Mol:LBF20118BC01

Revision as of 07:34, 1 February 2011 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 
   2.1360    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.8506    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4213    0.4148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.7069    0.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0051    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.9891    0.0022    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.2771    1.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.7171    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4291    0.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1411    0.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8531    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5651    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2771    0.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891    0.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.9891   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.2746   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.5601   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.8456   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.1312   -0.8230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4167   -1.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.1360   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5651   -0.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  2  0 
 1  4  1  0 
 4  5  1  0 
 5  6  1  0 
 3  7  1  0 
 7  8  1  0 
 7  9  2  0 
 6 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 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 1 23  1  0 
 3 24  1  0 

S SKP 6 ID LBF20118BC01 FORMULA C22H42O2 EXACTMASS 338.318480588 AVERAGEMASS 338.56768000000005 SMILES CC(=CC(CCCCCCCCCCCCCCCC)C)C(O)=O AUTODRAW FALSE M END