Mol:FL5FCEGI0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 49 53  0  0  0  0  0  0  0  0999 V2000 
    1.7853    1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0709    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0709    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7853    2.8665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4998    2.4540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4998    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3564    1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3581    1.6290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0726    1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0726    0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3581   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3564    0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7870    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5015    1.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5015    0.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7870   -0.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3581   -0.7280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1032    2.8024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9655    0.0398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7870   -0.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1702    1.6025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7870    2.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3903    2.7407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3903    3.4656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7270    3.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0773    3.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8077    2.3956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7853    3.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8077    1.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3704   -1.0481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7830   -1.7628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0105   -1.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8088   -1.7453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2215   -1.0306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4279   -1.2573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7850   -2.3621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4849   -2.1806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4236   -1.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0622   -1.1943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8743   -2.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2869   -3.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4934   -2.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6951   -3.1849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2824   -2.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0760   -2.6969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6997   -3.8622    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9269   -3.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7212   -3.0315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5675   -2.6119    0.0000 C   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 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 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 10  1  0  0  0  0 
 11 17  2  0  0  0  0 
  5 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 18 27  1  0  0  0  0 
  4 28  1  0  0  0  0 
 21 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
 31 32  1  1  0  0  0 
 33 32  1  1  0  0  0 
 34 33  1  1  0  0  0 
 34 35  1  0  0  0  0 
 35 30  1  0  0  0  0 
 33 36  1  0  0  0  0 
 32 37  1  0  0  0  0 
 31 38  1  0  0  0  0 
 30 39  1  0  0  0  0 
 40 41  1  0  0  0  0 
 41 42  1  1  0  0  0 
 43 42  1  1  0  0  0 
 44 43  1  1  0  0  0 
 44 45  1  0  0  0  0 
 45 40  1  0  0  0  0 
 43 46  1  0  0  0  0 
 42 47  1  0  0  0  0 
 41 48  1  0  0  0  0 
 40 49  1  0  0  0  0 
 34 19  1  0  0  0  0 
 44 38  1  0  0  0  0 
S  SKP  5 
ID	FL5FCEGI0001 
FORMULA	C34H42O15 
EXACTMASS	690.252370674 
AVERAGEMASS	690.68828 
SMILES	C(C5O)(O)C(OC(C5O)OC(C(C)4)C(O)C(O)C(O4)OC(=C2c(c3)ccc(OC)c3O)C(c(c1O)c(O2)c(c(c1)OC)CC=C(C)C)=O)C 
M  END