Mol:LBF18304SC03


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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.1596   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8743   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5888   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8743    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4450   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7305   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0161   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3016   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5896   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8776   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1656   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5464   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3714   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0858   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9108   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6253   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.4503   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1648   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8768   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5888   -0.2062    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 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 

S SKP 6 ID LBF18304SC03 FORMULA C18H30O2 EXACTMASS 278.224580204 AVERAGEMASS 278.4296 SMILES CCCC=CC=CC=CCCCCCCCCC(O)=O AUTODRAW FALSE M END