Mol:FL5FAAGS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -1.7697    1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7697    0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0681    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3666    0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3666    1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0681    1.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3349    0.2167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0365    0.6216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0365    1.4317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3349    1.8368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3349   -0.4150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7378    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4528    1.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1678    1.8366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1678    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4528    3.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7378    2.6621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0681   -0.5932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4710    1.8366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8826    3.0749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5813    0.1264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7841   -1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2729   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3329   -1.9814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3871   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8981   -1.4033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8383   -1.6719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6080   -1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8826   -2.0867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7821   -2.7595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3871   -3.0750    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 
  3 18  1  0  0  0  0 
  1 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  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 31  1  0  0  0  0 
 26 18  1  0  0  0  0 
S  SKP  5 
ID	FL5FAAGS0009 
FORMULA	C21H20O10 
EXACTMASS	432.10564686 
AVERAGEMASS	432.37749999999994 
SMILES	c(c4)c(ccc(O)4)C(=C3O)Oc(c(C3=O)1)cc(O)cc1OC(O2)C(O)C(O)C(O)C(C)2 
M  END