Mol:LBF20115PG05

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

25 25  0  0  0  0  0  0  0  0999 V2000 
  -0.8355    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5499    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2931    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2931   -0.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0805   -0.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5671    0.2141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0805    0.8838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4900   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7756   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0611   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0076    0.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7092    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4237    0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1382    1.0420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8526    0.6295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5671    1.0420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8526   -0.0585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6533   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3677   -0.8435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0822   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7941   -0.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5062   -0.4310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0611   -1.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3354   -1.2403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3354    1.6684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  1 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 8  9  1  0 
 9 10  1  0 
 1 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
15 17  2  0 
10 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
10 23  2  0 
 5 24  1  6 
 7 25  1  6 

S SKP 6 ID LBF20115PG05 FORMULA C20H34O5 EXACTMASS 354.240624198 AVERAGEMASS 354.48096000000004 SMILES C(CCC(=O)CC[C@H]([C@@H]1CC=CCCCC(O)=O)[C@@H](C[C@@H]1O)O)CC AUTODRAW FALSE M END