Mol:FLIA1LNI0005

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FLIA1LNI0005.png

 
 
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 30 32  0  0  0  0  0  0  0  0999 V2000 
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    0.0420   -0.4773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0420    0.1650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5143    0.4862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5981   -0.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5981   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1929   -1.8286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7877   -1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7877   -0.7984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.1830    2.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7391    2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6269    2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7755   -2.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4900   -2.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6537   -1.9852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5198   -2.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5404    0.7838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0403    1.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4900    0.1291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2045   -0.2834    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 
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 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 
  6 18  1  0  0  0  0 
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 19 20  2  0  0  0  0 
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 20 22  1  0  0  0  0 
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 23 24  1  0  0  0  0 
 14 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  1 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
 16 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  29  30 
M  SBL   4  1  31 
M  SMT   4  OCH3 
M  SVB   4 31      1.49    0.1291 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  27  28 
M  SBL   3  1  29 
M  SMT   3  OCH3 
M  SVB   3 29   -2.5404    0.7838 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  27 
M  SMT   2  OCH3 
M  SVB   2 27    2.0246   -1.6914 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  25 
M  SMT   1  OCH3 
M  SVB   1 25    0.7755   -2.0001 
S  SKP  8 
ID	FLIA1LNI0005 
KNApSAcK_ID	C00009884 
NAME	Prebarbigerone;7,2',4',5'-Tetramethoxy-8-prenylisoflavone 
CAS_RN	130286-70-3 
FORMULA	C24H26O6 
EXACTMASS	410.172938564 
AVERAGEMASS	410.45964 
SMILES	O(C=2)c(c(CC=C(C)C)1)c(C(=O)C2c(c3)c(OC)cc(OC)c3OC)ccc1OC 
M  END
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