Mol:FL3FAKGS0001

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FL3FAKGS0001.png

 
 
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M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1  OCH3 
M  SBV   1  34    0.0000   -0.7125 
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   -0.7208   -0.4029 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  3  34  35  36 
M  SBL   3  1  39 
M  SMT   3 ^ COOH 
M  SBV   3  39    0.1559   -0.9771 
S  SKP  5 
ID	FL3FAKGS0001 
FORMULA	C23H22O13 
EXACTMASS	506.10604078999995 
AVERAGEMASS	506.41298000000006 
SMILES	OC(C4C(O)=O)C(C(O)C(O4)Oc(c3)cc(c(c3O)1)OC(c(c2)cc(OC)c(OC)c2O)=CC1=O)O 
M  END
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