Mol:FLIAELNS0001

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
   -2.2825    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2825    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1699    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0573    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6883    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0936    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6136   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8386    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9970   -0.0590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5543   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4203   -1.6764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5545   -1.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5547   -2.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9703    0.5457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6847    0.1330    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
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 14 22  1  0  0  0  0
 22 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
  2 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    -2.997     0.423
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   -0.2157   -0.6069
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    1.9253   -0.8826
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    2.2825    0.3535
S  SKP  8
ID	FLIAELNS0001
KNApSAcK_ID	C00009487
NAME	Caviunin;5,7-Dihydroxy-6,2',4',5'-tetramethoxyisoflavone
CAS_RN	4935-92-6
FORMULA	C19H18O8
EXACTMASS	374.100167552
AVERAGEMASS	374.34142
SMILES	c(c(OC)1)(OC)cc(c(C(C3=O)=COc(c23)cc(c(c2O)OC)O)c1)OC
M  END

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