Mol:BMMCBZ3Sk035

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BMMCBZ3Sk035.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  0  0  0  0  0  0999 V2000
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -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
    3.7321   -0.5000    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
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    1.5000    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   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0622    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9282   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6 11  1  0  0  0  0
  8  7  1  0  0  0  0
  5  4  1  0  0  0  0
  7  6  2  0  0  0  0
  4  3  1  0  0  0  0
  6  5  1  0  0  0  0
  3  2  1  0  0  0  0
  5 10  2  0  0  0  0
  2  1  1  0  0  0  0
 10  9  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  2  0  0  0  0
  7 12  1  0  0  0  0
  4 15  2  0  0  0  0
  9  8  2  0  0  0  0
  2 16  2  0  0  0  0
S  SKP  7
ID	BMMCBZ3Sk035
NAME	4-(2-Amino-3-hydroxy-phenyl)-2,4-dioxo-butanoic acid
FORMULA	C10H9NO5
EXACTMASS	223.048
AVERAGEMASS	223.1822
SMILES	OC(=O)C(=O)CC(=O)c(c1)c(N)c(O)cc1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05645
M  END

</pre>

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