Mol:FL5FACGS0002

From Metabolomics.JP
Revision as of 09:00, 14 March 2009 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL5FACGS0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -3.0310   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0310   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3297   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6285   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6285   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3297    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9273   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2261   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2261   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9273    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9273   -2.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4749    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1896   -0.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9043    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9043    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1896    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4749    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7319    0.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5909   -1.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8468   -1.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3581   -1.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2978   -1.5804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2431   -1.8489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7319   -1.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7922   -1.2711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1586   -1.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2169   -0.7587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7127   -0.1903    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6188    1.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3297   -2.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1896    2.2457    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 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
 19  8  1  0  0  0  0 
 23 22  1  1  0  0  0 
 15 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 16 31  1  0  0  0  0 
S  SKP  5 
ID	FL5FACGS0002 
FORMULA	C20H18O11 
EXACTMASS	434.084911418 
AVERAGEMASS	434.35032 
SMILES	C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox