Mol:LBF08106BC02

Copyright: ARM project http://www.metabolome.jp/

13 12  0  0  0  0  0  0  0  0999 V2000 
   1.4804   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1951   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9095   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1951    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6554   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0591   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7735   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4855   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1975   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9095   -0.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0591    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7735    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4804   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  2  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
 9 10  1  0 
 6 11  1  0 
11 12  1  0 
 1 13  1  0 

S SKP 6 ID LBF08106BC02 FORMULA C11H20O2 EXACTMASS 184.14632988399998 AVERAGEMASS 184.2753 SMILES CCCCC(CC)C=C(C)C(O)=O AUTODRAW FALSE M END