Mol:LBF20212LT01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   3.2619   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9767    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6911   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9767    1.2369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5472    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8327   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1207    0.4104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4086   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4164   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1310    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8429    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5550    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2670    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9791    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6911    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6911   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9766   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2621   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5476   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8330   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1186   -1.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4040   -0.8244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1207    1.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9791    1.2327    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  2  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  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 
 7 23  1  1 
14 24  2  0 

S SKP 6 ID LBF20212LT01 FORMULA C20H34O4 EXACTMASS 338.24570957599997 AVERAGEMASS 338.48156 SMILES C(CCCCC(CCC=CC=C[C@H](CCCC(O)=O)O)=O)CCC AUTODRAW FALSE M END