Mol:PR100971

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PR100971.png

 
  ISISHOST11100423352D 1   1.00000     0.00000 14611 
 
 32 35  0     1  0            999 V2000 
    3.4958   -7.3375    0.0000 C   0  0  2  0  0  0           0  0  0 
    3.4958   -8.1625    0.0000 O   0  0  0  0  0  0           0  0  0 
    4.2120   -8.5750    0.0000 C   0  0  1  0  0  0           0  0  0 
    4.9240   -8.1625    0.0000 C   0  0  2  0  0  0           0  0  0 
    4.9240   -7.3375    0.0000 C   0  0  1  0  0  0           0  0  0 
    4.2120   -6.9250    0.0000 C   0  0  1  0  0  0           0  0  0 
    2.7816   -6.9246    0.0000 O   0  0  0  0  0  0           0  0  0 
    4.2131   -9.4000    0.0000 C   0  0  0  0  0  0           0  0  0 
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    4.2131   -6.1000    0.0000 O   0  0  0  0  0  0           0  0  0 
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    3.4991   -9.8134    0.0000 O   0  0  0  0  0  0           0  0  0 
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    2.7887   -4.4517    0.0000 C   0  0  0  0  0  0           0  0  0 
    3.4956   -5.6931    0.0000 C   0  0  0  0  0  0           0  0  0 
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    1.3473   -7.7448    0.0000 O   0  0  0  0  0  0           0  0  0 
    3.5025   -4.0414    0.0000 C   0  0  0  0  0  0           0  0  0 
    4.2128   -5.2828    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.0699   -5.2655    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.0699   -6.9172    0.0000 C   0  0  0  0  0  0           0  0  0 
    4.2163   -4.4586    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.7872   -5.6793    0.0000 C   0  0  0  0  0  0           0  0  0 
   -0.7872   -6.5034    0.0000 C   0  0  0  0  0  0           0  0  0 
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   -1.5010   -5.2655    0.0000 O   0  0  0  0  0  0           0  0  0 
  3  4  1  0     0  0 
  6 10  1  6     0  0 
  4  5  1  0     0  0 
  4 11  1  6     0  0 
  5  6  1  0     0  0 
  8 12  1  0     0  0 
  6  1  1  0     0  0 
  1  7  1  1     0  0 
  1  2  1  0     0  0 
  3  8  1  1     0  0 
  2  3  1  0     0  0 
  5  9  1  1     0  0 
 13 14  2  0     0  0 
 13 15  1  0     0  0 
 13 16  1  0     0  0 
 14 17  1  0     0  0 
 14  7  1  0     0  0 
 15 18  1  0     0  0 
 15 19  2  0     0  0 
 16 20  1  0     0  0 
 17 21  1  0     0  0 
 17 22  2  0     0  0 
 18 23  2  0     0  0 
 19 24  1  0     0  0 
 20 25  2  0     0  0 
 21 26  2  0     0  0 
 23 27  1  0     0  0 
 25 28  1  0     0  0 
 26 29  1  0     0  0 
 26 30  1  0     0  0 
 27 31  1  0     0  0 
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 20 21  1  0     0  0 
 24 27  2  0     0  0 
 28 29  2  0     0  0 
S  SKP  7 
CAS_RN	480-10-4 
NAME	Kaempferol-3-O-Glucoside 
ID	PR100971 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC(C(=O)2)=C(c(c4)ccc(O)c4)Oc(c3)c(c(O)cc(O)3)2 
M  END
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