HMDB0059637
     RDKit          3D
3-(3,5-Diiodo-4-hydroxyphenyl)pyruvate
 21 21  0  0  0  0  0  0  0  0999 V2000
    4.0356   -0.3130   -1.3523 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5981   -0.0504   -0.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4931    0.2006    0.8042 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1859   -0.0112    0.0263 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7498    0.2515    1.1645 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2428   -0.2822   -1.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1657   -0.2016   -0.6585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8275   -1.3072   -0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1663   -1.2392    0.2086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2093   -2.9148    0.9322 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8033   -0.0217    0.1144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1449    0.0357    0.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1650    1.1106   -0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1527    2.9617   -0.4911 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8344    0.9944   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5835    1.1196    1.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5054   -1.3043   -1.4710 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4410    0.4950   -1.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3599   -2.2869   -0.0996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6841    0.8927    0.4775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3220    1.8708   -1.1059 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  9 10  1  0
  9 11  2  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 13 15  2  0
 15  7  1  0
  3 16  1  0
  6 17  1  0
  6 18  1  0
  8 19  1  0
 12 20  1  0
 15 21  1  0
M  END