HMDB0240655
     RDKit          3D
o-Cresol sulfate
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.9186    2.0201    0.1885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9502    0.5383    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0576   -0.1293    0.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -1.5020    0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0703   -2.1990   -0.1761 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0122   -1.5098   -0.6625 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0787   -0.1377   -0.5528 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1801    0.5532   -1.0486 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5101    0.8213   -0.0197 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.1502    2.1040   -0.4069 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070    0.8348    1.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6720   -0.4027   -0.2063 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9949    2.3074    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8395    2.4180   -0.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0123    2.4216   -0.2589 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8716    0.4360    1.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9522   -2.0308    0.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1309   -3.2946   -0.2599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8166   -2.0546   -1.1348 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4374   -1.1943    0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  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  2  1  0
  1 13  1  0
  1 14  1  0
  1 15  1  0
  3 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
 12 20  1  0
M  END