Mol:BMFYB5DAk015

<pre>

Copyright: ARM project http://www.metabolome.jp/
 12 11  0  0  0  0  0  0  0  0999 V2000
    5.4641    1.2500    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
    4.5981   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2500    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
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1  8  2  0  0  0  0
  2  1  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3  4  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
S  SKP  7
ID	BMFYB5DAk015
NAME	trans-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+C02341
M  END

</pre>