Mol:FL5FFCGSS002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 42  0  0  0  0  0  0  0  0999 V2000
   -2.3867   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3867   -1.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722   -2.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9577   -1.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9577   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722   -0.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -2.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -1.8853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4714   -1.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -0.6477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2431   -3.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3711   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994   -0.9094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276   -0.4889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8276    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994    0.7724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3711    0.3520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6722   -3.0453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6070    0.8020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402   -0.5675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0994    1.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9080   -2.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -2.6323    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -1.9056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3443   -2.6323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096   -3.3390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9773    2.2263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2840    1.4987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    1.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3720    0.4676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1958    1.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7706    1.4869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5123    2.7190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6070    2.1464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7313    0.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6688    0.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5972    2.2267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550    1.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9550    3.3390    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
  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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
  4  3  1  0  0  0  0
  1 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 23 26  2  0  0  0  0
 25  8  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  1  0  0  0
 30 29  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 27  1  0  0  0  0
 27 33  1  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 36  6  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 32 37  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  37  38  39
M  SBL   1  1  42
M  SMT   1  COOH
M  SBV   1  42   -0.1734   -0.7398
S  SKP  5
ID	FL5FFCGSS002
FORMULA	C21H18O17S
EXACTMASS	574.02646984
AVERAGEMASS	574.4234200000001
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c(O)3)c(c(c(c3)O)2)OC(=C(OS(O)(=O)=O)C2=O)c(c1)cc(c(O)c1)O)O)O
M  END

</pre>