Mol:FL3FA8GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 32 35  0  0  0  0  0  0  0  0999 V2000 
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    1.9631    0.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9645   -1.8881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3653    0.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0801    0.0544    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 
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  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 
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  7 11  2  0  0  0  0 
  9 12  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    0.7858   -0.7263 
S  SKP  5 
ID	FL3FA8GS0001 
FORMULA	C21H18O11 
EXACTMASS	446.084911418 
AVERAGEMASS	446.36102 
SMILES	c(C(=C4)Oc(c3C(=O)4)cc(cc(O)3)OC(C(O)2)OC(C(O)=O)C(O)C2O)(c(O)1)cccc1 
M  END