Mol:LBF18207TX01

(Redirected from Mol:LBF18307TX01)


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

24 24  0  0  0  0  0  0  0  0999 V2000 
  -1.7713    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7713   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4858   -0.7685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2002   -0.3560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2002    0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4858    0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8304    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1159    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7091    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4236    0.9659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1380    0.5534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8525    0.9659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0593   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3473   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3647   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0767   -0.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7887   -0.8815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4982   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2052   -0.8801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9122   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1380   -0.1069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9122   -0.7670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3647   -1.7037    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4858    1.7037    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 
 2 13  1  1 
13 14  2  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  2  0 
 4 22  1  0 
15 23  1  6 
 6 24  1  6 

S SKP 6 ID LBF18307TX01 FORMULA C18H30O6 EXACTMASS 342.204238692 AVERAGEMASS 342.42719999999997 SMILES [C@@H]([C@@H](CC=CCC(O)=O)1)(C=C[C@H](O)CCCCC)OC(O)C[C@@H]1O AUTODRAW FALSE M END