HMDB0002229
     RDKit          3D
3-Phenoxypropionic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -4.2708   -1.0492    1.6618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7079   -0.3340    0.7562 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1442    0.9718    0.5712 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6155   -0.8947   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2853   -0.2545    0.2715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2329   -0.7774   -0.4807 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403   -0.2594   -0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3259    0.7704    0.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6197    1.2457    0.6939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    0.7042   -0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3588   -0.3179   -0.9140 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0611   -0.8079   -1.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2425    1.3361   -0.3599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5376   -1.9967    0.1107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8473   -0.7873   -1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0363   -0.4006    1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3364    0.8359    0.1211 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5646    1.2395    1.1663 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8755    2.0454    1.3697 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6554    1.0930    0.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1662   -0.7507   -1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9265   -1.6118   -1.7640 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  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
  3 13  1  0
  4 14  1  0
  4 15  1  0
  5 16  1  0
  5 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