Mol:FL5FFCGS0004

From Metabolomics.JP
Jump to: navigation, search

FL5FFCGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -1.4062   -0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4062   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6918   -1.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0226   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0226   -0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6918   -0.1044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7370   -1.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4515   -1.3419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4515   -0.5169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7370   -0.1044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7370   -2.3975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1656   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8938   -0.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6220   -0.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6220    0.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8938    1.1566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1656    0.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1204   -0.1045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6918   -2.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1656   -1.7541    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8938    1.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3721    1.1457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6918    0.7202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6919    0.2274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8852   -0.2384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1411    0.6573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8852    1.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6919    2.0244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4360    1.1286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4027    2.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9044    2.2829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1810    1.7136    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3721    0.2290    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 
  8 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  1  1  0  0  0 
 29 24  1  1  0  0  0 
 28 30  1  0  0  0  0 
 27 31  1  0  0  0  0 
 29 32  1  0  0  0  0 
 24 33  1  0  0  0  0 
 25 18  1  0  0  0  0 
S  SKP  5 
ID	FL5FFCGS0004 
FORMULA	C21H20O12 
EXACTMASS	464.095476104 
AVERAGEMASS	464.37629999999996 
SMILES	c(c23)(OC(c(c4)cc(c(O)c4)O)=C(C3=O)O)c(c(cc2O)OC(O1)C(O)C(O)C(O)C(C)1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox