Mol:FL5FAAGS0002

From Metabolomics.JP
Jump to: navigation, search

FL5FAAGS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -3.0515    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0515   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3503   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6491   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6491    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3503    0.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9479   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2467   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2467    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9479    0.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9479   -1.6551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4543    0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1689    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8836    0.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8836    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1689    1.8332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4543    1.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7525    0.5953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3503   -1.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5702   -1.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8674   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3787   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3184   -1.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2637   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7525   -0.6933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8128   -0.9616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2204   -0.8989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1597   -0.4579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7332    0.1358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5981    1.8331    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 
  3 19  1  0  0  0  0 
 21 22  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 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 22 20  1  0  0  0  0 
 20  8  1  0  0  0  0 
 15 30  1  0  0  0  0 
S  SKP  5 
ID	FL5FAAGS0002 
FORMULA	C20H18O10 
EXACTMASS	418.089996796 
AVERAGEMASS	418.35092 
SMILES	O(c32)C(c(c4)ccc(O)c4)=C(C(=O)c2c(cc(O)c3)O)OC(O1)C(O)C(C(O)C1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox