Mol:FL3FBBCS0001

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FL3FBBCS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
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    3.1791    1.6855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0968    1.1557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7030   -1.8725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7853   -2.4023    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
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
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 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  9 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18 19  1  1  0  0  0
 19 20  1  1  0  0  0
 21 20  1  1  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 18  1  0  0  0  0
 18 24  1  0  0  0  0
 19 25  1  0  0  0  0
 22 26  1  0  0  0  0
 23 27  1  0  0  0  0
  6 21  1  0  0  0  0
  1 28  1  0  0  0  0
 29 30  1  0  0  0  0
 14 29  1  0  0  0  0
 31 32  1  0  0  0  0
  3 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  33
M  SMT   1 OCH3
M  SBV   1  33   -0.6790   -0.3920
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  35
M  SMT   2 OCH3
M  SBV   2  35   -0.0184    0.7025
S  SKP  5
ID	FL3FBBCS0001
FORMULA	C23H24O9
EXACTMASS	444.14203236599997
AVERAGEMASS	444.43126
SMILES	c(c1)c(ccc1C(=C4)Oc(c3C4=O)c(c(cc3OC)O)C(C2O)OC(C)C(C2O)O)OC
M  END

</pre>

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