Mol:LBF20207HP02


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

26 27  0  0  0  0  0  0  0  0999 V2000 
  -0.6626    1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3746    1.5546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1152    1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1152    0.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8998    0.0636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3847    0.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8998    1.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3149   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6029    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1624    1.1436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8769    1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5889    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3008    1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0128    1.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7248    1.5561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0128    0.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5331   -0.3229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2451    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9546   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6641    0.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1091   -1.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8211   -1.5561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7248    1.3985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7248    0.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  0 
 8  9  2  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  1  0 
23 24  1  0 
 7 25  1  0 
 5 26  1  0 
25 26  1  0 

S SKP 6 ID LBF20207HP02 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CCC(OO)C=CC(C21)C(CC=CCCCC(O)=O)C(OO2)C1)CC AUTODRAW FALSE M END