Mol:FL3FEAGS0016

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -0.5180   -0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5181   -0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -1.2411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8842   -0.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8843   -0.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    0.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853   -1.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2864   -0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -0.0266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853    0.3782    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5853   -2.0062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873    0.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7018   -0.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4165    0.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4164    1.2030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7019    1.6155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9874    1.2029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2190    0.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1308    1.6156    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831   -1.9863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3805    0.9946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8961    0.0498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9245    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0454    0.0979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5706    0.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5581    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0951    0.8339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6606    0.3185    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263   -0.4359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1205    1.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1308    1.5589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4610    2.1667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1673   -1.2110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3930   -2.1667    0.0000 C   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
 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  2  0  0  0  0
 30 32  1  0  0  0  0
 26 30  1  0  0  0  0
 33 34  1  0  0  0  0
  2 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  30  31  32
M  SBL   1  1  35
M  SMT   1 ^ COOH
M  SBV   1  35    0.5624   -0.7025
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  37
M  SMT   2 ^ OCH3
M  SBV   2  37    0.6492    0.3748
S  SKP  5
ID	FL3FEAGS0016
FORMULA	C22H20O12
EXACTMASS	476.095476104
AVERAGEMASS	476.387
SMILES	COc(c(OC(O4)C(O)C(C(O)C4C(O)=O)O)3)c(O)c(C(=O)1)c(c3)OC(c(c2)ccc(c2)O)=C1
M  END

</pre>