Mol:LBF20107PG25

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

26 26  0  0  0  0  0  0  0  0999 V2000 
   2.0091    0.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7238    0.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4382    0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7238    1.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2945    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 
  -1.5609    0.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2157    0.4232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0003    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4852    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0003   -0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2157   -0.4018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5012   -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 
   1.3492   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.0612   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7732   -0.9559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4852   -0.5449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2552    1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0747   -1.7752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2543   -1.4386    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  2  0 
13 25  1  6 
 8 26  2  0 

S SKP 6 ID LBF20107PG25 FORMULA C20H34O6 EXACTMASS 370.23553882 AVERAGEMASS 370.48036 SMILES C(CCC(=O)CC[C@H]([C@@H](CC(=O)CCCCC(O)=O)1)[C@@H](C[C@@H]1O)O)CC AUTODRAW FALSE M END