Mol:FL3FEAGS0004

From Metabolomics.JP
Jump to: navigation, search

FL3FEAGS0004.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.1262   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1262   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4250   -2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2761   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2761   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4250   -0.4789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9773   -2.0982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6785   -1.6934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6785   -0.8837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9773   -0.4789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9773   -2.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3795   -0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0940   -0.8916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8086   -0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8086    0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0940    0.7588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3795    0.3461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8271   -0.4790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.5231    0.7586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4250   -2.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8259   -2.0974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6582   -0.0463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6817   -0.6101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9915    0.4742    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6817    1.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6582    2.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3484    1.0445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2607    2.7298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6790    2.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1224    1.6703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5231   -0.0418    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 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
  2 21  1  0  0  0  0 
 23 22  1  1  0  0  0 
 23 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  1  0  0  0 
 27 22  1  1  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 27 30  1  0  0  0  0 
 22 31  1  0  0  0  0 
 23 18  1  0  0  0  0 
S  SKP  5 
ID	FL3FEAGS0004 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	C(=O)(C=3)c(c2O)c(OC3c(c4)ccc(O)c4)cc(c2O)OC(O1)C(O)C(O)C(O)C(C)1 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox