Mol:Catalpol

 
  ACD/Labs12110709392D 
 
 28 31  0  0  1  0  0  0  0  0  1 V2000 
   26.5821   -9.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5821  -10.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.4302   -8.7332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.4302  -11.3932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.2784   -9.3982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7340   -7.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7340   -8.7332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5821   -6.7382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.4303   -7.4032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8859   -5.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8859   -6.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.7340   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5822   -5.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.1896   -5.4082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.1896   -6.7382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.0377   -4.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   30.0377   -3.4132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8859   -4.0782    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8456   -8.0229    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   24.2784  -10.7282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.4301  -12.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.2783  -13.3880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.1267  -11.3931    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.1266   -8.7332    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   32.3414   -6.0732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.8961  -10.3596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0 
   31.5338   -8.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.8185   -8.3671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  6  7  1  6  0  0  0 
  1  7  1  0  0  0  0 
  3  9  1  1  0  0  0 
 12 10  1  0  0  0  0 
  6 11  1  0  0  0  0 
 13 12  2  0  0  0  0 
  8  6  1  0  0  0  0 
  8 13  1  0  0  0  0 
 16 14  1  0  0  0  0 
 10 16  1  0  0  0  0 
 11 10  1  0  0  0  0 
 11 15  1  0  0  0  0 
 16 17  1  6  0  0  0 
 10 18  1  6  0  0  0 
 11 19  1  6  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 
 20  5  1  0  0  0  0 
  4 21  1  6  0  0  0 
 20  4  1  0  0  0  0 
 22 21  1  0  0  0  0 
 20 23  1  1  0  0  0 
  5 24  1  6  0  0  0 
 15 14  1  0  0  0  0 
 15 25  1  6  0  0  0 
 14 25  1  6  0  0  0 
  1 26  1  1  0  0  0 
 15 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
S  SKP  5 
ID	Catalpol 
FORMULA	C15H22O10 
EXACTMASS	362.121296924 
AVERAGEMASS	362.32918 
SMILES	OCC(C(O)4)OC([H])(C(O)C(O)4)OC(O3)C([H])(C([H])(C=C3)2)C(CO)(O1)C1C(O)2 
M  END