Mol:LBF18304HP04


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

25 24  0  0  0  0  0  0  0  0999 V2000 
   4.6906   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4053    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1197   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4053    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9760    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2615   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5471    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8326   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1206    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4086   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3034    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0154   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7274    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4394   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2644   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9788    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6933   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4078    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1198   -0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8318    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8318    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0154   -1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3009   -1.4423    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4078    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6933    1.4423    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  2  0 
11 12  1  0 
12 13  1  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 
12 22  1  0 
22 23  1  0 
18 24  1  0 
24 25  1  0 

S SKP 6 ID LBF18304HP04 FORMULA C19H32O6 EXACTMASS 356.219888756 AVERAGEMASS 356.45378 SMILES COC(=O)CCCCCCC=CC(OO)CC=CC=CC(CC)OO AUTODRAW FALSE M END