Mol:FL5FCCDS0001

From Metabolomics.JP
Revision as of 12:31, 30 September 2009 by Editor (Talk | contribs)

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

FL5FCCDS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 44 48  0  0  0  0  0  0  0  0999 V2000 
    1.3281    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6137    1.7362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1008    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1008    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6137    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3281    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8153    1.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5297    1.3237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5297    0.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8153    0.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1755    1.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8153   -0.6533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6137   -0.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1099    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8244    1.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    1.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5388    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8244    3.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1099    2.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1540    2.9552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9651    0.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2355    1.3728    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8574    1.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2353    0.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0324    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3109    0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8944   -0.4364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0971   -0.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8186    0.1779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3858   -0.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1977    0.2618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2355    1.1867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8033    1.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4226   -2.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2381   -2.2387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3314   -1.4187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8295   -0.7607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0140   -0.8873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9206   -1.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3396   -1.9117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1156   -2.4255    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2876   -3.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8977   -2.7712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0532   -1.1512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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  1  0  0  0  0 
  6  1  2  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  4  1  0  0  0  0 
  8 11  1  0  0  0  0 
 10 12  1  0  0  0  0 
  5 13  2  0  0  0  0 
  1 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 18  1  0  0  0  0 
 18 19  2  0  0  0  0 
 19 14  1  0  0  0  0 
 17 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 16 22  1  0  0  0  0 
 11 23  1  0  0  0  0 
 24 25  1  0  0  0  0 
 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 28 27  1  1  0  0  0 
 28 29  1  0  0  0  0 
 29 24  1  0  0  0  0 
 27 30  1  0  0  0  0 
 26 31  1  0  0  0  0 
 25 32  1  0  0  0  0 
 24 33  1  0  0  0  0 
 28  9  1  0  0  0  0 
 34 35  1  1  0  0  0 
 35 36  1  1  0  0  0 
 37 36  1  1  0  0  0 
 37 38  1  0  0  0  0 
 38 39  1  0  0  0  0 
 39 34  1  0  0  0  0 
 39 40  1  0  0  0  0 
 40 41  1  0  0  0  0 
 34 42  1  0  0  0  0 
 35 43  1  0  0  0  0 
 36 44  1  0  0  0  0 
 37 21  1  0  0  0  0 
S  SKP  5 
ID	FL5FCCDS0001 
FORMULA	C28H32O16 
EXACTMASS	624.1690349759999 
AVERAGEMASS	624.54408 
SMILES	OC(C5CO)C(O)C(C(O5)OC(=C(c(c4)cc(c(O)c4)O)3)C(=O)c(c1O)c(O3)cc(OC)c1C(C2O)OC(C(C(O)2)O)C)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox