Mol:FL5FCCGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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   -0.7027    0.6310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.8130   -2.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.4927   -1.1008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.1048   -1.7970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.2562    1.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8863    2.0974    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 
  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 
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 19 25  1  0  0  0  0 
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 23 27  1  0  0  0  0 
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 18  8  1  0  0  0  0 
 21 22  1  1  0  0  0 
 15 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
 16 30  1  0  0  0  0 
 31 32  1  0  0  0  0 
  1 31  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  35 
M  SMT   1 ^ OCH3 
M  SBV   1  35    0.4503   -0.7797 
S  SKP  5 
ID	FL5FCCGS0002 
FORMULA	C21H20O11 
EXACTMASS	448.100561482 
AVERAGEMASS	448.3769 
SMILES	C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(OC)3)O)c(c1)cc(c(O)c1)O 
M  END