Mol:LBF20107PG22

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

26 26  0  0  0  0  0  0  0  0999 V2000 
   2.0614    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4906    0.3122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    1.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3467    0.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0823    0.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7969    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5089    0.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210    0.3122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056    0.5672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4906   -0.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056   -0.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5064   -0.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7920   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3442   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0563   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7683   -0.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4804   -0.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2606    1.3519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2597   -1.5498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6466   -1.4906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5035   -1.5073    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 
10  9  1  6 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 10  1  0 
14 15  1  1 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
11 23  2  0 
13 24  1  6 
17 25  1  6 
17 26  1  1 

S SKP 6 ID LBF20107PG22 FORMULA C21H36O5 EXACTMASS 368.256274262 AVERAGEMASS 368.50754 SMILES C(=C[C@H]([C@H]1CCCCCCC(O)=O)[C@@H](CC1=O)O)[C@](C)(O)CCCCC AUTODRAW FALSE M END