Mol:Puerarin

 
  ACD/Labs11090716443D 
 
 30 33  0  0  1  0  0  0  0  0  1 V2000 
   15.3171  -10.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.3171  -12.2985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1652  -10.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1652  -12.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0135  -10.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0135  -12.2985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8617  -10.3036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.7099  -10.9686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1652  -14.2935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.3170  -14.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0133  -14.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.3169  -16.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.0133  -16.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1651  -16.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6207  -14.9585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.6207  -16.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4688  -14.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4688  -16.9535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.7725  -16.9536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9243  -16.2886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.7725  -18.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.0762  -16.9537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.9243  -18.9486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.0761  -18.2837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.8615  -14.2935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4688  -18.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.2279  -18.9487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1652   -8.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4690  -10.3035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.4689  -12.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  2  1  1  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 
  6  4  1  0  0  0  0 
  5  7  1  6  0  0  0 
  6  5  1  0  0  0  0 
  8  7  1  0  0  0  0 
 10  9  1  0  0  0  0 
 11  9  2  0  0  0  0 
 12 10  2  0  0  0  0 
 13 11  1  0  0  0  0 
 14 12  1  0  0  0  0 
 14 13  2  0  0  0  0 
  4  9  1  6  0  0  0 
 16 15  2  0  0  0  0 
 17 15  1  0  0  0  0 
 18 16  1  0  0  0  0 
 10 17  1  0  0  0  0 
 12 18  1  0  0  0  0 
 20 19  1  0  0  0  0 
 21 19  2  0  0  0  0 
 22 20  2  0  0  0  0 
 23 21  1  0  0  0  0 
 24 22  1  0  0  0  0 
 24 23  2  0  0  0  0 
 16 19  1  0  0  0  0 
 11 25  1  0  0  0  0 
 18 26  2  0  0  0  0 
 24 27  1  0  0  0  0 
  3 28  1  1  0  0  0 
  1 29  1  6  0  0  0 
  2 30  1  1  0  0  0 
S  SKP  5 
ID	Puerarin 
FORMULA	C21H20O9 
EXACTMASS	416.11073223799997 
AVERAGEMASS	416.37809999999996 
SMILES	OCC(C(O)4)OC(C(O)C(O)4)c(c(O)3)c(O2)c(cc3)C(=O)C(=C2)c(c1)ccc(O)c1 
M  END