Mol:LBF20107PG18

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

26 26  0  0  0  0  0  0  0  0999 V2000 
   2.0092    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7239    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4383    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7239    1.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2946    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5800    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1345    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8489    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5610    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2158    0.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0004    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4853    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0004   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2158   -0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5013   -0.9574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7867   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0747   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6373   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3493   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0613   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7733   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4853   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2553    1.4629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0747   -1.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2544   -1.4387    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8489   -0.0871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  1  0 
 8  9  1  0 
10  9  1  6 
10 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 10  1  0 
14 15  1  1 
15 16  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
11 23  1  6 
17 24  1  6 
13 25  1  6 
 8 26  2  0 

S SKP 6 ID LBF20107PG18 FORMULA C20H34O6 EXACTMASS 370.23553882 AVERAGEMASS 370.48036 SMILES C(CC[C@@H](O)C=C[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC AUTODRAW FALSE M END