Mol:LBF20503HO08

Revision as of 08:35, 3 February 2011 by Editor (talk | contribs)
(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)


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

23 22  0  0  0  0  0  0  0  0999 V2000 
   2.0686    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7832    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4977    0.4029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7832    1.6404    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3539    0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6395    0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0725    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8975    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.6120    0.4014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.3265    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1515    0.8139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.6390   -0.0168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.1229   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.2979   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.5834   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.8689   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0439   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6705   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.3850   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2100   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.9245   -0.4029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.6390   -0.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.0439   -1.6404    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  2  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  2  0 
16 17  1  0 
17 18  1  0 
18 19  1  0 
19 20  2  0 
20 21  1  0 
21 22  1  0 
17 23  1  6 

S SKP 6 ID LBF20503HO08 FORMULA C20H30O3 EXACTMASS 318.21949482599996 AVERAGEMASS 318.4504 SMILES C(=CCC(C=CC=CCC=CCC=CCCCC(O)=O)O)CC AUTODRAW FALSE M END