Mol:FLIA3AGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 42 46  0  0  0  0  0  0  0  0999 V2000
   -2.3746    1.0144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    0.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328    1.0144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122    0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2122   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -0.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826   -0.2647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2826    0.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353    1.0298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6534   -0.2338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328   -0.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5353   -1.5586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294   -0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0294   -1.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440   -1.9333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584   -1.5209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4584   -0.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440   -0.2833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8122    1.0596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3634    0.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7173    0.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0440    0.7113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5469    1.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2070    0.9416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3123    1.0179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1879    0.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9540    0.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0787   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4160   -1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7674   -0.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1148   -1.0579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7774   -0.4736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4261   -0.6589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8556   -0.5251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0990   -0.8552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2531   -1.4500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0900   -1.6725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328    1.8464    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1901   -1.9433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3123   -2.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7199    1.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8927    2.5912    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 28  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
 31 37  1  0  0  0  0
 32 27  1  0  0  0  0
 22  1  1  0  0  0  0
  3 38  1  0  0  0  0
 39 40  1  0  0  0  0
 16 39  1  0  0  0  0
 41 42  1  0  0  0  0
 24 41  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  OCH3
M  SBV   1  44   -0.7317    0.4224
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  46
M  SMT   2 ^ CH2OH
M  SBV   2  46    0.5129   -0.6521
S  SKP  5
ID	FLIA3AGS0001
FORMULA	C28H32O14
EXACTMASS	592.179205732
AVERAGEMASS	592.54528
SMILES	C(C(O)2)(CO)OC(Oc(c5O)ccc(c45)C(C(=CO4)c(c3)ccc(c3)OC)=O)C(C2O)OC(C1O)OC(C)C(C1O)O
M  END

</pre>