Mol:FL5FAGGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
   -3.3600   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3600   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6588   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9576   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9576   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6588    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2563   -1.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5551   -1.0315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5551   -0.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2563    0.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2563   -2.0676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1458    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8605   -0.2297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5751    0.1829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5751    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8605    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1458    1.0082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0610    0.1829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2618   -1.7251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5795   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0910   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0305   -1.6835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9759   -1.9520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4647   -1.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5249   -1.3742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7881   -1.2701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9697   -0.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0610   -1.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2897    1.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6588   -2.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8605    2.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2897   -0.2297    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 
 14 32  1  0  0  0  0 
S  SKP  5 
ID	FL5FAGGS0003 
FORMULA	C20H18O12 
EXACTMASS	450.07982604 
AVERAGEMASS	450.34972 
SMILES	C(=C3OC(O4)C(O)C(C(O)C4)O)(Oc(c2)c(C3=O)c(cc(O)2)O)c(c1)cc(O)c(O)c(O)1 
M  END