Mol:LBF18108HP04

(Redirected from Mol:LBF182nnHP01)


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

25 26  0  0  0  0  0  0  0  0999 V2000 
  -3.1799    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8919    0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6766    1.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1614    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6766   -0.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.8919    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3549    1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6406    0.8243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9286    1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2141    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5004    1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2148    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9292    1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6437    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3581    1.2353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0726    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7871    1.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0726    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5015    1.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5015   -0.2543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6406   -0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9261   -0.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5015    0.8228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1774   -0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1774   -1.2368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  2  1  0 
 1  7  2  0 
 7  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 
16 18  2  0 
 3 19  1  0 
 5 20  1  0 
19 20  1  0 
 8 21  1  0 
21 22  1  0 
17 23  1  0 
 6 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18108HP04 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES C(C2CC)(O1)CC(C2C=CC(OO)CCCCCCCC(=O)OC)O1 AUTODRAW FALSE M END