Mol:FL3FECGS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 34  0  0  0  0  0  0  0  0999 V2000 
   -0.2512   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2512   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4497   -1.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1508   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1508   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4497    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8520   -1.3081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5529   -0.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5529   -0.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8520    0.3108    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8520   -1.9393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2538    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9683   -0.1019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6829    0.3108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.6829    1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9683    1.5483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2538    1.1358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9683    2.4868    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.6002    1.6653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4497   -2.1160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9508    0.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9508   -1.3073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8706   -1.3643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0690   -2.4222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9150   -1.9735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8015   -1.9615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6107   -1.1520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7896   -1.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6002   -1.7800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8840   -2.4226    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1699   -2.4868    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 22  1  0  0  0  0 
S  SKP  5 
ID	FL3FECGS0003 
FORMULA	C20H18O11 
EXACTMASS	434.084911418 
AVERAGEMASS	434.35032 
SMILES	C(=O)(C=1)c(c3O)c(cc(O)c3OC(O4)C(O)C(C(O)C4)O)OC1c(c2)cc(c(O)c2)O 
M  END