Mol:BMFYB5DAk013

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BMFYB5DAk013.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  1  0  0  0  0  0999 V2000 
    2.8660   -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 
    4.5981   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    5.4641    1.2500    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 
    2.0000    0.2500    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 
    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 
    6.3301   -0.2500    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 
    6.3301    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  4  0  0  0 
  3  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  6 10  1  0  0  0  0 
  6  9  2  0  0  0  0 
  4  5  1  0  0  0  0 
  4 11  1  4  0  0  0 
  5 12  1  0  0  0  0 
  5 13  2  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	BMFYB5DAk013 
NAME	Isocitric acid 
FORMULA	C6H8O7 
EXACTMASS	192.027 
AVERAGEMASS	192.1235 
SMILES	OC(=O)CC(C(O)=O)C(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00311 
M  END
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