HMDB0240382
     RDKit          3D
Protocatechuic acid 4-O-sulfate
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.0944   -0.6375    1.0193 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4067   -0.4635   -0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9239   -0.6204   -1.2938 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0083   -0.0813    0.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4291    0.0921    1.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1110    0.4529    1.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6606    0.6488    0.3915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9774    1.0086    0.4960 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2845   -0.0411    0.5880 S   0  0  0  0  0  6  0  0  0  0  0  0
   -2.9169   -1.4251    1.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2740    0.5500    1.5833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1120   -0.1593   -0.8834 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1163    0.4847   -0.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8648    0.6738   -2.0297 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2089    0.1224   -0.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6968   -0.0619   -1.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0461   -0.0647    2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3502    0.5909    2.5001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2309   -1.0884   -1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8237    0.9359   -1.9507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6861   -0.0198   -1.9710 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  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  7 13  1  0
 13 14  1  0
 13 15  2  0
 15  4  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
 12 19  1  0
 14 20  1  0
 15 21  1  0
M  END