Mol:BMFYB6DAk008

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BMFYB6DAk008.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 14 13  0  0  1  0  0  0  0  0999 V2000 
    6.3301    1.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    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 
    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 
    5.4641   -1.2500    0.0000 C   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 
    7.1962    1.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -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 
    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  2  1  0  0  0  0 
  6 14  1  0  0  0  0 
  2 10  1  4  0  0  0 
  5  4  1  0  0  0  0 
  2  1  1  0  0  0  0 
  6 13  2  0  0  0  0 
  7 12  1  0  0  0  0 
  7 11  2  0  0  0  0 
  3  7  1  0  0  0  0 
  6  5  1  0  0  0  0 
  1  8  1  0  0  0  0 
  1  9  2  0  0  0  0 
  3  4  1  4  0  0  0 
S  SKP  7 
ID	BMFYB6DAk008 
NAME	Homoisocitric acid 
FORMULA	C7H10O7 
EXACTMASS	206.0426 
AVERAGEMASS	206.1501 
SMILES	OC(=O)CCC(C(O)=O)C(O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05662 
M  END
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