Mol:FL5FAGGS0034

From Metabolomics.JP
Jump to: navigation, search

FL5FAGGS0034.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 39 42  0  0  0  0  0  0  0  0999 V2000 
    1.7862    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717    2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    2.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5006    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572    1.3676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0717    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3572    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862    1.3676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5006    0.1301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3572   -0.9894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2151    1.3676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0717   -0.2824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7862   -0.9734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2151    2.6051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7862    3.4301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1786    0.9762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4561   -1.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8688   -2.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0753   -1.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7230   -1.9860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1358   -1.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3422   -1.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5309   -2.4405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3431   -1.7103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0669   -1.3717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7406   -2.7391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5295   -3.1283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1426   -3.4196    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0398   -3.4301    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1148   -1.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5364   -1.1079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5133   -2.3111    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 
  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 
  6 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 28 27  1  1  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 26 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
 24 32  1  0  0  0  0 
 33 27  1  0  0  0  0 
 28 19  1  0  0  0  0 
 30 34  1  0  0  0  0 
 34 35  2  0  0  0  0 
 34 36  1  0  0  0  0 
 31 37  1  0  0  0  0 
 37 38  2  0  0  0  0 
 37 39  1  0  0  0  0 
S  SKP  5 
ID	FL5FAGGS0034 
FORMULA	C25H24O14 
EXACTMASS	548.116605476 
AVERAGEMASS	548.44966 
SMILES	CC(=O)OC(C4OC(C)=O)C(C)OC(C4O)OC(C1=O)=C(c(c3)cc(c(c(O)3)O)O)Oc(c2)c1c(O)cc2O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox