Mol:PR100977

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PR100977.png

 
  ACD/Labs04270909332D 
 
 31 34  0  0  1  0  0  0  0  0  1 V2000 
   12.5300   -8.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.3627   -8.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   12.5300   -6.7976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6974   -7.2783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.6974   -8.2398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1953   -8.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   14.1953   -6.7976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9064   -6.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.9064   -7.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7390   -8.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5717   -7.6180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    6.5717   -6.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.7390   -6.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    9.9022   -6.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   10.7349   -5.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9022   -4.7337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    9.0696   -5.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.5675   -4.7337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.8256   -8.2339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    5.7390   -9.0602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8381   -6.1558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   12.5300   -9.6820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.9022   -3.7722    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  6  0  0  0 
  3  8  1  6  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  2  0  0  0  0 
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 22 25  1  0  0  0  0 
 16 26  1  0  0  0  0 
 15 27  2  0  0  0  0 
 11 28  1  0  0  0  0 
  9 29  1  0  0  0  0 
  6 26  1  6  0  0  0 
  1 30  1  1  0  0  0 
 23 31  1  0  0  0  0 
S  SKP  7 
CAS_RN	22255-13-6 
NAME	Quercetin-3-Arabinoside 
ID	PR100977 
FORMULA	C20H18O11 
EXACTMASS	434.084911418 
AVERAGEMASS	434.35032 
SMILES	Oc(c4)c(O)cc(c4)C(O1)=C(OC(O3)C(O)C(O)C(O)C3)C(=O)c(c(O)2)c(cc(O)c2)1 
M  END
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