Mol:FL63ACGS0020

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -4.0353   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0353   -1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3209   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064   -1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6064   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3209    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920   -1.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775   -1.0402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1775   -0.2152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8920    0.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573   -0.2187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777    0.1973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9777    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573    1.4450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630    1.0291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6671    1.4272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7498    0.1973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4630   -1.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3209   -2.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7025    1.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3326    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    1.3481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597    1.1448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1298    1.7855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182    1.5823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2147    1.7911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9245    2.0614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7498    1.6904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2573    2.2757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5694    1.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5400   -0.1460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  1  0  0  0
  3 20  1  0  0  0  0
 21 22  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 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 17  1  0  0  0  0
 15 30  1  0  0  0  0
 31 32  1  0  0  0  0
 24 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1  CH2OH
M  SBV   1  35   -0.8097   -0.0881
S  SKP  5
ID	FL63ACGS0020
FORMULA	C21H24O11
EXACTMASS	452.13186161
AVERAGEMASS	452.40866
SMILES	c(c(O)4)c(c(c(c4)1)CC(C(c(c3)cc(O)c(c3)OC(O2)C(O)C(O)C(O)C2CO)O1)O)O
M  END

</pre>