Mol:BMACBZHLt008

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BMACBZHLt008.png

 
 
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 24 25  0  0  1  0  0  0  0  0999 V2000 
    3.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    3.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
    2.8660    4.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    2.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    4.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -4.5000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.3301   -2.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  8 10  1  6  0  0  0 
 14 23  1  0  0  0  0 
  8  7  1  0  0  0  0 
 15 24  1  0  0  0  0 
 13 22  1  0  0  0  0 
  7  1  1  0  0  0  0 
 11 20  1  0  0  0  0 
  9  8  1  0  0  0  0 
  9 17  2  0  0  0  0 
 18  9  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
 13 14  2  0  0  0  0 
  5 21  1  0  0  0  0 
  4 20  1  0  0  0  0 
 14 15  1  0  0  0  0 
  3 19  1  0  0  0  0 
S  SKP  7 
ID	BMACBZHLt008 
NAME	L-Thyroxine 
FORMULA	C15H11I4NO4 
EXACTMASS	776.6866 
AVERAGEMASS	776.8712 
SMILES	OC(=O)[C@@H](N)Cc(c1)cc(I)c(Oc(c2)cc(I)c(O)c(I)2)c(I)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01829 
M  END
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