Mol:Baicalin

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Baicalin.png

 
  ACD/Labs11090716283D 
 
 32 35  0  0  1  0  0  0  0  0  1 V2000 
   17.2240  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   17.2240  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.0721  -11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   16.0721  -14.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9203  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   14.9203  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.5277  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   19.5277  -13.5003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   18.3758  -11.5053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.3758  -14.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.7685  -14.1653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   16.0721  -15.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   18.3758  -15.4953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   20.6795  -11.5053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   20.6795  -10.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.8314  -12.1703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   21.8314   -9.5103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   22.9832  -10.1753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   13.7686  -11.5054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   12.6169  -13.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4651  -11.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   10.3135  -12.1707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4653  -14.1653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   11.4650  -10.1756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1616  -11.5058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    9.1618  -14.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   11.4653  -15.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   12.6172  -16.1602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   10.3134  -16.1604    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 
  9  7  1  0  0  0  0 
 10  8  1  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 
  4 12  1  0  0  0  0 
 10 13  2  0  0  0  0 
 15 14  1  0  0  0  0 
 16 14  2  0  0  0  0 
 17 15  2  0  0  0  0 
 18 16  1  0  0  0  0 
 19 17  1  0  0  0  0 
 19 18  2  0  0  0  0 
  7 14  1  0  0  0  0 
 20  5  1  0  0  0  0 
 21 20  1  6  0  0  0 
 11  6  1  0  0  0  0 
 23 21  1  0  0  0  0 
 22 21  1  0  0  0  0 
 24 23  1  0  0  0  0 
 25 22  1  0  0  0  0 
 26 24  1  0  0  0  0 
 26 25  1  0  0  0  0 
 23 27  1  1  0  0  0 
 24 28  1  6  0  0  0 
 26 29  1  1  0  0  0 
 31 30  2  0  0  0  0 
 32 30  1  0  0  0  0 
 25 30  1  6  0  0  0 
S  SKP  5 
ID	Baicalin 
FORMULA	C21H18O11 
EXACTMASS	446.084911418 
AVERAGEMASS	446.36102 
SMILES	OC(=O)C(O1)C(O)C(O)C(O)C1Oc(c2)c(O)c(O)c(C(=O)3)c(OC(c(c4)cccc4)=C3)2 
M  END
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