Mol:BMMCBZ2Ok001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  0  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 
    5.4641    1.5000    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   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    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 
    7.1962    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  2 14  2  0  0  0  0 
  1 12  1  0  0  0  0 
  1 13  2  0  0  0  0 
  5 10  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  7  2  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
  4  5  1  0  0  0  0 
 11 16  1  0  0  0  0 
 11 15  2  0  0  0  0 
  6 11  1  0  0  0  0 
  4  3  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Ok001 
NAME	2- [(E) -4-Hydroxy-3,4-dioxobut-1-enyl] benzoic acid 
CAS_RN	85896-59-9 
FORMULA	C11H8O5 
EXACTMASS	220.0371 
AVERAGEMASS	220.1782 
SMILES	OC(=O)C(=O)C=Cc(c1)c(ccc1)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01275 
M  END