Mol:LBF20406HP09


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

26 25  0  0  0  0  0  0  0  0999 V2000 
   2.1300   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8447    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5591   -0.2152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8447    1.0223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4154    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7009   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0111    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8361    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5506   -0.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2650    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0900    0.1959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5775   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0614   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2364   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5219   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6969   -1.0209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0175   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7295   -1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4415   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1535   -1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8655   -1.4334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5775   -1.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2650    1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0111    1.0209    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5506    1.4334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7034    1.4334    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  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
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 
10 23  1  0 
 7 24  1  0 
23 25  1  0 
24 26  1  0 

S SKP 6 ID LBF20406HP09 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CCC(OO)C=CC=CC=CC(OO)CC=CCCCC(O)=O)CC AUTODRAW FALSE M END