Mol:LBF141nnXX01

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

16 16  0  0  0  0  0  0  0  0999 V2000 
   2.7732   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4879    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2023   -0.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4879    1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0586    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3441   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6296    0.3337    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 
  -3.7174    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2023   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7174   -1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9328   -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  2  0 
16 12  1  0 

S SKP 6 ID LBF142nnXX01 FORMULA C14H24O2 EXACTMASS 224.17763001199998 AVERAGEMASS 224.33916 SMILES OC(=O)CCCCCCCCC(C1)C=CC1 AUTODRAW FALSE M END