Mol:BMCCQI--k010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 15 16  0  0  0  0  0  0  0  0999 V2000
    3.7321   -0.2500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  5  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
 10  5  1  0  0  0  0
  9 10  2  0  0  0  0
  9  1  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4 10  1  0  0  0  0
  4 12  1  0  0  0  0
  8 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 15  2  0  0  0  0
  2 11  1  0  0  0  0
S  SKP  7
ID	BMCCQI--k010
NAME	Xanthurenic acid
FORMULA	C10H7NO4
EXACTMASS	205.0375
AVERAGEMASS	205.1669
SMILES	OC(=O)c(c1)nc(c(O)2)c(ccc2)c(O)1
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C02470
M  END

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