Mol:LBF20207TX03


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

26 26  0  0  0  0  0  0  0  0999 V2000 
  -1.9547    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9547   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6691   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3836   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3836    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6691    0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0137    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2993    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5257    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2402    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9547    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6691    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3836    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2427   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5307   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1813   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8933   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6053   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0956    0.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3836   -0.0795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3148   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0218   -0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7288   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1813   -1.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6691    1.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0956   -0.7670    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  1  1  0 
 1  7  1  6 
 7  8  1  0 
 8  9  2  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
 2 14  1  1 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
13 19  1  0 
13 20  2  0 
18 21  1  0 
21 22  1  0 
22 23  1  0 
16 24  1  6 
 6 25  1  6 
 4 26  2  0 

S SKP 6 ID LBF20307TX03 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1=O)O)CC=CCCCC(O)=O)CC AUTODRAW FALSE M END