Mol:BMACXXCAq002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  1  0  0  0  0  0999 V2000
    3.5000    0.2010    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6340   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6340   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -1.7990    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.3660   -1.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3660   -0.2990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    1.0670    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5000    1.9330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000    0.2010    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0000    1.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000    1.9330    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   -2.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
  9 12  1  0  0  0  0
  9 13  2  0  0  0  0
  2  1  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
  1 11  1  6  0  0  0
  4 16  1  6  0  0  0
S  SKP  7
ID	BMACXXCAq002
NAME	L-Pretyrosine
FORMULA	C10H13NO5
EXACTMASS	227.0793
AVERAGEMASS	227.2139
SMILES	O[C@H](C=1)C=C[C@@](C1)(C(O)=O)C[C@H](N)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00826
M  END

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