Mol:LBF16000BC05

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   4.2757   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9903    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7048   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9903    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5610    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8466   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1321    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4176   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7056    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0064   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7184    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4303   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1423    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8543   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5663    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2783   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9903    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7048   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2757   -1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2783   -1.0298    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  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
 1 19  1  0 
16 20  1  0 

S SKP 6 ID LBF16000BC05 FORMULA C18H36O2 EXACTMASS 284.271530396 AVERAGEMASS 284.47724 SMILES CCC(C)CCCCCCCCCCCC(C)C(O)=O AUTODRAW FALSE M END