HMDB0240461
     RDKit          3D
4-Methylcatechol 2-sulfate
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.3264    1.8224    0.9704 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5528    0.6258    0.4822 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1824   -0.3276   -0.2926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4195   -1.3958   -0.7060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0872   -1.5430   -0.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322   -2.6420   -0.8287 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5426   -0.5852    0.3945 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8889   -0.7196    0.7296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212   -0.0945   -0.2246 S   0  0  0  0  0  6  0  0  0  0  0  0
    4.4167   -0.7832    0.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8642   -0.4329   -1.6537 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2587    1.5652    0.0212 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2194    0.4856    0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2630    1.9323    0.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6919    2.7120    0.7019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5245    1.7506    2.0418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2247   -0.2202   -0.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9365   -2.1415   -1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1615   -3.3348   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762    2.0797   -0.8069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2660    1.2465    1.4229 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
  5  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  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  6 19  1  0
 12 20  1  0
 13 21  1  0
M  END