Mol:Geniposide

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Geniposide.png

 
  ACD/Labs11200717072D 
 
 30 32  0  0  1  0  0  0  0  0  1 V2000 
   28.1044   -5.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1044   -6.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9525   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9525   -7.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8007   -5.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.8007   -6.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6490   -4.7433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6490   -7.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.4972   -6.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2563   -7.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2563   -8.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1044   -9.3982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4082   -9.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4082  -10.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   28.1045  -10.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7119   -9.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7119  -10.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5600   -8.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7119   -6.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5601   -7.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4081  -13.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2564  -12.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9525   -3.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2562   -4.7432    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1044   -8.0682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4082   -8.0682    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1046  -13.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4082  -12.0582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9528  -12.7230    0.0000 C   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 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  5  7  1  1  0  0  0 
  6  5  1  0  0  0  0 
  6  8  1  6  0  0  0 
  9  8  1  0  0  0  0 
 11 10  1  1  0  0  0 
  2 10  1  0  0  0  0 
  4  2  1  0  0  0  0 
 11 13  1  0  0  0  0 
 12 11  1  0  0  0  0 
 16 15  2  0  0  0  0 
 16 12  1  0  0  0  0 
 18 17  1  0  0  0  0 
 13 19  1  0  0  0  0 
 14 13  1  0  0  0  0 
 21 20  1  0  0  0  0 
 19 17  2  0  0  0  0 
 19 21  1  0  0  0  0 
 15 14  1  0  0  0  0 
 23 22  2  0  0  0  0 
 23 15  1  0  0  0  0 
  3 24  1  6  0  0  0 
  1 25  1  1  0  0  0 
  2 26  1  1  0  0  0 
 13 27  1  1  0  0  0 
 14 18  1  0  0  0  0 
 23 28  1  0  0  0  0 
 14 29  1  1  0  0  0 
 30 28  1  0  0  0  0 
S  SKP  5 
ID	Geniposide 
FORMULA	C17H24O10 
EXACTMASS	388.136946988 
AVERAGEMASS	388.36645999999996 
SMILES	COC(=O)C(=C2)C([H])(C3)C([H])(C(CO)=C3)C(O2)OC([H])(O1)C(O)C(O)C(O)C(CO)1 
M  END
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