Mol:FL3FADGS0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 44 48  0  0  0  0  0  0  0  0999 V2000
   -2.6822   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6822   -1.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -1.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239   -1.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4239   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -0.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950   -1.5356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1659   -1.1725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1659   -0.4460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950   -0.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5555   -2.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041   -0.4531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452   -0.0830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7452    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1041    1.0276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4630    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0531   -2.2604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4798    0.9667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3099   -0.0835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4135   -2.1051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6945   -3.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6590   -2.6516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6597   -2.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3858   -1.9146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4436   -2.2945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9480   -2.4263    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3604   -3.0072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803   -3.0729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8631    0.8465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9266    0.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9756    0.0435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7329   -0.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6693   -0.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6204    0.0664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1889    1.2806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2807    0.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9354   -0.7508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3727   -1.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9480   -2.1434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4246    1.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664    3.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0854   -1.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6608   -0.8037    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
  3 18  1  0  0  0  0
 19 15  1  0  0  0  0
  1 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 18  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  0  0  0  0
 35 37  1  0  0  0  0
 34 38  1  0  0  0  0
 19 31  1  0  0  0  0
 39 40  1  0  0  0  0
 33 39  1  0  0  0  0
 41 42  1  0  0  0  0
 16 41  1  0  0  0  0
 43 44  1  0  0  0  0
 26 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  44
M  SMT   1  CH2OH
M  SBV   1  44   -0.6399    0.4101
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  46
M  SMT   2  OCH3
M  SBV   2  46   -0.3205   -0.7602
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  48
M  SMT   3 ^ CH2OH
M  SBV   3  48    0.6418   -0.4943
S  SKP  5
ID	FL3FADGS0013
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	C(C(CO)1)(O)C(C(O)C(Oc(c32)cc(cc2OC(c(c5)ccc(c(OC)5)OC(C(O)4)OC(C(C4O)O)CO)=CC(=O)3)O)O1)O
M  END

</pre>