HMDB0062721
     RDKit          3D
3-ethylphenyl Sulfate
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.0890    0.0932    1.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1960   -0.8463    0.5325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1105   -0.1770   -0.1831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3331    0.2457   -1.4788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2983    0.8847   -2.1634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9164    1.0788   -1.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1616    0.6638   -0.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    0.8704    0.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811   -0.1935    0.3246 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.9456    0.6050    0.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8943   -0.8126   -1.0330 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5988   -1.3740    1.5284 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1207    0.0351    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4419    0.9118    0.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6389    0.4499    2.2446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9856   -0.5140    1.6142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7421   -1.5886    1.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8488   -1.3672   -0.2098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    0.0930   -1.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4530    1.2253   -3.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7407    1.5770   -2.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586   -1.5706    1.7729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3205   -0.2900    1.4373 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
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  7 13  2  0
 13  3  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  2 17  1  0
  2 18  1  0
  4 19  1  0
  5 20  1  0
  6 21  1  0
 12 22  1  0
 13 23  1  0
M  END