Mol:LBF20503HO01


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   2.5547    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2693    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9838    0.0007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2693    1.2382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8400    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1256    0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4136    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.4114    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.1259   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8404    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693    0.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9838   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9838   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2693   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5548   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7298   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0154   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3009   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5241   -0.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2386   -1.2382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9506   -0.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8404    1.2368    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  1  0 
11 12  2  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  2  0 
20 21  1  0 
21 22  1  0 
10 23  1  6 

S SKP 6 ID LBF20503HO01 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(CC=CCC=CC=C[C@@H](CC=CCCCC(O)=O)O)=CCC AUTODRAW FALSE M END