Mol:FL3FEAGS0006

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FL3FEAGS0006.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -3.5005    1.7592    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 
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  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 
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  2 21  1  0  0  0  0 
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 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 27 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  31  32  33 
M  SBL   1  1  36 
M  SMT   1 ^COOH 
M  SBV   1  36    0.5641   -0.6083 
S  SKP  5 
ID	FL3FEAGS0006 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c3)ccc(O)c3)2)c1O)O)O 
M  END
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