Mol:FL5FFCGS0002

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FL5FFCGS0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
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   -1.7731    2.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8397   -3.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9391   -3.1085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964   -3.8358    0.0000 O   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
  7 11  2  0  0  0  0
  9 12  1  0  0  0  0
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  1 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 24 23  1  1  0  0  0
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 21 19  1  0  0  0  0
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 23 22  1  1  0  0  0
 15 29  1  0  0  0  0
  3 30  1  0  0  0  0
 16 31  1  0  0  0  0
  6 32  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 23 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  33  34  35
M  SBL   1  1  38
M  SMT   1  COOH
M  SBV   1  38   -0.2002    1.1775
S  SKP  5
ID	FL5FFCGS0002
FORMULA	C21H18O14
EXACTMASS	494.06965528399996
AVERAGEMASS	494.35922
SMILES	C(C(C(O)=O)1)(O)C(C(C(OC(=C3c(c4)cc(c(O)c4)O)C(c(c2O3)c(cc(c2O)O)O)=O)O1)O)O
M  END

</pre>

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