Mol:LBF18206SC05

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

20 19  0  0  0  0  0  0  0  0999 V2000 
   5.1031   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5323   -0.6173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178    0.6202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3885   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6740   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9596   -0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2451   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5331   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7159   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4303   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1423   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9673   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6818   -0.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3963   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1083   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8203   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5323   -0.6187    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  2  0 
12 13  1  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 

S SKP 6 ID LBF18206SC05 FORMULA C18H32O2 EXACTMASS 280.240230268 AVERAGEMASS 280.44548000000003 SMILES CCCCCC=CCC=CCCCCCCCC(O)=O AUTODRAW FALSE M END