Mol:LBF20403SC01

Revision as of 06:45, 2 February 2011 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

22 21  0  0  0  0  0  0  0  0999 V2000 
   2.0698   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7845    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4989   -0.0096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7845    1.2279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3552    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6407   -0.0096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0713    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8963    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6108   -0.0111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3253    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1503    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6377   -0.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1216   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2966   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5822   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8677   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0427   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6718   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3863   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2113   -1.2279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9257   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6377   -1.2264    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  2  0 
11 12  1  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  1  0 
16 17  2  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
20 21  1  0 
21 22  1  0 

S SKP 6 ID LBF20403SC01 FORMULA C20H32O2 EXACTMASS 304.240230268 AVERAGEMASS 304.46688 SMILES C(CC=CCC=CCC=CCCCCCCC(O)=O)=CCC AUTODRAW FALSE M END