Mol:Capillarisin

 
  ACD/Labs11200716042D 
 
 23 25  0  0  0  0  0  0  0  0  1 V2000 
   26.5180   -4.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   26.5180   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.3661   -3.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   25.3661   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.2143   -4.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   24.2143   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8217   -4.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   28.8217   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.6698   -3.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   27.6698   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   27.6698   -7.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   25.3661   -7.4031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   23.0625   -6.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.9107   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   23.0625   -3.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   30.1517   -4.0781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   31.4817   -4.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.7854   -4.0781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   33.7854   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.6335   -3.4131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   32.6335   -6.0731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   31.4817   -5.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   34.9372   -6.0731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  2  0  0  0  0 
  4  2  2  0  0  0  0 
  5  3  1  0  0  0  0 
  6  4  1  0  0  0  0 
  6  5  2  0  0  0  0 
  8  7  2  0  0  0  0 
  1  9  1  0  0  0  0 
  2 10  1  0  0  0  0 
  2  1  1  0  0  0  0 
 10 11  2  0  0  0  0 
  8 10  1  0  0  0  0 
  9  7  1  0  0  0  0 
  4 12  1  0  0  0  0 
  6 13  1  0  0  0  0 
 13 14  1  0  0  0  0 
  5 15  1  0  0  0  0 
  7 16  1  0  0  0  0 
 19 18  1  0  0  0  0 
 20 18  2  0  0  0  0 
 21 19  2  0  0  0  0 
 17 20  1  0  0  0  0 
 22 21  1  0  0  0  0 
 22 17  2  0  0  0  0 
 19 23  1  0  0  0  0 
 16 17  1  0  0  0  0 
S  SKP  5 
ID	Capillarisin 
FORMULA	C16H12O7 
EXACTMASS	316.058302738 
AVERAGEMASS	316.26228000000003 
SMILES	COc(c(O)3)c(O)c(C(=O)1)c(c3)OC(Oc(c2)ccc(O)c2)=C1 
M  END