Mol:BMFYB7DAk001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 14  0  0  1  0  0  0  0  0999 V2000 
    6.3301    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    3.7321   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7320   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    2.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  3  2  0  0  0  0 
  7 10  2  0  0  0  0 
  5  4  1  4  0  0  0 
  7 11  1  0  0  0  0 
  8 12  1  0  0  0  0 
  3  2  1  0  0  0  0 
  5  6  1  0  0  0  0 
  2 13  2  0  0  0  0 
  6  7  1  0  0  0  0 
  2  1  1  0  0  0  0 
  5  8  1  0  0  0  0 
  1 14  2  0  0  0  0 
  8  9  2  0  0  0  0 
  1 15  1  0  0  0  0 
S  SKP  7 
ID	BMFYB7DAk001 
NAME	5-Oxopent-3-ene-1,2,5-tricarboxylic acid 
CAS_RN	74305-57-0 
FORMULA	C8H8O7 
EXACTMASS	216.027 
AVERAGEMASS	216.1449 
SMILES	OC(=O)CC(C=CC(=O)C(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C04052 
M  END