Mol:FL7AAAGO0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 32  0  0  0  0  0  0  0  0999 V2000 
   -2.9778    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9778   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2765   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5752   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5752    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2765    0.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8740   -1.0239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1727   -0.6190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1727    0.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8740    0.5956    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0 
    0.5283    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2430    0.1828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9578    0.5954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9578    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2430    1.8333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5283    1.4207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6723    1.8332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6788    0.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2765   -1.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6200   -1.1091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7936   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3049   -1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2446   -1.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1899   -1.3153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6788   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7390   -0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1761   -0.5692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1066   -0.2130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6183    0.2628    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  2  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 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 11  1  0  0  0  0 
 14 17  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 21  1  0  0  0  0 
 21 27  1  0  0  0  0 
 26 28  1  0  0  0  0 
 25 29  1  0  0  0  0 
 22 20  1  0  0  0  0 
 20  8  1  0  0  0  0 
M  CHG  1  10   1 
S  SKP  5 
ID	FL7AAAGS0001 
FORMULA	C20H19O9 
EXACTMASS	403.10290720600005 
AVERAGEMASS	403.35946 
SMILES	c(c4)(ccc(O)c4)c(c(OC(O3)C(O)C(C(O)C3)O)1)[o+1]c(c2)c(c(cc(O)2)O)c1 
M  END