Mol:LBF18106HO03


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   5.0466   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7613    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.4757   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.7613    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3320    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6175   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9031    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1886   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4766    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7646   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0526    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.3714    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.0834   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.9084   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6228    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3373   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.0518    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.7638   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.4757    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.0526    1.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6594   -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  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
11 21  1  0 
12 22  2  0 

S SKP 6 ID LBF18106HO03 FORMULA C18H32O4 EXACTMASS 312.23005951199997 AVERAGEMASS 312.44428 SMILES CCCCCC=CCC(=O)C(O)CCCCCCCC(O)=O AUTODRAW FALSE M END