Mol:FL5F1CGS0001

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FL5F1CGS0001.png

 
 
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 32 35  0  0  0  0  0  0  0  0999 V2000 
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    1.0945   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.6012   -0.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1819   -0.8808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0051    0.7471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2906    0.3346    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 
  8 19  1  0  0  0  0 
 20 15  1  0  0  0  0 
 16 21  1  0  0  0  0 
 22 23  1  1  0  0  0 
 23 24  1  1  0  0  0 
 25 24  1  1  0  0  0 
 25 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 24 30  1  0  0  0  0 
 25 18  1  0  0  0  0 
 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  SBV   1 34   -6.1232    4.4048 
S  SKP  8 
ID	FL5F1CGS0001 
KNApSAcK_ID	C00005301 
NAME	Fisetin 7-glucoside 
CAS_RN	- 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	c(c4)(cc(c(O)c4)O)C(=C3O)Oc(c(C3=O)2)cc(cc2)OC(O1)C(O)C(O)C(O)C1CO 
M  END
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