Mol:LBF121nnCA01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 16 15  0  0  0  0  0  0  0  0999 V2000 
   -2.4032    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9907   -0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1657   -0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1657    1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9907    1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4521    0.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2615    1.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4521    0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2615   -0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9752    0.1093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9751    0.7143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9751   -0.1107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6896    1.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6888   -0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6888   -1.1268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4032    0.1107    0.0000 O   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 
  4  5  1  0  0  0  0 
  1  5  1  0  0  0  0 
  4  6  1  0  0  0  0 
  6  7  1  0  0  0  0 
  3  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
  7 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 11 13  1  0  0  0  0 
 10 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 14 16  1  0  0  0  0 
S  SKP  5 
ID	LBF121nnCA01 
FORMULA	C12H20O4 
EXACTMASS	228.13615912799997 
AVERAGEMASS	228.2848 
SMILES	OC(=O)CCCCCCCCC=CC(O)=O 
M  END