Mol:FLIFWYNF0001

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FLIFWYNF0001.png

 
 
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 31 35  0  0  0  0  0  0  0  0999 V2000 
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   -0.3894    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8551    0.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0764   -0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5422   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5422    0.1233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0764    0.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0080   -0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4738   -0.4145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4738    0.1233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0080    0.3922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0080   -1.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4738   -1.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9395   -0.6835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0157   -1.0282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9959    0.9174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5389    0.9459    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0 
   -1.7337    0.4383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8484    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3522    1.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5169    2.0562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0135    0.8188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0835    0.8201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3030   -1.9324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9429   -2.8653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3522   -2.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8131   -2.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  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  1  0  0  0  0 
 14  9  1  0  0  0  0 
 11 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 18  2  0  0  0  0 
 18 12  1  0  0  0  0 
  7 19  2  0  0  0  0 
  6 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
 22  1  1  0  0  0  0 
 21 23  1  1  0  0  0 
 23 24  1  0  0  0  0 
 23 25  2  0  0  0  0 
 21 26  1  6  0  0  0 
 14 27  2  0  0  0  0 
 16 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
 17 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  34 
M  SMT   2  OCH3 
M  SVB   2 34    2.3522    -2.016 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    1.0252   -1.6437 
S  SKP  8 
ID	FLIFWYNF0001 
KNApSAcK_ID	C00002569 
NAME	Rotenonone 
CAS_RN	4436-62-7 
FORMULA	C23H18O7 
EXACTMASS	406.10525293 
AVERAGEMASS	406.38482 
SMILES	[C@]([H])(C5)(Oc(c45)ccc(c43)C(C(=C(O3)1)c(c2)c(cc(c2OC)OC)OC(=O)1)=O)C(C)=C 
M  END
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