Mol:FL5FFCGS0003

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FL5FFCGS0003.png

 
 
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 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -3.2228    1.9796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
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  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
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  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 15 16  1  0  0  0  0 
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 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
  8 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 15 22  1  0  0  0  0 
  6 23  1  0  0  0  0 
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 25 26  1  1  0  0  0 
 27 26  1  1  0  0  0 
 27 28  1  0  0  0  0 
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 25 31  1  0  0  0  0 
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 27 18  1  0  0  0  0 
 29 33  1  0  0  0  0 
 33 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  33  34 
M  SBL   1  1  36 
M  SMT   1  CH2OH 
M  SVB   1 36   -2.1832    0.4217 
S  SKP  8 
ID	FL5FFCGS0003 
KNApSAcK_ID	C00005688 
NAME	Gossypetin 7-glucoside 
CAS_RN	489-34-9 
FORMULA	C21H20O13 
EXACTMASS	480.090390726 
AVERAGEMASS	480.37569999999994 
SMILES	[C@@H]([C@@H]1Oc(c4O)cc(c(c34)C(C(O)=C(O3)c(c2)cc(c(O)c2)O)=O)O)(O)[C@@H](O)[C@@H](O)C(O1)CO 
M  END
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