HMDB0240519
     RDKit          3D
Gallic acid 3-sulfate
 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.6973   -1.5094    0.3580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6230   -1.5328   -0.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -2.5404   -1.1922 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5937   -0.5261   -0.0667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7933    0.4878    0.8481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8233    1.4206    1.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9880    2.4612    1.9469 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3535    1.3541    0.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163    2.3187    0.5182 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916    0.3607   -0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7409    0.2871   -1.3290 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1497   -0.5089   -0.9351 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5894   -1.2979   -2.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2948    0.4202   -0.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9859   -1.6165    0.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3975   -0.5789   -0.7917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8628   -2.5365   -2.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7300    0.5411    1.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8193    2.5557    2.4964 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1929    3.0622    1.1760 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8288   -1.2143    1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3070   -1.4077   -1.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 10 16  2  0
 16  4  1  0
  3 17  1  0
  5 18  1  0
  7 19  1  0
  9 20  1  0
 15 21  1  0
 16 22  1  0
M  END