Mol:LBF18203EO01


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

22 22  0  0  0  0  0  0  0  0999 V2000 
   4.7459   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4606   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1750   -0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4606    0.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0313   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3168   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6023   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8879   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1759   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4639   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2481   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9601   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6721   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3841   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2091   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6380   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4630   -0.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1775   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8895   -0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8895   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9601    0.2062    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  1  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  2  0 
18 19  1  0 
19 20  1  0 
 3 21  1  0 
12 22  1  0 
11 22  1  0 

S SKP 6 ID LBF18203EO01 FORMULA C19H32O3 EXACTMASS 308.23514489 AVERAGEMASS 308.45558 SMILES C(C(CC=CCC=CCC)1)(CCCCCCCC(=O)OC)O1 AUTODRAW FALSE M END