Mol:FL3FAICS0003

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Copyright: ARM project http://www.metabolome.jp/
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  1 12  1  0  0  0  0
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 17 18  1  0  0  0  0
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  9 23  1  0  0  0  0
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 35 41  1  0  0  0  0
 43 44  1  0  0  0  0
 27 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  39  40
M  SBL   1  1  44
M  SMT   1  OCH3
M  SBV   1  44   -1.1122    0.6422
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  41  42
M  SBL   2  1  46
M  SMT   2 ^ CH2OH
M  SBV   2  46    0.7024   -0.5921
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  43  44
M  SBL   3  1  48
M  SMT   3  OCH3
M  SBV   3  48   -0.3762   -0.7470
S  SKP  5
ID	FL3FAICS0003
FORMULA	C28H32O16
EXACTMASS	624.1690349759999
AVERAGEMASS	624.54408
SMILES	C(C(O)1)(C(OC(c(c(O)2)c(c(C(O5)C(O)C(C(O)C5)O)c(O3)c(C(=O)C=C(c(c4)cc(OC)c(O)c(OC)4)3)2)O)C(O)1)CO)O
M  END

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