Mol:LBF10204SC02

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   2.1973   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9120   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6264   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9120    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4828   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7683   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0539   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6606   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4856   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2000   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9145   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6264   -0.2077    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  2  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  2  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 

S SKP 6 ID LBF10204SC02 FORMULA C10H16O2 EXACTMASS 168.11502975599998 AVERAGEMASS 168.23283999999998 SMILES CCCC=CCCC=CC(O)=O AUTODRAW FALSE M END