Mol:LBF121nnXX01

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

14 14  0  0  0  0  0  0  0  0999 V2000 
   3.4878   -0.0774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7731    0.3352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0587   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3442    0.3351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6297   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0823    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7943   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5062    0.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2182   -0.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0029    0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4878   -0.4899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0029   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2182   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7731    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  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  2  0 
13  9  1  0 
 2 14  2  0 

S SKP 6 ID LBF122nnXX01 FORMULA C12H20O2 EXACTMASS 196.14632988399998 AVERAGEMASS 196.28599999999997 SMILES OC(=O)CCCCCCC(C1)C=CC1 AUTODRAW FALSE M END