Mol:LBF17000BC03

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   4.6317   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3463    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0608   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3463    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9170    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2026   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4881    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7736   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0616    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3496   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3624    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0744   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7863    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4983   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2103    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9223   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6343    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3488   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0608    0.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9223   -1.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2026   -1.0298    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 
16 20  1  0 
 6 21  1  0 

S SKP 6 ID LBF17000BC03 FORMULA C19H38O2 EXACTMASS 298.28718046 AVERAGEMASS 298.50382 SMILES CCCC(C)CCCCCCCCCC(C)CCC(O)=O AUTODRAW FALSE M END