Mol:LBF18302HP03


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   4.8049   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5195   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.2340   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5195    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0902   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3758   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6613   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9468   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2348   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5229   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1891   -0.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9011   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7261   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4406   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2656   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9801   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6945   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4065   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.2315   -0.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9460   -0.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.9460   -0.4140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.1891    0.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5253    0.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6945    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9801    0.8250    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  1  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
 3 21  1  0 
11 22  1  0 
22 23  1  0 
17 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18302HP03 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES CC=CC(OO)CC=CC=CC(OO)CCCCCCCC(=O)OC AUTODRAW FALSE M END