Mol:FL3FF9GS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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    1.0741    2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  2  3  2  0  0  0  0 
  3  4  1  0  0  0  0 
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  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 12  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 
 20 21  1  1  0  0  0 
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 25 29  1  0  0  0  0 
 32 33  1  0  0  0  0 
  6 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  29  30  31 
M  SBL   1  1  34 
M  SMT   1 ^ COOH 
M  SBV   1  34    0.7444   -0.6884 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SBV   2  36    0.0000   -0.7619 
S  SKP  5 
ID	FL3FF9GS0005 
FORMULA	C22H20O11 
EXACTMASS	460.100561482 
AVERAGEMASS	460.3876 
SMILES	c(C(=O)3)(c(O)1)c(OC(c(c4)cccc4)=C3)c(OC)c(OC(O2)C(O)C(C(O)C2C(O)=O)O)c1 
M  END