Mol:FL3FAAGS0015

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    5.1440    1.1444    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 
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  4  5  2  0  0  0  0 
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  6  1  2  0  0  0  0 
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  7  8  1  0  0  0  0 
  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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  1 18  1  0  0  0  0 
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 30 31  2  0  0  0  0 
 30 32  1  0  0  0  0 
 24 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  3  30  31  32 
M  SBL   1  1  35 
M  SMT   1 COOH 
M  SBV   1  35   -0.7751    0.0507 
S  SKP  5 
ID	FL3FAAGS0015 
FORMULA	C21H18O11 
EXACTMASS	446.084911418 
AVERAGEMASS	446.36102 
SMILES	C(C(Oc(c4)ccc(c4)C(=C2)Oc(c3)c(c(cc(O)3)O)C(=O)2)1)(O)C(O)C(C(C(O)=O)O1)O 
M  END