Mol:LBG00ck-:YS2CA0001:18000SC01


27 26  0  0  0  0  0  0  0  0999 V2000 
   4.9500    2.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1250    2.0881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9500    1.2631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7750    1.2631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9500    2.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -7.0125   -4.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.6000   -3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7750   -3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3625   -2.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5375   -2.9131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1250   -2.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3000   -2.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8875   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0625   -1.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6500   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8250   -0.7697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4125   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4125   -0.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8250    0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6500    0.6592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0625    1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8875    1.3737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3000    2.0881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7750    2.9131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1875    3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7750    4.3421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   7.0125    3.6276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 1  3  1  0 
 3  4  1  0 
 5  1  1  0 
 2 23  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 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
 5 24  1  0 
24 25  1  0 
25 26  2  0 
25 27  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 M SAL 1 3 21 22 23 M SBL 1 1 5 M SMT 1 CH3(CH2)1^7 M SBV 1 5 0.8250 0.0000 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 4 24 25 26 27 M SBL 2 1 23 M SMT 2 OCOCH3 M SBV 2 23 -0.8250 0.0000 S SKP 5 ID LBG00ck-:YS2CA0001:18000SC01::01 FORMULA C23H46O4 EXACTMASS 386.33960995999996 AVERAGEMASS 386.60894 SMILES CCCCCCCCCCCCCCCCCCOC(CO)COC(C)=O M END