Mol:FL3FFGDS0001

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FL3FFGDS0001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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  5  6  1  0  0  0  0
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 22 23  1  0  0  0  0
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  2 22  1  0  0  0  0
  1 27  1  0  0  0  0
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  6 41  1  0  0  0  0
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 24 45  1  0  0  0  0
 47 48  1  0  0  0  0
 16 47  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   -0.7630    0.4579
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    0.0127   -0.7345
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  48
M  SMT   3  OCH3
M  SBV   3  48   -0.0063   -0.6631
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  45  46
M  SBL   4  1  50
M  SMT   4 ^ CH2OH
M  SBV   4  50    0.5846   -0.6714
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  47  48
M  SBL   5  1  52
M  SMT   5  OCH3
M  SBV   5  52   -0.7011   -0.4964
S  SKP  5
ID	FL3FFGDS0001
FORMULA	C31H38O17
EXACTMASS	682.21089979
AVERAGEMASS	682.62322
SMILES	OC(C1O)C(OC(c(c5O)c(c(c4c(OC)5)C(=O)C=C(O4)c(c3)cc(c(c(OC)3)OC)OC)OC(O2)C(C(O)C(C(C)2)O)O)C1O)CO
M  END

</pre>

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