Mol:LBF20303TX01

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

25 26  0  0  0  0  0  0  0  0999 V2000 
  -2.3109    0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3109    0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0253   -0.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7399    0.0129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7399    0.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0253    1.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3698    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6553    0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1697    0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8843    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5988    0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3133    1.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0278    0.9224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5988   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8868   -0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1747   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5373   -0.1016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2494   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0745   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7890   -0.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5035   -0.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7399    1.3335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0278    0.2894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1747   -1.3349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0253    0.4255    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 
18 19  2  0 
19 20  1  0 
20 21  1  0 
13 22  1  0 
13 23  2  0 
16 24  1  6 
 6 25  1  6 
 4 25  1  6 

S SKP 6 ID LBF20403TX01 FORMULA C21H32O4 EXACTMASS 348.23005951199997 AVERAGEMASS 348.47637999999995 SMILES C([C@H]([C@H](C=C[C@H](O)CC=CCC)2)[C@@H](C1)O[C@H](C2)1)C=CCCCC(O)=O AUTODRAW FALSE M END