HMDB0001866
     RDKit          3D
3,4-Dihydroxymandelic acid
 21 21  0  0  0  0  0  0  0  0999 V2000
    2.6170    1.8356    0.4464 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6440    0.7086   -0.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5255    0.6327   -1.2104 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8226   -0.4397    0.2585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415   -1.5110   -0.5978 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -0.2205    0.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697   -1.3377    0.1814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -1.2156    0.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4180    0.0291   -0.0545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7860    0.1512   -0.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6096    1.1332   -0.0897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793    2.3905   -0.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2425    0.9970    0.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5324    0.5472   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266   -0.7674    1.2755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4557   -2.2965   -0.1230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0153   -2.3115    0.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4900   -2.0950    0.1100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715   -0.6676   -0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1538    2.5561   -0.3037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3460    1.8813   -0.0223 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  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  1  0
 11 13  2  0
 13  6  1  0
  3 14  1  0
  4 15  1  0
  5 16  1  0
  7 17  1  0
  8 18  1  0
 10 19  1  0
 12 20  1  0
 13 21  1  0
M  END