Mol:LBF17115BC01


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

21 20  0  0  0  0  0  0  0  0999 V2000 
   4.6856   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4003    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1147   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4003    1.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8606   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1461    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4317   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7197    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0077   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2957    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4163   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1283    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8403   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5523    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2667   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9787    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6907   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4027    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1147   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4317   -1.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6856   -1.0312    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 
18 19  1  0 
 7 20  1  0 
 1 21  1  0 

S SKP 6 ID LBF17115BC01 FORMULA C19H36O2 EXACTMASS 296.271530396 AVERAGEMASS 296.48794000000004 SMILES CCCCCCCCCCCCC(C)CC=C(C)C(O)=O AUTODRAW FALSE M END