Mol:LBF18206OX01

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

21 20  0  0  0  0  0  0  0  0999 V2000 
   5.1031   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.5323   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8178    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3885   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6740   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9596   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2451   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5331   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6029   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4279   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1423   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9673   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6818   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3963   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1083   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8203   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.5323   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091    0.6145    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  2  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 
11 21  2  0 

S SKP 6 ID LBF18206OX01 FORMULA C18H30O3 EXACTMASS 294.21949482599996 AVERAGEMASS 294.429 SMILES CCCCCC=CC=CC(=O)CCCCCCCC(O)=O AUTODRAW FALSE M END