Mol:Gentiopicroside

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Gentiopicroside.png

 
  ACD/Labs11180719222D 
 
 26 28  0  0  1  0  0  0  0  0  1 V2000 
   17.8810  -16.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.8810  -17.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7291  -15.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7291  -18.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.5773  -16.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.5773  -17.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1847  -16.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1847  -17.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0328  -15.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0328  -18.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.4884  -16.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.4884  -17.9069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.3365  -15.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.7921  -16.5769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.7921  -17.9069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.6402  -15.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.6402  -18.5719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.9440  -18.5719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.7921  -20.5669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.6403  -19.9019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.0328  -14.5819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.1846  -13.9169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.7291  -19.9019    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   22.4883  -15.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   23.6401  -14.5819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.9439  -15.9119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  2  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 
  6  5  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  2  0  0  0  0 
  2  1  1  0  0  0  0 
 13 11  1  0  0  0  0 
  7 13  1  6  0  0  0 
  8  7  1  0  0  0  0 
 15 14  1  0  0  0  0 
 16 14  1  0  0  0  0 
 11 16  1  0  0  0  0 
 12 17  1  0  0  0  0 
 12 11  1  0  0  0  0 
 15 18  1  6  0  0  0 
 17 15  1  0  0  0  0 
 20 19  1  0  0  0  0 
 17 20  1  1  0  0  0 
  9 21  1  1  0  0  0 
 21 22  2  0  0  0  0 
  4 23  2  0  0  0  0 
 11 24  1  6  0  0  0 
 16 25  1  6  0  0  0 
 14 26  1  1  0  0  0 
S  SKP  5 
ID	Gentiopicroside 
FORMULA	C16H20O9 
EXACTMASS	356.11073223799997 
AVERAGEMASS	356.3246 
SMILES	OCC(C(O)1)OC([H])(OC(O3)C(C=C)C(=C2)C(=C3)C(=O)OC2)C(O)C(O)1 
M  END
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