Mol:BMMCBZ2Ok001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 16 16  0  0  0  0  0  0  0  0999 V2000
    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
    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
    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 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
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.5000    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
    2.8660   -1.0000    0.0000 C   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
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  2  1  0  0  0  0
  2  1  1  0  0  0  0
  2 14  2  0  0  0  0
  1 12  1  0  0  0  0
  1 13  2  0  0  0  0
  5 10  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  4  5  1  0  0  0  0
 11 16  1  0  0  0  0
 11 15  2  0  0  0  0
  6 11  1  0  0  0  0
  4  3  2  0  0  0  0
S  SKP  7
ID	BMMCBZ2Ok001
NAME	(3E)-4-(2-Carboxy-phenyl)-2-oxobut-3-enoic acid
FORMULA	C11H8O5
EXACTMASS	220.0371
AVERAGEMASS	220.1782
SMILES	OC(=O)C(=O)C=Cc(c1)c(ccc1)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01275
M  END

</pre>