Mol:FLIAG8NS0001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -1.6793   -0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1231   -1.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668   -0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.0105   -1.9048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0105   -1.2624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0280   -3.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0280   -3.2115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.8378    0.4038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.6823   -3.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6809   -3.1238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2657    1.5070    0.0000 C   0  0  0  0  0  0  0  0  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  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28   -2.2825    1.1685
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    -1.091    1.4439
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24    1.7479    0.5137
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -2.6398   -0.0012
S  SKP  8
ID	FLIAG8NS0001
KNApSAcK_ID	C00009869
NAME	5,3'-Dihydroxy-6,7,8,2'-tetramethoxyisoflavone
CAS_RN	129724-36-3
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c(C(C2=O)=COc(c3OC)c(c(c(c3OC)OC)O)2)1)(OC)c(O)ccc1
M  END

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