Mol:FL3FECGS0007

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -0.5502   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5502   -1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1510   -1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8521   -1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8521   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1510    0.1256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5531   -1.4935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2542   -1.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2542   -0.2793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5531    0.1256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5531   -2.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9550    0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6695   -0.2872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3840    0.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3840    0.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6695    1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9550    0.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6695    2.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.3013    1.4801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1510   -2.3014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2497    0.1247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2497   -1.4927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2674    0.2613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4659   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3118   -0.3477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1984   -0.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0075    0.4736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0171   -0.0592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1942    1.0600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.3013   -0.8175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6080   -0.9848    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 
 16 18  1  0  0  0  0 
 19 15  1  0  0  0  0 
  3 20  1  0  0  0  0 
  1 21  1  0  0  0  0 
  2 22  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 28  1  0  0  0  0 
 28 23  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 21  1  0  0  0  0 
S  SKP  5 
ID	FL3FECGS0007 
FORMULA	C20H18O11 
EXACTMASS	434.084911418 
AVERAGEMASS	434.35032 
SMILES	C(O1)(Oc(c2O)cc(O3)c(C(=O)C=C3c(c4)cc(c(O)c4)O)c2O)C(O)C(C(O)C1)O 
M  END