Mol:BMMCBZ3Sk035

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 16  0  0  0  0  0  0  0  0999 V2000 
    8.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    0.0000    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 
    4.5981    0.0000    0.0000 C   0  0  0  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   -0.0000    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 
    3.7321    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.5000    0.0000 N   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 
    8.0622    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    8.9282   -0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641   -1.5000    0.0000 O   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 11  1  0  0  0  0 
  8  7  1  0  0  0  0 
  5  4  1  0  0  0  0 
  7  6  2  0  0  0  0 
  4  3  1  0  0  0  0 
  6  5  1  0  0  0  0 
  3  2  1  0  0  0  0 
  5 10  2  0  0  0  0 
  2  1  1  0  0  0  0 
 10  9  1  0  0  0  0 
  1 13  1  0  0  0  0 
  1 14  2  0  0  0  0 
  7 12  1  0  0  0  0 
  4 15  2  0  0  0  0 
  9  8  2  0  0  0  0 
  2 16  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ3Sk035 
NAME	4- (2-Amino-3-hydroxy-phenyl) -2,4-dioxobutanoic acid 
CAS_RN	857760-67-9 
FORMULA	C10H9NO5 
EXACTMASS	223.048 
AVERAGEMASS	223.1822 
SMILES	OC(=O)C(=O)CC(=O)c(c1)c(N)c(O)cc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C05645 
M  END