HMDB0242163
     RDKit          3D
3-Methoxycatechol sulfate
 21 22  0  0  0  0  0  0  0  0999 V2000
   -2.5900   -1.2851    0.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7794   -0.9116   -0.6793 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6559   -0.1274   -0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8557    1.2339   -0.5054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983    1.7940   -0.7745 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2248    2.0568   -0.2847 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0643    3.4516   -0.3329 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4543    1.4959   -0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6457    0.1069    0.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5976   -0.6959   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8453   -2.0511   -0.1114 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -2.1904    0.3664 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.2289   -2.9441   -0.6689 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6177   -2.7385    1.7372 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8443   -0.5254    0.2968 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9208   -1.7908    1.1473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9740   -0.3514    0.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3813   -1.9750    0.0800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8980    1.2225   -0.9382 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8672    4.0436   -0.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2811    2.1816    0.1499 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
  4  6  1  0
  6  7  1  0
  6  8  2  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  1  0
 12 13  2  0
 12 14  2  0
 12 15  1  0
 10  3  1  0
 15  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  5 19  1  0
  7 20  1  0
  8 21  1  0
M  END