Mol:FL5FFCGS0005

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FL5FFCGS0005.png

 
 
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 34 37  0  0  0  0  0  0  0  0999 V2000 
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    2.8187    0.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0259    1.3750    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -2.2049    2.6741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1088    1.4661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -1.1244    0.2245    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1870    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7125    2.2798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  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 
  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 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 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 
 23 24  1  1  0  0  0 
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 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
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 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 31  1  0  0  0  0 
  6 32  1  0  0  0  0 
 26 32  1  0  0  0  0 
 28 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    -1.187    1.3995 
S  SKP  8 
ID	FL5FFCGS0005 
KNApSAcK_ID	C00005690 
NAME	Gossypetin 8-glucoside 
CAS_RN	652-78-8 
FORMULA	C21H20O13 
EXACTMASS	480.090390726 
AVERAGEMASS	480.37569999999994 
SMILES	c(O)(c4)c(c(c(c4O)2)OC(c(c3)cc(c(O)c3)O)=C(C2=O)O)O[C@@H]([C@@H](O)1)OC(CO)[C@H](O)[C@@H]1O 
M  END
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