HMDB0168668
     RDKit          3D
Methyl-4-hydroxybenzoate sulfate
 23 23  0  0  0  0  0  0  0  0999 V2000
   -4.6792    0.5651    0.6540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2726    0.3462    0.7405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5350   -0.0968   -0.3440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1489   -0.3047   -1.4257 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0943   -0.3239   -0.2655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4193   -0.0983    0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9463   -0.2996    1.0360 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6821   -0.7407   -0.0424 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0568   -0.9458    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0762    0.3715   -0.2793 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.5340    0.1973   -1.7110 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3110    1.6607   -0.1739 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3880    0.3638    0.7642 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0012   -0.9652   -1.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3572   -0.7647   -1.3420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9534    0.9236   -0.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9146    1.3366    1.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2228   -0.3498    0.9326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9808    0.2521    1.7840 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707   -0.1186    1.9716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4140    1.2499    1.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5837   -1.3170   -2.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8859   -0.9416   -2.2662 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
  3  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
  8 14  1  0
 14 15  2  0
 15  5  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  6 19  1  0
  7 20  1  0
 13 21  1  0
 14 22  1  0
 15 23  1  0
M  END