HMDB0240459
     RDKit          3D
4-Methylcatechol 1-sulfate
 21 21  0  0  0  0  0  0  0  0999 V2000
    3.4903   -0.3349   -0.7197 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0790   -0.1267   -0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3963   -1.1442    0.2965 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680   -1.0267    0.6849 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5861    0.1767    0.4109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9120    0.3933    0.7582 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1709    0.0051   -0.3149 S   0  0  0  0  0  6  0  0  0  0  0  0
   -4.0409    1.1937   -0.5999 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5645   -0.4120   -1.6365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0599   -1.2531    0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750    1.2048   -0.2237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5955    2.3904   -0.4851 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3922    1.0597   -0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8380    0.4044   -1.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5972   -1.3387   -1.2183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1500   -0.3600    0.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8935   -2.0684    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4674   -1.8298    1.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9264   -1.3202   -0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5635    2.5211   -0.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9077    1.8654   -1.0937 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
  7  8  2  0
  7  9  2  0
  7 10  1  0
  5 11  1  0
 11 12  1  0
 11 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
 10 19  1  0
 12 20  1  0
 13 21  1  0
M  END