Mol:BMFYB5DAk010

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 11  0  0  0  0  0  0  0  0  1 V2000
   21.2029   -8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0511   -7.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0511   -6.0702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2029   -5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2029   -4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8993   -5.4052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3547   -7.4002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2029   -9.3952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0511   -3.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.3547   -3.4102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8993   -4.0752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.7475   -6.0702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  3  2  0  0  0  0
  6 12  1  0  0  0  0
  6 11  2  0  0  0  0
  3  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  2  0  0  0  0
  4  5  1  0  0  0  0
  3  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  7  2  0  0  0  0
  2  1  1  0  0  0  0
S  SKP  7
ID	BMFYB5DAk010
NAME	cis-Aconitic acid
FORMULA	C6H6O6
EXACTMASS	174.0164
AVERAGEMASS	174.1082
SMILES	OC(=O)CC(=CC(O)=O)C(O)=O
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00417
M  END

</pre>