Mol:LBF161nnXX01

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

18 18  0  0  0  0  0  0  0  0999 V2000 
   3.4852   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1999    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9143   -0.0788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1999    1.1587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7706    0.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0561   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3416    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6272   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0848    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7968   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5088    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2208   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9328    0.3323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6448   -0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4294    0.1762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9143   -0.4913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4294   -1.1587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6448   -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  2  0 
18 14  1  0 

S SKP 6 ID LBF161nnXX01 FORMULA C16H28O2 EXACTMASS 252.20893013999998 AVERAGEMASS 252.39231999999998 SMILES OC(=O)CCCCCCCCCCC(C1)C=CC1 AUTODRAW FALSE M END