Mol:BMMCBZ2Ok023

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 15 15  0  0  0  0  0  0  0  0999 V2000 
    5.4641    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321   -3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000   -1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  3  1  0  0  0  0 
  3  2  1  0  0  0  0 
  2  1  1  0  0  0  0 
  1 12  1  0  0  0  0 
  1 13  2  0  0  0  0 
  5  6  2  0  0  0  0 
  5 10  1  0  0  0  0 
 10  9  2  0  0  0  0 
  9  8  1  0  0  0  0 
  8  7  2  0  0  0  0 
  7  6  1  0  0  0  0 
  4  5  1  0  0  0  0 
  6 11  1  0  0  0  0 
  4 15  2  0  0  0  0 
  2 14  2  0  0  0  0 
S  SKP  7 
ID	BMMCBZ2Ok023 
NAME	4-(2-Amino-phenyl)-2,4-dioxobutanoic acid 
CAS_RN	90924-76-8 
FORMULA	C10H9NO4 
EXACTMASS	207.0531 
AVERAGEMASS	207.1828 
SMILES	OC(=O)C(=O)CC(=O)c(c1)c(N)ccc1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01252 
M  END