Mol:FL3FFAGS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -1.2241   -2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5230   -2.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5230   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2241   -0.9023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.8791   -2.1166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8791   -1.3072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1781   -0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5799   -0.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.7021    2.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5240   -0.0003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3653    2.4557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1408    2.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8525    3.3438    0.0000 O   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 
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  8  9  2  0  0  0  0 
  9 10  1  0  0  0  0 
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  7 11  2  0  0  0  0 
  9 12  1  0  0  0  0 
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 20  1  1  0  0  0  0 
  6 21  1  0  0  0  0 
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 25 21  1  0  0  0  0 
 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   -0.1866   -0.9071 
S  SKP  5 
ID	FL3FFAGS0002 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c12)c(cc(O)c(C(=O)C=C(c(c3)ccc(O)c3)O2)1)O)O)O 
M  END