Mol:FL63ACGS0015

From Metabolomics.JP
Jump to: navigation, search

FL63ACGS0015.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -0.8623   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8623   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1478   -1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5666   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5666   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1478    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2811   -1.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9955   -1.0401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9955   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2811    0.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7100    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4304   -0.2186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1508    0.1974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1508    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4304    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7100    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.8401    1.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1478   -2.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5767    0.1974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7100   -1.4526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4304    2.2756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2167    0.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7047   -0.4847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9675   -0.1981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2562   -0.1903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7732    0.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4181   -0.0137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8401   -0.0764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.3159   -0.5249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3774   -0.5593    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 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  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 
 17 14  1  0  0  0  0 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
  8 20  1  1  0  0  0 
 15 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  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 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 19  1  0  0  0  0 
S  SKP  5 
ID	FL63ACGS0015 
FORMULA	C20H22O10 
EXACTMASS	422.121296924 
AVERAGEMASS	422.38268000000005 
SMILES	c(c4)(cc(c(O)c4)O)C(O3)C(O)Cc(c13)c(cc(OC(O2)C(O)C(C(O)C2)O)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox