Mol:FLIAGCNS0001

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Copyright: ARM project http://www.metabolome.jp/
 28 31  0  0  0  0  0  0  0  0999 V2000
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  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
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 15 16  2  0  0  0  0
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  7 17  2  0  0  0  0
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 20 14  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
  3 23  1  0  0  0  0
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  6 25  1  0  0  0  0
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  1 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  27  28
M  SBL   4  1  30
M  SMT   4  OCH3
M  SVB   4 30   -2.2406    1.5402
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  28
M  SMT   3  OCH3
M  SVB   3 28    -1.049    1.8157
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  26
M  SMT   2  OCH3
M  SVB   2 26   -1.7635   -0.2026
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  24
M  SMT   1  OCH3
M  SVB   1 24   -2.5979    0.3706
S  SKP  8
ID	FLIAGCNS0001
KNApSAcK_ID	C00009491
NAME	5,6,7,8-Tetramethoxy-3',4'-methylenedioxyisoflavone
CAS_RN	51986-38-0
FORMULA	C20H18O8
EXACTMASS	386.100167552
AVERAGEMASS	386.35212
SMILES	O(C)c(c12)c(c(c(OC)c1C(C(c(c4)cc(O3)c(c4)OC3)=CO2)=O)OC)OC
M  END

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