View source for Mol:BMACBZHOd003

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Copyright: ARM project http://www.metabolome.jp/
 14 14  0  0  1  0  0  0  0  0999 V2000
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7321   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.5000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3 13  1  0  0  0  0
  1  6  2  0  0  0  0
  4 14  1  0  0  0  0
  6  5  1  0  0  0  0
  5  4  2  0  0  0  0
 11  9  1  0  0  0  0
  4  3  1  0  0  0  0
  9  8  1  0  0  0  0
  3  2  2  0  0  0  0
  8  7  1  0  0  0  0
  7  1  1  0  0  0  0
  2  1  1  0  0  0  0
  9 12  2  0  0  0  0
  8 10  1  1  0  0  0
S  SKP  7
ID	BMACBZHOd003
NAME	3-Iodo-L-tyrosine
FORMULA	C9H10INO3
EXACTMASS	306.9705
AVERAGEMASS	307.0854
SMILES	OC(=O)[C@@H](N)Cc(c1)cc(I)c(O)c1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02515
M  END
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