Mol:FL3FEAGS0002

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL3FEAGS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.1322    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1322   -0.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5689   -0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2703   -0.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2703    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5689    0.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9716   -0.9593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6728   -0.5545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6728    0.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9716    0.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9716   -1.5906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3737    0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0886    0.2472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8033    0.6598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8033    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0886    1.8979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3737    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8332    0.6598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.5178    1.8977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5689   -1.5911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9337   -0.7949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8234   -0.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0216   -1.8127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8673   -1.3636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7535   -1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5629   -0.5421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5727   -1.0751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5178   -1.1298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8766   -1.7731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9983   -1.8979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
  2 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 21  1  0  0  0  0 
S  SKP  5 
ID	FL3FEAGS0002 
FORMULA	C20H18O10 
EXACTMASS	418.089996796 
AVERAGEMASS	418.35092 
SMILES	C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)ccc(O)c2 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox