HMDB0059752
     RDKit          3D
5-Sulfoxymethylfurfural
 19 19  0  0  0  0  0  0  0  0999 V2000
   -4.6416    0.8691    1.0253 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4946    0.6374    1.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4067    0.3977    0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5284    0.4029   -0.8237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2942    0.1386   -1.3576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4390   -0.0234   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9938   -0.3231   -0.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6316   -0.4376    0.7987 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2585   -0.7797    0.5202 S   0  0  0  0  0  6  0  0  0  0  0  0
    3.5538   -0.7318   -0.9683 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5900   -2.1790    1.0012 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2713    0.2699    1.3206 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1474    0.1399    0.8028 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3680    0.6269    2.5450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4524    0.5866   -1.3824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0770    0.0777   -2.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5340    0.4940   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1758   -1.2527   -1.0363 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8405    1.0866    1.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  2  0
  9 12  1  0
  6 13  1  0
 13  3  1  0
  2 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  7 18  1  0
 12 19  1  0
M  END