Mol:FL5FAAGL0077

From Metabolomics.JP
Jump to: navigation, search

FL5FAAGL0077.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 60 65  0  0  0  0  0  0  0  0999 V2000 
   -4.4916    3.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4916    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7771    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0627    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0627    3.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7771    3.5340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3482    1.8840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6338    2.2966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6338    3.1215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3482    3.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3482    1.2407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7341    3.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0059    3.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7223    3.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7223    4.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0059    4.9541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7341    4.5336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7771    1.0594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7415    5.0207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1272    3.5340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6104    1.4939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4938   -3.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0318   -4.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4122   -3.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8713   -4.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7249   -4.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0987   -3.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8462   -3.7261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2199   -4.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8462   -5.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0987   -5.0207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9669   -4.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2736    0.1944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6198    0.7102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3363   -0.2817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6198   -1.2796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2736   -1.7953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0097   -0.8035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0170    1.1524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7405   -1.2344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0395   -2.3567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6960   -2.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0087   -3.0931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7683    1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2068    2.4382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6257   -0.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4206    0.0421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2160   -1.0641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6694   -3.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3866   -2.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6694   -3.5920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5536    1.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0310    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6922    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0984    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9106    2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3167    2.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9106    3.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0984    3.4069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1272    2.7034    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 
  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 
  3 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
 20  1  1  0  0  0  0 
 21  8  1  0  0  0  0 
 22 23  2  0  0  0  0 
 22 24  1  0  0  0  0 
 24 25  2  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 28 29  2  0  0  0  0 
 29 30  1  0  0  0  0 
 30 31  2  0  0  0  0 
 31 26  1  0  0  0  0 
 29 32  1  0  0  0  0 
 33 34  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 33  1  0  0  0  0 
 33 39  1  0  0  0  0 
 38 40  1  0  0  0  0 
 37 41  1  0  0  0  0 
 36 42  1  0  0  0  0 
 34 21  1  0  0  0  0 
 22 43  1  0  0  0  0 
 43 42  1  0  0  0  0 
  4  3  1  0  0  0  0 
 39 44  1  0  0  0  0 
 44 45  2  0  0  0  0 
 40 46  1  0  0  0  0 
 46 47  1  0  0  0  0 
 46 48  2  0  0  0  0 
 41 49  1  0  0  0  0 
 49 50  1  0  0  0  0 
 49 51  2  0  0  0  0 
 44 52  1  0  0  0  0 
 52 53  2  0  0  0  0 
 53 54  1  0  0  0  0 
 54 55  2  0  0  0  0 
 55 56  1  0  0  0  0 
 56 57  2  0  0  0  0 
 57 58  1  0  0  0  0 
 58 59  2  0  0  0  0 
 59 54  1  0  0  0  0 
 57 60  1  0  0  0  0 
S  SKP  5 
ID	FL5FAAGL0077 
FORMULA	C43H36O17 
EXACTMASS	824.1952497259999 
AVERAGEMASS	824.7357400000001 
SMILES	C(OCC(C6OC(C)=O)OC(C(C(OC(C)=O)6)OC(=O)C=Cc(c5)ccc(O)c5)OC(C3=O)=C(Oc(c4)c3c(O)cc4O)c(c2)ccc(O)c2)(=O)C=Cc(c1)ccc(c1)O 
M  END
Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox