Mol:LBGDGcc-:14000SC01:14000SC01 2

Revision as of 01:39, 20 January 2010 by Editor (talk | contribs) (Mol:LBGDGcc-:14000SC01:14000SC01::02 moved to Mol:LBGDGcc-:14000SC01:14000SC01 2)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


40 38  0  0  0  0  0  0  0  0999 V2000 
  -5.0229    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1979    1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0229    0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0229   -0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0229   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0229   -1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2342    0.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4836    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.7695    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.4836    0.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1979   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0554    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3411    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6270    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0872    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8014    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.5155    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2297    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5200   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8059    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0917   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3775    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6634   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0509    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7650   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4791    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1934   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9075    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6218   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3359    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.0500   -0.4071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7643    0.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5200   -1.2321    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.8479   -0.0544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2770    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9911    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.7053    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.4195    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1336    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.8479    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 1  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 2  8  1  0 
 8  9  1  0 
 8 10  2  0 
 6 11  1  0 
 9 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
 7 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 
27 28  1  0 
28 29  1  0 
29 30  1  0 
30 31  1  0 
31 32  1  0 
19 33  2  0 
 4  7  1  6 
 4 34  1  6 
35 36  1  0 
36 37  1  0 
37 38  1  0 
38 39  1  0 
39 40  1  0 

S SKP 5 ID LBGDGcc-:14000SC01:14000SC01::02 FORMULA C34H68O5 EXACTMASS 556.506675286 AVERAGEMASS 556.90072 SMILES C(CCCC(=O)OC(CCO)(CCOC(CCCCCCCC)=O)[H])CCCCCCCCC M END