Mol:FL7AADGO0002

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FL7AADGO0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.4588    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4588   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0566    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577    0.6562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3555   -0.9630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456   -0.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3456    0.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3555    0.6562    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.0465    0.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    0.2435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756    0.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4756    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    1.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0465    1.4811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1196   -0.9413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1597    0.6560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0554    1.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7577   -1.7723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -2.5345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   -2.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4781   -2.1125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293   -1.2282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9375   -0.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1887   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9979   -3.3154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5383   -3.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0342   -2.5859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7610    2.5737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3173    3.7046    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  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  8  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  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 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 21  1  1  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 25 17  1  0  0  0  0
 31 32  1  0  0  0  0
 15 31  1  0  0  0  0
M  CHG  1  10   1
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1  OCH3
M  SBV   1  35    0.0000   -0.6800
S  SKP  5
ID	FL7AADGS0002
FORMULA	C22H23O10
EXACTMASS	447.129121956
AVERAGEMASS	447.41202
SMILES	O(c(c1)c(O)ccc1c([o+1]3)c(cc(c(O)4)c3cc(O)c4)OC(O2)C(C(C(O)C2C)O)O)C
M  END

</pre>

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