Mol:LBF30000SC01


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

32 31  0  0  0  0  0  0  0  0999 V2000 
   1.7777    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4923    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2068    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0630    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3486    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3635    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9188    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6307    0.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9188    1.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0754    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7874    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4994    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2114    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9234    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6354    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3474    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3474   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6329   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9184   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2040   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4895   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7750   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0605   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3486   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3634   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0754   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7874   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4994   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2114   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9234   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6354   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3474   -1.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 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 
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27 28  1  0 
28 29  1  0 
29 30  1  0 
30 31  1  0 
31 32  1  0 

S SKP 6 ID LBF30000SC01 FORMULA C30H60O2 EXACTMASS 452.459331164 AVERAGEMASS 452.79620000000006 SMILES CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O AUTODRAW FALSE M END