Mol:LBF16114BC01


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   4.3296   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0443    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7587   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0443    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5046   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7901    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0757   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3637    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6517   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0603    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7723   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4843    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1963   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9083    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6227   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3347    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0467   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7587    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5046   -1.0312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6517   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1963   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0467   -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  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 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
 5 19  1  0 
 9 20  1  0 
13 21  1  0 
17 22  1  0 

S SKP 6 ID LBF16114BC01 FORMULA C20H38O2 EXACTMASS 310.28718046 AVERAGEMASS 310.51452 SMILES CC(CCCC(CCCC(CCCC(C)C)C)C)=CC(O)=O AUTODRAW FALSE M END