Mol:LBF12000OX02

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

15 14  0  0  0  0  0  0  0  0999 V2000 
   2.8553   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5699   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2844   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5699    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1406   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4263   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7119   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0026   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7146   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4265   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1409   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8554   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5699   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2844   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1409    0.6187    0.0000 O   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 
11 15  2  0 

S SKP 6 ID LBF12000OX02 FORMULA C12H22O3 EXACTMASS 214.15689457 AVERAGEMASS 214.30128 SMILES CCCC(=O)CCCCCCCC(O)=O AUTODRAW FALSE M END