Mol:Loganin

 
  ACD/Labs11200717092D 
 
 30 32  0  0  1  0  0  0  0  0  1 V2000 
   26.9506   -6.0812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9506   -7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.7987   -5.4162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.7987   -8.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6469   -6.0812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6469   -7.4112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.4952   -5.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.4952   -8.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1025   -8.0762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1025   -9.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9506  -10.0712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2544  -10.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2544  -11.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1025  -12.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9507  -11.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5581  -10.0712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5581  -11.4012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4062   -9.4062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.4063   -8.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.7987   -4.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9506   -8.7412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2544   -8.7412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2544  -12.7312    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   24.6468   -3.4212    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.7987   -9.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.1024  -13.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   29.2542  -14.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.9505  -14.0612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   32.7099   -9.4062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.7987  -13.3961    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  6  0  0  0 
  6  5  1  0  0  0  0 
  6  8  1  1  0  0  0 
 10  9  1  1  0  0  0 
  2  9  1  0  0  0  0 
  4  2  1  0  0  0  0 
 10 12  1  0  0  0  0 
 11 10  1  0  0  0  0 
 15 14  2  0  0  0  0 
 15 11  1  0  0  0  0 
 17 16  1  0  0  0  0 
 12 18  1  0  0  0  0 
 13 12  1  0  0  0  0 
 18 16  1  0  0  0  0 
 18 19  1  1  0  0  0 
 14 13  1  0  0  0  0 
  3 20  1  1  0  0  0 
  2 21  1  6  0  0  0 
 12 22  1  1  0  0  0 
 13 17  1  0  0  0  0 
 13 23  1  1  0  0  0 
 20 24  1  0  0  0  0 
  4 25  1  6  0  0  0 
 27 26  2  0  0  0  0 
 28 26  1  0  0  0  0 
 14 26  1  0  0  0  0 
 16 29  1  1  0  0  0 
 30 28  1  0  0  0  0 
S  SKP  5 
ID	Loganin 
FORMULA	C17H26O10 
EXACTMASS	390.152597052 
AVERAGEMASS	390.38234 
SMILES	COC(=O)C(=C2)C([H])(C3)C([H])(C(C)C(O)3)C(O2)OC([H])(O1)C(O)C(O)C(O)C(CO)1 
M  END