Mol:FL5FECGS0069

From Metabolomics.JP
Jump to: navigation, search

FL5FECGS0069.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 39  0  0  0  0  0  0  0  0999 V2000 
    1.8110    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0966    1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0966    2.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8110    2.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5255    2.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5255    1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3821    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3324    1.5110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0468    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0468    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3324   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3821    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7613    1.5110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4758    1.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4758    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7613   -0.1391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3324   -0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1290    2.6844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7453    2.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9913   -0.0783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7613   -0.8147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4459   -1.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2604    1.3533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7453    0.6859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2604    0.0185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9943   -2.1164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1866   -2.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1897   -1.5508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8878   -1.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0799   -0.9416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2964   -1.6762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8767   -1.5776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5946   -2.7117    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1756   -2.7485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1905    1.1270    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 
 11 17  2  0  0  0  0 
  5 18  1  0  0  0  0 
 18 19  1  0  0  0  0 
 12 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 14 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 15  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 28  1  1  0  0  0 
 29 28  1  1  0  0  0 
 29 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 26  1  0  0  0  0 
 28 32  1  0  0  0  0 
 27 33  1  0  0  0  0 
 26 34  1  0  0  0  0 
 29 20  1  0  0  0  0 
  6 35  1  0  0  0  0 
S  SKP  5 
ID	FL5FECGS0069 
FORMULA	C23H22O12 
EXACTMASS	490.111126168 
AVERAGEMASS	490.41358 
SMILES	Oc(c1)c(ccc1C(=C4OC(C(O)5)OCC(C(O)5)O)Oc(c(C4=O)2)cc(O3)c(OC3)c2OC)OC 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox