Mol:LBF20207PG30

(Redirected from Mol:LBF20307PG14)


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

26 26  0  0  0  0  0  0  0  0999 V2000 
  -1.1726    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8869    0.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6299    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6299   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4174   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9040    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4174    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8063   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0921   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3776   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3447    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3722    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0867    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8009    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5154    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2299    0.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5154   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3369   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0513   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7656   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4775   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1896   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3776   -1.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6723   -1.3022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6723    1.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9040   -0.7817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 3  2  1  6 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  3  1  0 
 4  8  1  1 
 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  6 
 5 24  1  6 
 7 25  2  0 
22 26  1  0 

S SKP 6 ID LBF20207PG30 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(CCC[C@@H](O)C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](CC1=O)O)CO AUTODRAW FALSE M END