Mol:LBF20107PG08

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

25 25  0  0  0  0  0  0  0  0999 V2000 
   2.0614    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4906    0.4090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7761    1.6466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3467    0.8217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0823    0.8216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7969    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5089    0.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210    0.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056    0.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4906   -0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0056   -0.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2210   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5064   -0.8287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7920   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6321   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3442   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0563   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7683   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4804   -0.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2606    1.4487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2597   -1.4531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0799   -1.6466    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 
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  1  6 
13 24  2  0 
17 25  1  6 

S SKP 6 ID LBF20107PG08 FORMULA C20H32O4 EXACTMASS 336.23005951199997 AVERAGEMASS 336.46567999999996 SMILES C(CC[C@H](O)C=C[C@H]([C@H]1CCCCCCC(O)=O)C=CC(=O)1)CC AUTODRAW FALSE M END