Mol:LBF18108HO02


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   5.0454   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7601    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4745   -0.4118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7601    0.8257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3307    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6163   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9018    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1874   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4754   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7634   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6606   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4856   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2001    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9146   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6265   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3385   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0505   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7625   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4745   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0514    0.8214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9146   -1.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2001    0.8229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9121    1.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6241    0.8229    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 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  2  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 
11 21  1  0 
15 22  1  0 
14 23  1  0 
23 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18108HO02 FORMULA C20H38O5 EXACTMASS 358.271924326 AVERAGEMASS 358.51272 SMILES OC(CCCCCCCC(O)=O)C=CC(C(O)CCCCC)OCC AUTODRAW FALSE M END