HMDB0060016
     RDKit          3D
Pyrogallol-1-O-sulphate
 19 19  0  0  0  0  0  0  0  0999 V2000
    3.8482    1.5114   -0.4369 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7510    0.6607    0.1730 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.2578    1.2236    1.4619 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3929   -0.8733    0.4772 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5326    0.5131   -0.9755 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2101    0.4356   -0.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5570    1.5702   -0.3755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8536    1.4836    0.0513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4446    0.2681    0.3321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702   -0.8664    0.1643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2118   -2.1250    0.4322 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3626   -0.7835   -0.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310   -1.9296   -0.4391 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8646   -1.1520   -0.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0948    2.5331   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4564    2.3797    0.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4666    0.1676    0.6709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1679   -2.1988    0.7477 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0027   -2.8182   -0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  2  0
  2  4  1  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 12  6  1  0
  4 14  1  0
  7 15  1  0
  8 16  1  0
  9 17  1  0
 11 18  1  0
 13 19  1  0
M  END