View source for Mol:BMFYB5DAk015

 
 
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 
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    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 
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    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