Mol:FLIAFLNS0001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.3617    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -0.9183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    1.0084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3413   -1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4753   -1.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4755   -2.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0909    2.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178   -0.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  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
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 12 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
 15 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    2.2034     0.067
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   -1.5274    1.5816
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   -0.2949   -0.8934
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    1.8461   -1.1691
S  SKP  8
ID	FLIAFLNS0001
KNApSAcK_ID	C00009489
NAME	Isocaviunin;5,7-Dihydroxy-8,2',4',5'-tetramethoxyisoflavone
CAS_RN	4968-78-9
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c(OC)1)(OC)cc(c(C(C2=O)=COc(c3OC)c(c(O)cc3O)2)c1)OC
M  END

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