Mol:LBF12102SC01

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

14 13  0  0  0  0  0  0  0  0999 V2000 
   2.9082   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6228   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3373   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6228    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1935   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4791   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7646   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0501   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6619   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3738   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0858   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7978   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6228   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.2062    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  1  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 
12 13  2  0 
13 14  1  0 

S SKP 6 ID LBF12102SC01 FORMULA C12H22O2 EXACTMASS 198.16197994799998 AVERAGEMASS 198.30187999999998 SMILES CC=CCCCCCCCCC(O)=O AUTODRAW FALSE M END