Mol:FL5FECNS0042

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Copyright: ARM project http://www.metabolome.jp/
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M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  26  27
M  SBL   3  1  29
M  SMT   3  OCH3
M  SVB   3 29   -2.4614      0.77
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  24  25
M  SBL   2  1  27
M  SMT   2  OCH3
M  SVB   2 27   -2.8186   -0.3996
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  22  23
M  SBL   1  1  25
M  SMT   1  OCH3
M  SVB   1 25    0.3314   -0.6761
S  SKP  8
ID	FL5FECNS0042
KNApSAcK_ID	C00005053
NAME	Melisimplin;5-Hydroxy-3,6,7-trimethoxy-3',4'-(methylenedioxy)flavone;2-(1,3-Benzodioxol-5-yl)-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one
CAS_RN	485-53-0
FORMULA	C19H16O8
EXACTMASS	372.08451748799996
AVERAGEMASS	372.32554
SMILES	c(c4OC)c(O1)c(c(c4OC)O)C(C(=C1c(c3)cc(c2c3)OCO2)OC)=O
M  END

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