HMDB0124993
     RDKit          3D
Protocatechuic acid 3-O-sulfate
 21 21  0  0  0  0  0  0  0  0999 V2000
   -4.0538   -0.3105    0.7877 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0768    0.4290    0.5370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2320    1.7946    0.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7899   -0.1130    0.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6247   -1.4763    0.0676 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4246   -2.0553   -0.2882 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6365   -1.2030   -0.5589 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8851   -1.7060   -0.9260 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5267    0.1621   -0.4841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5663    1.0376   -0.7481 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6508    1.5903    0.4142 S   0  0  0  0  0  6  0  0  0  0  0  0
    1.8931    1.8510    1.7037 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    2.8729   -0.0757 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8154    0.4375    0.7566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7068    0.6882   -0.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6883    2.3680   -0.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4852   -2.1273    0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -3.1401   -0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785   -2.7065   -0.9844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9680   -0.1555   -0.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    1.7623   -0.0543 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
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  2  0
 11 14  1  0
  9 15  2  0
 15  4  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  8 19  1  0
 14 20  1  0
 15 21  1  0
M  END