Mol:FL3FEAGS0046

From Metabolomics.JP
Jump to: navigation, search

FL3FEAGS0046.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -1.2279    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2279   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5135   -1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2010   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2010    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5135    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9155   -1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6299   -0.6279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6299    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9155    0.6096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3444    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0589    0.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7734    0.6096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7734    1.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0589    1.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3444    1.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9155   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5135   -1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5196    1.8654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9476    0.5440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9149   -1.0245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6251   -0.6145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5188    1.1949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3303    1.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6429    0.5885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2840   -0.1547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4724   -0.0050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1599    0.4517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7135   -0.5384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4503    0.5575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5196    1.7516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9770    1.5738    0.0000 C   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 
  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 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
  7 17  2  0  0  0  0 
  3 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20  1  1  0  0  0  0 
  2 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
 28 23  1  0  0  0  0 
 26 29  1  0  0  0  0 
 25 30  1  0  0  0  0 
 24 31  1  0  0  0  0 
 23 32  1  0  0  0  0 
 27 20  1  0  0  0  0 
S  SKP  5 
ID	FL3FEAGS0046 
FORMULA	C22H22O10 
EXACTMASS	446.121296924 
AVERAGEMASS	446.40408 
SMILES	COc(c3OC(O4)C(C(C(O)C4C)O)O)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox