Mol:BMCCQI--k003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 17  0  0  1  0  0  0  0  0999 V2000 
    4.5981    1.0000    0.0000 N   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 
    3.7321   -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  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 
    7.1962   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    7.1962    0.5000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    6.3301    1.0000    0.0000 C   0  0  3  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 
    2.8660    1.0000    0.0000 C   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 
    2.8660    2.0000    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 
    8.0622    1.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    6.3301    2.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  5  2  0  0  0  0 
  6  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 10  2  0  0  0  0 
  9  1  1  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4 10  1  0  0  0  0 
 11 13  1  0  0  0  0 
 11 12  2  0  0  0  0 
  2 11  1  0  0  0  0 
  4 14  1  0  0  0  0 
  7 15  1  4  0  0  0 
  8 16  1  4  0  0  0 
S  SKP  7 
ID	BMCCQI--k003 
NAME	7,8-Dihydroxy-4-oxo-7,8-dihydro-1H-quinoline-2-carboxylic acid 
FORMULA	C10H9NO5 
EXACTMASS	223.048 
AVERAGEMASS	223.1822 
SMILES	OC(=O)c(c1)nc(C(O)2)c(C=CC(O)2)c(O)1 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C01249 
M  END