Mol:FL4DAAGS0008

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 30 33  0  0  0  0  0  0  0  0999 V2000 
   -4.1821   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4678   -1.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7536   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7536   -0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4678    0.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1821   -0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0393   -1.4561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3252   -1.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3252   -0.2190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0393    0.1935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0393   -2.1745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5303    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1948   -0.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9198    0.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9198    1.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1948    1.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5303    1.0288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.9133    0.2032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6830   -1.8344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6448    1.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4678   -2.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7240    2.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3115    1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.1047    1.5784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9027    1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3153    2.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5220    1.8395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0843    2.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0356    2.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9133    1.9466    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  3  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 
  6 18  1  0  0  0  0 
  8 19  1  1  0  0  0 
 15 20  1  0  0  0  0 
  2 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 
 27 29  1  0  0  0  0 
 26 30  1  0  0  0  0 
 23 20  1  0  0  0  0 
S  SKP  5 
ID	FL4DAAGS0008 
FORMULA	C20H20O10 
EXACTMASS	420.10564686 
AVERAGEMASS	420.3668 
SMILES	c(c3)(ccc(OC(O4)C(O)C(C(O)C4)O)c3)C(C2O)Oc(c1)c(C2=O)c(cc(O)1)O 
M  END