   -1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2071    1.8502   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  2  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
  1 13  1  0
  1 14  1  0
  1 15  1  0
  5 16  1  0
  6 17  1  0
  8 18  1  0
  9 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
M  END