Mol:LBF18107HO05

Revision as of 07:45, 26 October 2010 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

24 23  0  0  0  0  0  0  0  0999 V2000 
   4.7044   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4214    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.1384   -0.2077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4214    1.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9872    0.2063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.2703   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.5534    0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8364   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.1219    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4075   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3070    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0214   -0.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.7358    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5636    0.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2806   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9951    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7095   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4240    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1385   -0.2091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.8529    0.2034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3070    1.0297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2806   -1.0341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0214   -1.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   6.8529    0.2047    0.0000 C   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  2  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 
11 21  2  0 
15 22  1  0 
12 23  1  0 
 3 24  1  0 

S SKP 6 ID LBF18107HO05 FORMULA C19H34O5 EXACTMASS 342.240624198 AVERAGEMASS 342.47026000000005 SMILES CCCCCC(O)C=CC(O)C(=O)CCCCCCCC(=O)OC AUTODRAW FALSE M END