Mol:LBF16000HO10


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

21 20  0  0  0  0  0  0  0  0999 V2000 
   4.6304   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3451    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.0595   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.3451    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9158    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2013   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4868    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.7724   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0604    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3484   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7876    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.4996   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2116    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9236   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6355    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.3475   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.0595    0.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3636    1.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0756   -1.0298    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  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
11 20  1  0 
12 21  1  0 

S SKP 6 ID LBF16000HO10 FORMULA C16H32O5 EXACTMASS 304.224974134 AVERAGEMASS 304.42228 SMILES OCCCCCCC(O)C(O)CCCCCCCC(O)=O AUTODRAW FALSE M END