Mol:LBF18108HO01


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   4.6894   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4040    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1185   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4040    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9747    0.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2603   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5458    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8313   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1194    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4074   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3046    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0166   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8416   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5561    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2706   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9825    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6945   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4065    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1185   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8305    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8305    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2706   -1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3046    1.0255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5561    1.0270    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  1  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  1  0 
 3 21  1  0 
15 22  2  0 
11 23  1  0 
14 24  1  0 

S SKP 6 ID LBF18108HO01 FORMULA C19H34O5 EXACTMASS 342.240624198 AVERAGEMASS 342.47026000000005 SMILES CCCCCC(=O)C(O)C=CC(O)CCCCCCCC(=O)OC AUTODRAW FALSE M END