Mol:FL5FADGSS001

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FL5FADGSS001.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
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 16 38  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  35  36  37
M  SBL   1  1  40
M  SMT   1  COOH
M  SBV   1  40   -0.9650    0.2586
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  38  39
M  SBL   2  1  42
M  SMT   2  OCH3
M  SBV   2  42    0.0000   -0.7614
S  SKP  5
ID	FL5FADGSS001
FORMULA	C22H20O16S
EXACTMASS	572.047205282
AVERAGEMASS	572.4506
SMILES	O(c(c(O)4)cc(cc4)C(O1)=C(OC(C(O)3)OC(C(O)C3O)C(O)=O)C(=O)c(c2O)c(cc(c2)OS(O)(=O)=O)1)C
M  END

</pre>

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