Mol:LBF22209PG13

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

27 27  0  0  0  0  0  0  0  0999 V2000 
  -1.5262    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2407    0.9786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9836    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9836   -0.2617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7710   -0.5176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2575    0.1522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7710    0.8219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1601   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4457   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7312   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6983    0.5662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0184    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7330    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4472    0.9801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1616    0.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8760    0.9801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1616   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0169   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6976   -0.7816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4119   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1237   -0.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8357   -0.3691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7312   -1.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0258    1.6066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5466   -0.7796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0267   -1.3048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2575   -0.3693    0.0000 C   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 
 7 24  1  6 
22 25  1  0 
 5 26  1  6 
25 27  1  0 

S SKP 6 ID LBF22209PG13 FORMULA C22H38O5 EXACTMASS 382.271924326 AVERAGEMASS 382.53412000000003 SMILES C(CC[C@@H](C=C[C@H]([C@H]1CC=CCCCC(O)=O)[C@@H](C[C@H](O)1)O)O)CCCC AUTODRAW FALSE M END