Mol:LBF09000BC01

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 12 11  0  0  1  0  0  0  0  0999 V2000 
    0.4601   -0.6920    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
    0.4601   -1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7688   -0.6920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3564   -0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7688    0.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7688   -1.4063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6772    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2647    0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4397    0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0273    0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7977    0.0225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2102   -0.6919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  4  0  0  0 
  1  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  4  6  1  0  0  0  0 
  1  7  1  0  0  0  0 
  3 12  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 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
S  SKP  5 
ID	LBF09000BC01 
FORMULA	C10H20O2 
EXACTMASS	172.14632988399998 
AVERAGEMASS	172.2646 
SMILES	CCCCCCCC(C)C(O)=O 
M  END