Mol:LBF10204SC01

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

12 11  0  0  0  0  0  0  0  0999 V2000 
   2.2501   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9648   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6792   -0.6180    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9648    0.6195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4251   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7107   -0.2055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0038   -0.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7158   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5408   -0.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2553   -0.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9673   -0.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6792   -0.6195    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 LBF10204SC01 FORMULA C10H16O2 EXACTMASS 168.11502975599998 AVERAGEMASS 168.23283999999998 SMILES CCCC=CCCC=CC(O)=O AUTODRAW FALSE M END