Mol:LBF13000BC05

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

16 15  0  0  0  0  0  0  0  0999 V2000 
   3.2064   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9211   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6355   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9211    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4918   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7773   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0629   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3484   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876    0.6145    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 
11 16  1  0 

S SKP 6 ID LBF13000BC05 FORMULA C14H28O2 EXACTMASS 228.20893013999998 AVERAGEMASS 228.37091999999998 SMILES CCCCC(C)CCCCCCCC(O)=O AUTODRAW FALSE M END