Mol:Arbutin

 
  ACD/Labs11090715452D 
 
 19 20  0  0  1  0  0  0  0  0  1 V2000 
   16.9196  -12.1703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.9196  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.7676  -11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   15.7676  -14.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.6159  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.6159  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4640  -14.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.7676  -15.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   19.2232  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.0713  -14.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   21.5269  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.5269  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3750  -11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.3750  -14.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.2232  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   22.6787  -11.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   15.7676  -10.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.6157   -9.5103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   13.4640  -11.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  3  1  1  0  0  0  0 
  4  2  1  0  0  0  0 
  6  4  1  0  0  0  0 
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  6  7  1  1  0  0  0 
  4  8  1  6  0  0  0 
 10  9  1  0  0  0  0 
  2 10  1  1  0  0  0 
  2  1  1  0  0  0  0 
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 13 11  2  0  0  0  0 
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  9 14  1  0  0  0  0 
  9 15  2  0  0  0  0 
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  3 17  1  1  0  0  0 
 18 17  1  0  0  0  0 
  5  3  1  0  0  0  0 
  5 19  1  6  0  0  0 
S  SKP  5 
ID	Arbutin 
FORMULA	C12H16O7 
EXACTMASS	272.089602866 
AVERAGEMASS	272.25124 
SMILES	OCC(O1)C(O)C(O)C(O)C(Oc(c2)ccc(O)c2)1 
M  END