HMDB0062551
     RDKit          3D
4-Ethylphenylsulfate
 23 23  0  0  0  0  0  0  0  0999 V2000
   -3.6996    0.2045   -0.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7869   -0.2950    0.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3672   -0.1600    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7233   -1.1948   -0.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -1.0612   -0.8621 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414    0.0604   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6851    0.2006   -0.8394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -0.2627    0.1844 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.4525   -0.7093    1.5324 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6780   -1.4132   -0.4510 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0569    0.9735    0.4111 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6832    1.0853    0.1027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6748    0.9817    0.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7408    0.1668   -0.2776 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6770   -0.3871   -1.5915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140    1.2721   -0.9276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0377   -1.3602    0.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0551    0.2862    1.3372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2781   -2.0843   -0.8131 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1567   -1.8595   -1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8263    1.7451   -0.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2102    1.9891    0.3726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1107    1.8219    0.9214 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  2  0
  8 10  2  0
  8 11  1  0
  6 12  1  0
 12 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
 11 21  1  0
 12 22  1  0
 13 23  1  0
M  END