Mol:Resibufogenin

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Resibufogenin.png

 
  ACD/Labs11200718232D 
 
 31 36  0  0  1  0  0  0  0  0  1 V2000 
   27.1590  -11.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.1590  -12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   26.0071  -13.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.8553  -11.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.8553  -12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4627  -11.4011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.4627  -12.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.3108  -10.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.3108  -13.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   30.6146  -10.7361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   28.3109   -9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   30.6145   -5.4159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   32.9182   -5.4159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.7663   -4.7508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.7035  -13.3961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   29.4627  -10.0711    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   30.6145   -8.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   31.7664  -11.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  1  0  0  0  0 
  4  2  1  0  0  0  0 
  5  3  1  0  0  0  0 
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  6  5  1  0  0  0  0 
  8  7  1  0  0  0  0 
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  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
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  7 12  1  0  0  0  0 
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 17 18  1  1  0  0  0 
  6 24  1  1  0  0  0 
  1 25  1  1  0  0  0 
  2 26  1  1  0  0  0 
  7 27  1  1  0  0  0 
 11 28  1  1  0  0  0 
 23 29  2  0  0  0  0 
  9 30  1  6  0  0  0 
 12 31  1  1  0  0  0 
 16 31  1  1  0  0  0 
 12 16  1  0  0  0  0 
S  SKP  5 
ID	Resibufogenin 
FORMULA	C24H32O4 
EXACTMASS	384.23005951199997 
AVERAGEMASS	384.50847999999996 
SMILES	C(C5(C)6)([H])(CC(O)CC6)CCC(C5([H])1)(C(O4)(C42)C(C(C(C=3)=COC(=O)C3)C2)(C)CC1)[H] 
M  END
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