HMDB0246399
     RDKit          3D
4-Chlorophenoxyacetic acid
 19 19  0  0  0  0  0  0  0  0999 V2000
   -4.1375    1.5387   -0.6762 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2596    0.6378   -0.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6529   -0.6562   -0.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8335    0.8970   -0.3973 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1217   -0.3155   -0.4857 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435   -0.2886   -0.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8881    0.8833    0.0603 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2479    0.8398    0.2827 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223   -0.3551    0.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6680   -0.3746    0.4827 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2819   -1.5296   -0.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349   -1.4944   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3772   -1.4533   -0.3861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6925    1.2648    0.6603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4098    1.6562   -1.0908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3440    1.8399    0.1330 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7633    1.7752    0.5307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8049   -2.4654   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3860   -2.4000   -0.5895 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
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12  6  1  0
  3 13  1  0
  4 14  1  0
  4 15  1  0
  7 16  1  0
  8 17  1  0
 11 18  1  0
 12 19  1  0
M  END