Mol:FL3FEAGS0003

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FL3FEAGS0003.png

 
 
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 32 35  0  0  0  0  0  0  0  0999 V2000 
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  1  2  1  0  0  0  0 
  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
  5  6  1  0  0  0  0 
  6  1  2  0  0  0  0 
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  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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  1 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
 20  3  1  0  0  0  0 
  2 21  1  0  0  0  0 
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 25 26  1  0  0  0  0 
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 27 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SVB   1 34   -2.3187    0.1656 
S  SKP  8 
ID	FL3FEAGS0003 
KNApSAcK_ID	C00004218 
NAME	Scutellarein 6-glucoside 
CAS_RN	10289-41-5 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	[C@@H]([C@@H]1Oc(c(O)2)c(O)cc(O3)c(C(=O)C=C(c(c4)ccc(O)c4)3)2)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END
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