Mol:LBF09000OX01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  0  0  0  0  0  0999 V2000 
    0.3572   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862   -1.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  4  6  2  0  0  0  0 
  1  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  3 11  2  0  0  0  0 
 10 12  1  0  0  0  0 
S  SKP  5 
ID	LBF09000OX01 
FORMULA	C9H16O3 
EXACTMASS	172.109944378 
AVERAGEMASS	172.22154 
SMILES	CCCCCCCC(=O)C(O)=O 
M  END