Mol:FL3FE8GS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
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   -0.0621   -0.6434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.3399    0.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6390    0.5709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.7421    0.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0410    0.5709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0410   -1.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.7786    0.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8044    0.9597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2657    1.8480    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
  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 
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  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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 22 18  1  0  0  0  0 
 17 28  1  0  0  0  0 
  3 29  1  0  0  0  0 
  2 30  1  0  0  0  0 
 31 32  2  0  0  0  0 
 31 33  1  0  0  0  0 
 24 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    0.6280   -0.5705 
S  SKP  5 
ID	FL3FE8GS0001 
FORMULA	C21H18O12 
EXACTMASS	462.07982604 
AVERAGEMASS	462.36042 
SMILES	C(C(C(O)=O)4)(O)C(C(C(O4)Oc(c1O)cc(O2)c(C(=O)C=C(c(c(O)3)cccc3)2)c1O)O)O 
M  END