Mol:LBF09000BC03

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

13 12  0  0  0  0  0  0  0  0999 V2000 
   1.7825   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4971   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2116   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4971    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0678   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3533   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3611   -0.2062    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 
   0.4844    0.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6512    0.3771    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 
 5 12  1  0 
 5 13  1  0 

S SKP 6 ID LBF09000BC03 FORMULA C11H22O2 EXACTMASS 186.16197994799998 AVERAGEMASS 186.29118 SMILES CCCCCCC(C)(C)CC(O)=O AUTODRAW FALSE M END