Mol:FL5FFCGS0001

From Metabolomics.JP
Jump to: navigation, search

FL5FFCGS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.7583   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7583   -1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0836   -2.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4088   -1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4088   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0836   -0.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2658   -2.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9406   -1.6126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9406   -0.8334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2658   -0.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6149   -0.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3299   -0.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0450   -0.4440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0450    0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3299    0.7943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6149    0.3816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0836   -2.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4277   -0.4470    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2658   -2.7803    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7594    0.7941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1415    2.0635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6597    1.2290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7274    1.4732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7967    1.2238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2785    2.0585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2109    1.8142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7594    1.9084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5011    1.4067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8544    2.4641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0814    0.3269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6149   -2.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2703    2.7807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3299    1.6193    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 
  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 
  3 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  7 19  2  0  0  0  0 
 14 20  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 22 28  1  0  0  0  0 
 26 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 30  6  1  0  0  0  0 
  8 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 15 33  1  0  0  0  0 
S  SKP  5 
ID	FL5FFCGS0001 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	c(O)(c4)c(c(c(c4O)2)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)OC(O1)C(O)C(O)C(O)C(C)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox