Mol:LBF11109BC01

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

14 13  0  0  0  0  0  0  0  0999 V2000 
   2.5484   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2630    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9775   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2630    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7234   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0089    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2944   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4175    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1295   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8415    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5535   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2655    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2944   -1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9775   -0.2077    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 
10 11  1  0 
11 12  1  0 
 7 13  1  0 
12 14  1  0 

S SKP 6 ID LBF11109BC01 FORMULA C12H22O2 EXACTMASS 198.16197994799998 AVERAGEMASS 198.30187999999998 SMILES CCCCCCC(C)CC=CC(O)=O AUTODRAW FALSE M END