HMDB0060013
     RDKit          3D
O-methoxycatechol-O-sulphate
 21 21  0  0  0  0  0  0  0  0999 V2000
    2.4492    1.5980    0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1606    1.2919   -0.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6567    0.0133   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4433   -1.0651    0.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9240   -2.3343   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3734   -2.5354   -0.5068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1155   -1.4232   -0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6400   -0.1336   -0.7262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4191    0.9555   -1.0630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4062    1.7217    0.0768 S   0  0  0  0  0  6  0  0  0  0  0  0
   -3.8532    1.6197   -0.3366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0807    3.1953    0.1348 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2117    1.0937    1.6130 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5025    1.6732    1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221    0.8711   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7272    2.6104   -0.0753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4549   -0.9686    0.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5344   -3.1695    0.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7576   -3.5444   -0.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1263   -1.5875   -1.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912    0.1176    1.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  2  0
 10 13  1  0
  8  3  1  0
  1 14  1  0
  1 15  1  0
  1 16  1  0
  4 17  1  0
  5 18  1  0
  6 19  1  0
  7 20  1  0
 13 21  1  0
M  END