Mol:FLIAELNS0001

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FLIAELNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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   -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 
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    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 
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  8 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
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 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
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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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