Mol:BMCCQI--k006

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Copyright: ARM project http://www.metabolome.jp/
 14 15  0  0  0  0  0  0  0  0999 V2000
    4.5981    1.0000    0.0000 N   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
    3.7321   -0.5000    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
    6.3301   -1.0000    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
    7.1962    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.0000    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
    5.4641   -0.5000    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
    2.0000    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.0000    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
  9  8  1  0  0  0  0
  8  7  2  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  4  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2  1  2  0  0  0  0
  1  9  1  0  0  0  0
  4 14  1  0  0  0  0
  7  6  1  0  0  0  0
  2 11  1  0  0  0  0
  6  5  2  0  0  0  0
 11 13  1  0  0  0  0
  5 10  1  0  0  0  0
 11 12  2  0  0  0  0
S  SKP  7
ID	BMCCQI--k006
NAME	Kynurenic acid
FORMULA	C10H7NO3
EXACTMASS	189.0425
AVERAGEMASS	189.1675
SMILES	OC(=O)c(c1)nc(c2)c(ccc2)c(O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01717
M  END

</pre>