
 OpenBabel04291915353D

 50 53  0  0  1  0  0  0  0  0999 V2000
   -6.8829    3.0508   -5.7760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6695    3.7547   -4.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9499    3.9922   -5.2741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4436    3.5256   -6.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6570    2.8217   -7.2627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6026    2.8134   -5.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7568    2.0564   -6.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4764    1.8190   -6.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7416    1.1614   -6.7876 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5455    0.9396   -6.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7589    0.2357   -7.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2505    1.5899   -7.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4209    1.8070   -7.7989 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5215   -0.0018   -6.9828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3081   -0.7057   -7.8129 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5884   -0.9431   -7.4847 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0517    1.4061   -5.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    2.1559   -4.1434 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.6157    2.1559   -4.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0390    1.4932   -2.8728 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3957    2.0345   -2.0216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457    0.0614   -2.8114 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6157    0.0614   -2.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0390   -0.6013   -1.5408 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3957   -0.0599   -0.6896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5457   -2.0330   -1.4794 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.1890   -2.4996   -0.5850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724    3.4935   -4.2008 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0657   -2.0330   -1.4794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5391   -3.3706   -1.4221 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3810   -0.6013   -1.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0724   -0.6570   -3.9411 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3810    1.4932   -2.8728 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3786   -1.6502   -8.3186 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7400    4.6993   -4.4402 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2624    2.6923   -6.6662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2901    4.1132   -4.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4275    3.7081   -6.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8790    2.3988   -8.1775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970    2.1775   -5.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9009    0.3568   -6.0925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -1.0642   -8.7032 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224   -1.5665   -2.3739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4224   -1.4917   -0.6282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2157   -3.8613   -2.1938 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043   -1.0921   -2.3125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1024   -0.6570   -3.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7043    1.0024   -3.6445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2719   -1.8159   -8.0895 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3955    5.0248   -3.6319 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  6  1  0  0  0  0
  1 36  1  0  0  0  0
  2  3  1  0  0  0  0
  2 37  1  0  0  0  0
  3 35  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  4 38  1  0  0  0  0
  5  6  2  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7 12  1  0  0  0  0
  8  9  1  0  0  0  0
  8 40  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 14  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 14 15  2  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 34  1  0  0  0  0
 16 17  2  0  0  0  0
 18 20  1  0  0  0  0
 18 28  1  0  0  0  0
 18 19  1  6  0  0  0
 18 17  1  0  0  0  0
 20 33  1  0  0  0  0
 20 22  1  0  0  0  0
 20 21  1  1  0  0  0
 22 24  1  0  0  0  0
 22 23  1  6  0  0  0
 22 32  1  0  0  0  0
 24 31  1  0  0  0  0
 24 26  1  0  0  0  0
 24 25  1  1  0  0  0
 26 29  1  0  0  0  0
 26 27  1  6  0  0  0
 26 28  1  0  0  0  0
 29 30  1  0  0  0  0
 29 43  1  0  0  0  0
 29 44  1  0  0  0  0
 30 45  1  0  0  0  0
 31 46  1  0  0  0  0
 32 47  1  0  0  0  0
 33 48  1  0  0  0  0
 34 49  1  0  0  0  0
 35 50  1  0  0  0  0
M  END
>  <SKU>
A10759

>  <Product Name>
Puerarin (Kakonein)

>  <CAS>
3681-99-0

>  <M.Wt>
416.3781

>  <Formula>
C21H20O9

>  <Synonyms>
NPI-31G

>  <URL>
https://www.adooq.com/puerarin-kakonein.html

$$$$
