Mol:LBGMGc--:18000SC01 2


27 26  0  0  0  0  0  0  0  0999 V2000 
  -6.8401    2.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0151    2.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8401    1.4984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8401    0.6734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8401   -0.1518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8401   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0151    0.6734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0151   -0.9768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3008   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.5867   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8726   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1583   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4442   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7299   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0158   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3017   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4126   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1267   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8410   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5551   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3008   -2.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2692   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9835   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6976   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4118   -0.9768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1260   -1.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8401   -0.9768    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 
 4  7  1  0 
 6  8  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 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 
18 19  1  0 
19 20  1  0 
 9 21  2  0 
20 22  1  0 
22 23  1  0 
23 24  1  0 
24 25  1  0 
25 26  1  0 
26 27  1  0 

S SKP 5 ID LBGMGc--:18000SC01:::02 FORMULA C23H46O4 EXACTMASS 386.33960995999996 AVERAGEMASS 386.60894 SMILES CCCCCCCCCCCCCCCCCC(=O)OCCC(O)CCO M END