Mol:LBF20303TX02

Revision as of 03:22, 29 October 2010 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

26 26  0  0  0  0  0  0  0  0999 V2000 
  -1.9536    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.9536   -0.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6681   -0.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3826   -0.3574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3826    0.4677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6681    0.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0126    0.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2981    0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.5269    0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2415    0.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9561    0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6705    0.9646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3851    0.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.2416   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.5295   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1825   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.8946   -0.4719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.6066   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.4317   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.1462   -0.4704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8607   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0971    0.9632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3851   -0.0809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.1825   -1.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6681    1.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0971   -0.7699    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 6  1  1  0 
 1  7  1  6 
 7  8  1  0 
 8  9  2  0 
 9 10  1  0 
10 11  1  0 
11 12  1  0 
12 13  1  0 
 2 14  1  1 
14 15  2  0 
15 16  1  0 
16 17  1  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
20 21  1  0 
13 22  1  0 
13 23  2  0 
16 24  1  6 
 6 25  1  6 
 4 26  1  0 

S SKP 6 ID LBF20403TX02 FORMULA C20H32O6 EXACTMASS 368.219888756 AVERAGEMASS 368.46448 SMILES C(=CC[C@@H](O)C=C[C@@H](O1)[C@H]([C@H](CC1O)O)CC=CCCCC(O)=O)CC AUTODRAW FALSE M END