HMDB0240663
     RDKit          3D
3-Methylcatechol 2-sulfate
 21 21  0  0  0  0  0  0  0  0999 V2000
   -1.3056   -1.7292    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1799   -0.3775    0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2119    0.1858   -0.6107 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0330    1.4498   -1.1306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8712    2.1594   -0.9184 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1390    1.5758   -0.1594 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125    2.2673    0.0670 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119    0.3159    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9842   -0.2768    1.1286 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1393   -1.2105    0.2953 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.1449   -0.8734   -1.1858 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8391   -2.6614    0.4118 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6946   -0.8999    0.8539 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8919   -2.5255    0.1094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8342   -1.7951    1.7537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4043   -1.9047    0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1031   -0.4130   -0.7473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8229    1.8951   -1.7188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7289    3.1540   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0261    1.8226    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1190   -0.1586    0.3754 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  1  0
  6  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
  8  2  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  4 18  1  0
  5 19  1  0
  7 20  1  0
 13 21  1  0
M  END