Mol:LBG00k--:20406SC01


26 25  0  0  0  0  0  0  0  0999 V2000 
   4.0116   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0116    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1866   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1866    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4730    0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7594    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9344    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4241    0.3431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2206    0.6469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4930    1.0581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4730    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7594   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9491    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.9344   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.2206    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4930   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2066    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9202   -0.3692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6338    0.0419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7741    1.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5991    1.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5991    0.1794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4241    0.1794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2355    0.5933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5991   -0.6456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3135   -1.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  3  2  0 
 2  4  2  0 
 4  5  1  0 
 5  6  1  0 
 6  7  2  0 
 2  8  1  0 
 1  8  1  0 
 7  9  1  0 
 9 10  1  0 
 3 11  1  0 
11 12  1  0 
12 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
13 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
13 24  1  0 
10 24  1  0 
22 25  1  0 
25 26  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 25 26 M SBL 1 1 24 M SMT 1 CH2OH M SBV 1 24 0.0000 0.8250 S SKP 5 ID LBG00k--:20406SC01:::01 FORMULA C23H40O3 EXACTMASS 364.297745146 AVERAGEMASS 364.56190000000004 SMILES CCCCCC=CCC=CCC=CCC=CCCCCOCC(O)CO M END