HMDB0242166
     RDKit          3D
4-Methylcatechol sulfate
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.1784    3.1065   -1.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3469    2.0861   -0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3379    2.3085    1.0692 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587    1.5286    1.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5036    0.2707    1.4266 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2456   -0.5641    2.2009 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8862   -0.1776    0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7790   -1.5131    0.0136 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238    0.7409   -0.4701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2764    0.4799   -0.3871 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0359    1.1706    0.9378 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.2244    1.8447    0.4470 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1545    0.1399    1.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0103    2.3564    1.5418 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2745    4.0821   -1.0482 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0918    2.8276   -2.2772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2660    3.2061   -1.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3239    1.7868    2.9394 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6601   -1.2137    1.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6616   -1.9554    0.8758 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
  7  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  9  2  1  0
 14  3  1  0
  1 15  1  0
  1 16  1  0
  1 17  1  0
  4 18  1  0
  6 19  1  0
  8 20  1  0
M  END