Mol:FL5FCEGS0001

From Metabolomics.JP
Jump to: navigation, search

FL5FCEGS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
    1.7862    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    2.3306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    1.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.6806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006   -0.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.5569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -1.2569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    1.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717   -0.5569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -1.2575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    2.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    3.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9284    0.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9284    1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4738   -2.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7102   -3.1345    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4738   -1.7658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0781   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8391   -2.2086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7102   -2.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1202   -1.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8391   -2.8988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2839   -3.1556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 10  1  0  0  0  0 
 14 18  1  0  0  0  0 
 11 17  2  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  5 21  1  0  0  0  0 
  4 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 21 24  1  0  0  0  0 
 30 25  1  1  0  0  0 
 29 25  1  1  0  0  0 
 28 30  1  1  0  0  0 
 30 26  1  0  0  0  0 
 31 28  1  0  0  0  0 
 29 31  1  0  0  0  0 
 25 27  1  0  0  0  0 
 29 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 19 28  1  0  0  0  0 
S  SKP  5 
ID	FL5FCEGS0001 
FORMULA	C22H22O11 
EXACTMASS	462.116211546 
AVERAGEMASS	462.40348000000006 
SMILES	Oc(c1)c(ccc1C(O3)=C(C(=O)c(c4O)c3cc(c4)OC)OC(C(O)2)OC(C2O)CO)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox