Mol:LBF22408AM05


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

29 28  0  0  0  0  0  0  0  0999 V2000 
   1.0675   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7822    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4966   -0.0096    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7822    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3528    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3616   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0736    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8986    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6131   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3276    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1526    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6400   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.1239   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2989   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5845   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8700   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0450   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3946   -0.7005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3839   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0959   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8079   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5199   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2319   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9439   -0.8168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0650   -0.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7010   -0.1836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2111    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9255   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.6400    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 2  4  2  0 
 1  5  1  0 
 5  6  1  0 
 6  7  1  0 
 7  8  2  0 
 8  9  1  0 
 9 10  1  0 
10 11  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
22 23  1  0 
23 24  1  0 
18 25  1  0 
18 26  1  0 
 3 27  1  0 
27 28  1  0 
28 29  1  0 

S SKP 6 ID LBF22408AM05 FORMULA C27H47NO EXACTMASS 401.365765131 AVERAGEMASS 401.66821999999996 SMILES C(=O)(NCCC)CCCC=CCC=CCC=CCC=CC(C)(C)CCCCCC AUTODRAW FALSE M END