Mol:Liquiritin

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Liquiritin.png

 
  ACD/Labs11100713462D 
 
 30 33  0  0  1  0  0  0  0  0  1 V2000 
   24.0823   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.0823   -8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9304   -6.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.9304   -9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7786   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.7786   -8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3860   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.3860   -8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2341   -6.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2341   -9.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5378   -6.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.5378   -5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.6896   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.6896   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8414   -6.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.8414   -5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1451   -5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.1451   -6.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.9932   -4.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   34.4488   -5.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   34.4488   -6.7461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.2969   -4.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.2969   -7.4111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   35.6007   -7.4111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   34.4488   -9.4061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.2970   -8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.6268   -6.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.2340  -10.7361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   35.6006   -4.7511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   33.2968   -3.4211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  8  7  1  0  0  0  0 
  9  7  1  0  0  0  0 
 10  8  1  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
 12 11  1  0  0  0  0 
 13 11  2  0  0  0  0 
 14 12  2  0  0  0  0 
 15 13  1  0  0  0  0 
 16 14  1  0  0  0  0 
 16 15  2  0  0  0  0 
  7 11  1  6  0  0  0 
 17 19  1  1  0  0  0 
 16 19  1  0  0  0  0 
 21 20  1  0  0  0  0 
 22 20  1  0  0  0  0 
 17 22  1  0  0  0  0 
 18 23  1  0  0  0  0 
 18 17  1  0  0  0  0 
 21 24  1  6  0  0  0 
 23 21  1  0  0  0  0 
 26 25  1  0  0  0  0 
 23 26  1  1  0  0  0 
  5 27  1  0  0  0  0 
 10 28  2  0  0  0  0 
 20 29  1  1  0  0  0 
 22 30  1  6  0  0  0 
S  SKP  5 
ID	Liquiritin 
FORMULA	C21H22O9 
EXACTMASS	418.126382302 
AVERAGEMASS	418.39398 
SMILES	OCC(O1)C(O)C(O)C(O)C(Oc(c4)ccc(c4)C(C2)Oc(c3)c(ccc(O)3)C(=O)2)1 
M  END
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