Mol:FL5FEAGS0008

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FL5FEAGS0008.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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  4  5  2  0  0  0  0
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  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
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  3 21  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
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 31 32  1  0  0  0  0
  2 31  1  0  0  0  0
 33 34  1  0  0  0  0
 27 33  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 ^ OCH3
M  SBV   1  35    0.6069    0.3790
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  37
M  SMT   2 ^ CH2OH
M  SBV   2  37    0.5503   -0.5135
S  SKP  5
ID	FL5FEAGS0008
FORMULA	C22H22O12
EXACTMASS	478.111126168
AVERAGEMASS	478.40288000000004
SMILES	COc(c3OC(C(O)4)OC(CO)C(C4O)O)c(c(C2=O)c(c3)OC(=C2O)c(c1)ccc(c1)O)O
M  END

</pre>

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