HMDB0059636
     RDKit          3D
3-(3,5-Diiodo-4-hydroxyphenyl)lactate
 23 23  0  0  0  0  0  0  0  0999 V2000
    4.1074   -1.2824    0.4817 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3965   -0.2449    0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202    0.9780   -0.0172 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340   -0.2654    0.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759   -1.5328    1.1399 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1949    0.0836   -0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2688    0.1063   -0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9764    1.2298    0.0275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3460    1.2368    0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4112    2.9643    0.7532 I   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0676    0.0695   -0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4445    0.0212    0.1265 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3845   -1.0853   -0.3957 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4387   -2.8504   -0.7207 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9968   -1.0497   -0.5492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9124    1.7244    0.6500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7201    0.4611    1.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3808   -1.9433    1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4893   -0.6950   -1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5937    1.0421   -0.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4365    2.1392    0.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9501    0.8490    0.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5043   -1.9559   -0.8370 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  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
  4 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  8 21  1  0
 12 22  1  0
 15 23  1  0
M  END