HMDB0126639
     RDKit          3D
3,5-dihydroxy-4-(sulfooxy)benzoic acid
 22 22  0  0  0  0  0  0  0  0999 V2000
   -3.9547    0.9008    1.3945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4220   -0.0040    0.6991 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1799   -0.9639    0.0305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9764   -0.0768    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3768   -1.0604   -0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0055   -1.1263   -0.3076 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6195   -2.1201   -1.0734 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7761   -0.1937    0.3397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -0.2367    0.2353 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9880    0.6073   -1.0123 S   0  0  0  0  0  6  0  0  0  0  0  0
    2.0317    1.4258   -1.8292 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0183    1.4911   -0.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7916   -0.4628   -2.0236 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1724    0.7995    1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0120    1.7154    1.7358 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1971    0.8666    1.2251 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6749   -1.6606    0.5887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9717   -1.8189   -0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5997   -2.1949   -1.1799 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -0.0026   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294    2.4641    2.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6352    1.6510    1.8267 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
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
  8 14  1  0
 14 15  1  0
 14 16  2  0
 16  4  1  0
  3 17  1  0
  5 18  1  0
  7 19  1  0
 13 20  1  0
 15 21  1  0
 16 22  1  0
M  END