Mol:LBF20406HO21


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   2.9119    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6266    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3410    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6266    1.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1973    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4828    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7708    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0542    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7687   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4831    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1976   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9121    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6266   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6266   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9121   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1976   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3726   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6581   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0538   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7658   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4778   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1898   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3410   -1.2382    0.0000 O   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  2  0 
13 14  1  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 
14 23  1  6 

S SKP 6 ID LBF20406HO21 FORMULA C20H32O3 EXACTMASS 320.23514489 AVERAGEMASS 320.46628 SMILES C(CC=CC[C@@H](C=CC=CCC=CCCCC(O)=O)O)CCC AUTODRAW FALSE M END