Mol:FL3FAKGS0001

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Copyright: ARM project http://www.metabolome.jp/
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 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 26 34  1  0  0  0  0
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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