Mol:LBF18000HO05

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   4.9864   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7011    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4155   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7011    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2718    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5573   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8428    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1284   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4164    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7044   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4316    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1436   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8556    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5676   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2795    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9915   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7035    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4155   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1284   -1.0298    0.0000 O   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  1  0 
 8 21  1  0 

S SKP 6 ID LBF18000HO05 FORMULA C18H36O3 EXACTMASS 300.266445018 AVERAGEMASS 300.47664 SMILES CCCCCCCCCCCCC(O)CCCCC(O)=O AUTODRAW FALSE M END