HMDB0134105
     RDKit          3D
2-hydroxy-3-(sulfooxy)benzoic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
   -2.5178   -1.9124   -1.0522 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7226   -0.9702   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9717   -0.7101    0.3035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6332   -0.0798    0.1380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955    0.9633    1.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7617    1.7924    1.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4769    1.5534    0.8252 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6637    0.5041   -0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051    0.2291   -0.6191 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0352   -0.8164    0.1061 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.5022   -1.3567    1.4206 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3285   -1.9124   -0.8622 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4091    0.1106    0.4432 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3825   -0.3196   -0.4039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1928   -1.3782   -1.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7854   -1.0847   -0.1552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7755    1.1395    1.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9091    2.6322    2.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296    2.1688    1.0678 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0736    0.9857    0.7428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7239   -1.5386   -1.6745 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  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
  8 14  2  0
 14 15  1  0
 14  4  1  0
  3 16  1  0
  5 17  1  0
  6 18  1  0
  7 19  1  0
 13 20  1  0
 15 21  1  0
M  END