Mol:LBF09000BC01

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   1.7825   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4971    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2116   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4971    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0678    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3533   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3611    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7825   -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 
 1 12  1  0 

S SKP 6 ID LBF09000BC01 FORMULA C10H20O2 EXACTMASS 172.14632988399998 AVERAGEMASS 172.2646 SMILES CCCCCCCC(C)C(O)=O AUTODRAW FALSE M END