Mol:FL3FAIDS0001

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FL3FAIDS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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  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
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  7 11  2  0  0  0  0
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 18 13  1  0  0  0  0
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  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  2  1  0  0  0  0
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 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
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 35 43  1  0  0  0  0
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 15 45  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 ^ CH2OH
M  SBV   1  44    0.6791   -0.4283
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  46
M  SMT   2  OCH3
M  SBV   2  46    0.0000   -0.7822
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  48
M  SMT   3 ^ CH2OH
M  SBV   3  48    0.5964   -0.6402
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  45  46
M  SBL   4  1  50
M  SMT   4  OCH3
M  SBV   4  50   -0.7441    0.4296
S  SKP  5
ID	FL3FAIDS0001
FORMULA	C29H34O17
EXACTMASS	654.179599662
AVERAGEMASS	654.57006
SMILES	C(C1O)(c(c(OC(C(O)5)OC(CO)C(O)C(O)5)4)c(O)c(c(c4)2)C(=O)C=C(c(c3)cc(OC)c(c3OC)O)O2)OC(CO)C(O)C1O
M  END

</pre>

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