Mol:LBF11109BC02

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   2.5484   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2630   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9775   -0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2630    0.8243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7234   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0089   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2944   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4175   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1295   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8415   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5535   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2655   -0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9775   -0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5484   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0089    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2944    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4200    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1345    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8465    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5610    1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2754    0.8257    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 
12 13  1  0 
 1 14  1  0 
 6 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 

S SKP 6 ID LBF11109BC02 FORMULA C19H36O2 EXACTMASS 296.271530396 AVERAGEMASS 296.48794000000004 SMILES CCCCCCCC(CCCCCCC)C=C(C)C(O)=O AUTODRAW FALSE M END