Mol:LBF232nnPG04

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

31 32  0  0  0  0  0  0  0  0999 V2000 
  -1.5446    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2566    1.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9972    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9972    0.5264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7819    0.2715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2668    0.9389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.7819    1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2541    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5422    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8302    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7196    1.3514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0052    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7068    1.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4188    1.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1308    1.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8428    1.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1308    0.6672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1182    0.4964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5938    0.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5864   -0.7383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3027   -1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3027   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5864   -2.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1299   -1.9726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1299   -1.1476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0359   -0.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0359    2.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8302   -0.7368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5548    1.3528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5548    0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2668    1.7639    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 
20 19  1  0 
20 21  2  0 
21 22  1  0 
22 23  2  0 
23 24  1  0 
24 25  2  0 
25 20  1  0 
 5 26  1  6 
 7 27  1  6 
10 28  1  6 
16 29  1  0 
29 30  1  0 
29 31  1  0 

S SKP 6 ID LBF232nnPG04 FORMULA C26H38O5 EXACTMASS 430.271924326 AVERAGEMASS 430.57692 SMILES [C@@H](C2)(O)[C@@H]([C@H]([C@@H](O)2)CC=CCCCC(=O)OC(C)C)C=C[C@@H](O)CCc(c1)cccc1 AUTODRAW FALSE M END