Mol:LBF18304HP02


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   4.8036   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5183   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.2328   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5183    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0890   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3745   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6601   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9456   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2336   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5216   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1904   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9024   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7274   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4418   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2668   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9813   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8063   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5208   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.2328   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9448   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.9448   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5208    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.8063    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1904    0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5241    0.8236    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  1  0 
 8  9  1  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  2  0 
13 14  1  0 
14 15  2  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
 3 21  1  0 
18 22  1  0 
22 23  1  0 
11 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18304HP02 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES COC(=O)CCCCCCCC(OO)C=CC=CC=CC(CC)OO AUTODRAW FALSE M END