Mol:BMFYB5DAk011

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 13 12  0  0  0  0  0  0  0  0999 V2000 
    4.3220   -1.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8220   -1.0779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5981    2.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660    0.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3220   -1.9440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8220   -2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2321    1.6760    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7321    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.4641    2.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8660   -0.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0000    0.8100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  4  5  1  0  0  0  0 
  2  3  1  0  0  0  0 
  5 10  2  0  0  0  0 
  5 11  1  0  0  0  0 
  3  4  1  0  0  0  0 
  3  6  1  0  0  0  0 
  1  2  1  0  0  0  0 
  3  9  1  0  0  0  0 
  1  7  2  0  0  0  0 
  6 12  2  0  0  0  0 
  8  1  1  0  0  0  0 
  6 13  1  0  0  0  0 
S  SKP  7 
ID	BMFYB5DAk011 
NAME	Citric acid 
FORMULA	C6H8O7 
EXACTMASS	192.027 
AVERAGEMASS	192.1235 
SMILES	OC(=O)CC(O)(CC(O)=O)C(O)=O 
KEGG	http://www.genome.jp/dbget-bin/www_bget?compound+C00158 
M  END