Mol:LBF181nnXX01

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

20 20  0  0  0  0  0  0  0  0999 V2000 
   4.1972   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9119    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.6263   -0.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9119    1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4826    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7681   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0536    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3392   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6272    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0848   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7968    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5088   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2208    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9328   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6448    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3568   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1414    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.6263   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1414   -1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3568   -0.9038    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  1  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 
19 20  2  0 
20 16  1  0 

S SKP 6 ID LBF182nnXX01 FORMULA C18H32O2 EXACTMASS 280.240230268 AVERAGEMASS 280.44548000000003 SMILES OC(=O)CCCCCCCCCCCCC(C1)C=CC1 AUTODRAW FALSE M END