27 28  0  0  1  0  0  0  0  0999 V2000
   30.8193  -22.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6135  -21.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.8193  -23.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0367  -21.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4019  -20.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0367  -24.1801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2483  -22.0831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1961  -21.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4019  -19.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2483  -23.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.4598  -21.3782    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   25.9788  -20.6792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.1961  -22.7762    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   27.1961  -18.5764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6193  -18.5764    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
   34.4598  -24.1742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9788  -19.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.7615  -18.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5498  -19.2813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   22.3324  -18.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5498  -20.6792    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.1209  -19.2813    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3324  -17.1843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.9085  -18.5813    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
   22.3374  -21.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1249  -20.6792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3374  -22.7792    0.0000 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  2  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  4  7  2  0     0  0
  5  8  2  0     0  0
  5  9  1  0     0  0
  6 10  2  0     0  0
  7 11  1  0     0  0
  8 12  1  0     0  0
  8 13  1  0     0  0
  9 14  2  0     0  0
  9 15  1  0     0  0
 10 16  1  0     0  0
 12 17  2  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 19 21  1  6     0  0
 20 22  1  0     0  0
 20 23  2  0     0  0
  7 10  1  0     0  0
 14 17  1  0     0  0
 22 24  1  0     0  0
 21 25  1  0     0  0
 25 26  2  0     0  0
 25 27  1  0     0  0
M  END
> <ID>
CHEBI:80690

> <NAME>
Thyroglobulin triiodothyronine

> <STAR>
2

> <SYNONYM>
Thyroglobulin L-3,5,3'-triiodothyronine

> <FORMULA>
C16H11I3N2O4

> <MASS>
675.98300

> <MONOISOTOPIC_MASS>
675.78530

> <CHARGE>
0

> <SMILES>
Oc1ccc(Oc2c(I)cc(C[C@H](NC([*])=O)C(=O)N[*])cc2I)cc1I

> <KEGG_COMPOUND_ACCESSION>
C16730

$$$$