HMDB0031609
     RDKit          3D
Phenoxyacetic acid
 19 19  0  0  0  0  0  0  0  0999 V2000
    4.1830    1.2180    0.1199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2600    0.3769    0.0206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5382   -0.9660   -0.1706 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8513    0.8226    0.1087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0113   -0.2754   -0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3602   -0.2517    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314    0.9313    0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4096    0.9100    0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1327   -0.2597    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388   -1.4331   -0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0587   -1.4320   -0.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4231   -1.3816    0.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7445    1.3431    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6439    1.5771   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5076    1.8881    0.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9370    1.8662    0.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2266   -0.2092    0.0795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0036   -2.3487   -0.2399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5492   -2.3758   -0.2895 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
 10 11  2  0
 11  6  1  0
  3 12  1  0
  4 13  1  0
  4 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 10 18  1  0
 11 19  1  0
M  END