Mol:FL5FF8NSH001

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FL5FF8NSH001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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    1.4296    1.6318    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8522    0.6584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.2651   -1.2653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.4598    1.2974    0.0000 C   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 
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  5  6  1  0  0  0  0 
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  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -1.9599    0.4313 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25     0.542   -0.9716 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -0.8522    0.6584 
S  SKP  8 
ID	FL5FF8NSH001 
KNApSAcK_ID	C00001026 
NAME	Chlorflavonin 
CAS_RN	23363-64-6 
FORMULA	C18H15ClO7 
EXACTMASS	378.050630544 
AVERAGEMASS	378.76019999999994 
SMILES	c(c1OC)(OC)cc(c(C2=O)c(OC(c(c(O)3)cccc3Cl)=C2OC)1)O 
M  END
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