HMDB0059982
     RDKit          3D
4-hydroxybenzoic acid-4-O-sulphate
 20 20  0  0  0  0  0  0  0  0999 V2000
   -3.3671   -1.7102   -1.5564 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0519   -0.9740   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0007   -0.6926    0.3682 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7220   -0.4020   -0.4790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7587   -0.6682   -1.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5164   -0.1271   -1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8643    0.6899   -0.2689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1285    1.2380   -0.1441 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4208    0.5392    0.6501 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4935    0.1102   -0.3346 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0935    1.5462    1.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0184   -0.8095    1.5453 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1171    0.9373    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    0.4058    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3874    0.2291    0.5182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0520   -1.3096   -2.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2562   -0.3509   -2.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0683   -0.8396    1.7701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1509    1.5736    1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1591    0.6146    1.3325 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  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  7 13  1  0
 13 14  2  0
 14  4  1  0
  3 15  1  0
  5 16  1  0
  6 17  1  0
 12 18  1  0
 13 19  1  0
 14 20  1  0
M  END