Mol:LBF12000BC01

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

15 14  0  0  0  0  0  0  0  0999 V2000 
   2.8507   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5655    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2800   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5655    1.0299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1361    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4215   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7070    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7197    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4318   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1439    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8559   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5680    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2800   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8559   -1.0299    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 
12 15  1  0 

S SKP 6 ID LBF12000BC01 FORMULA C13H26O2 EXACTMASS 214.19328007599998 AVERAGEMASS 214.34433999999996 SMILES CCC(C)CCCCCCCCC(O)=O AUTODRAW FALSE M END