Mol:FL3FEAGN0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
   -0.4698    1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4698    0.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446    0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    0.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9591    1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446    1.9906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735    0.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    0.7533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3880    1.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735    1.9906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6735   -0.4507    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020    1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302    1.5701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    1.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    2.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8302    3.2516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1020    2.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1839    1.9904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2862    3.2515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2446   -0.4961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772    0.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5558    2.0382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9024    1.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0061    1.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538    1.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7136    2.2113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5947    1.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2862    1.6163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7754    1.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1669    1.0828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1772   -0.5121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7658   -0.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4175   -0.5541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -1.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7947   -0.6568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4820   -1.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4820   -1.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7947   -2.2440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1074   -1.8472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0297   -2.1635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7947   -2.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7988   -3.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2035    2.4932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2488    2.4932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6789    3.4017    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
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  3  1  0  0  0  0
  2 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 24 30  1  0  0  0  0
 25 18  1  0  0  0  0
 21 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 35  1  0  0  0  0
 38 41  1  0  0  0  0
 42 43  1  0  0  0  0
 39 42  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 27 44  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  47
M  SMT   1 OCH3
M  SBV   1  47    0.0000    0.5829
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  44  45  46
M  SBL   2  1  50
M  SMT   2 ^COOH
M  SBV   2  50    0.6088   -0.6088
S  SKP  5
ID	FL3FEAGN0001
FORMULA	C31H26O15
EXACTMASS	638.127170162
AVERAGEMASS	638.52914
SMILES	Oc(c(OC(=O)C=Cc(c5)cc(OC)c(O)c5)3)c(C2=O)c(cc3OC(C4O)OC(C(C4O)O)C(O)=O)OC(=C2)c(c1)ccc(c1)O
M  END

</pre>