Mol:FL3FEAGS0022

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FL3FEAGS0022.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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  6  1  2  0  0  0  0
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  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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  9 12  1  0  0  0  0
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 14 15  2  0  0  0  0
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 17 12  1  0  0  0  0
 18  3  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 21  1  0  0  0  0
 21 26  1  0  0  0  0
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 23 28  1  0  0  0  0
 19 23  1  1  0  0  0
 19 24  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
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 32 33  1  0  0  0  0
 15 32  1  0  0  0  0
 34 35  1  0  0  0  0
  2 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  29  30  31
M  SBL   1  1  34
M  SMT   1 ^ COOH
M  SBV   1  34    0.5064   -0.6023
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  36
M  SMT   2  OCH3
M  SBV   2  36   -0.7681   -0.4435
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  38
M  SMT   3 ^ OCH3
M  SBV   3  38    0.6482    0.3742
S  SKP  5
ID	FL3FEAGS0022
FORMULA	C23H22O12
EXACTMASS	490.111126168
AVERAGEMASS	490.41358
SMILES	c(c1)(O3)c(C(=O)C=C(c(c4)ccc(OC)c4)3)c(c(c(OC(O2)C(O)C(C(O)C2C(O)=O)O)1)OC)O
M  END

</pre>

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