Mol:FL3FF8GS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 35 38  0  0  0  0  0  0  0  0999 V2000 
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    1.0537    0.3285    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3392    0.7410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.9089    2.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.1352    2.5810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0898    0.7410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7293    1.6981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3755    0.7264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8081    0.3590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1894    1.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -5.1352    1.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0  0  0  0 
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  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 
 12 13  2  0  0  0  0 
 13 14  1  0  0  0  0 
 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 22 23  1  1  0  0  0 
 24 23  1  1  0  0  0 
 24 25  1  0  0  0  0 
 25 20  1  0  0  0  0 
 20 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 21 19  1  0  0  0  0 
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 17 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
 23 30  1  0  0  0  0 
 32 33  1  0  0  0  0 
  6 32  1  0  0  0  0 
 34 35  1  0  0  0  0 
  1 34  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  34 
M  SMT   1  CH2OH 
M  SBV   1  34   -0.9696   -0.1680 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  32  33 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SBV   2  36   -0.3711   -0.8553 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  34  35 
M  SBL   3  1  38 
M  SMT   3 ^ OCH3 
M  SBV   3  38    0.5300   -1.0053 
S  SKP  5 
ID	FL3FF8GS0004 
FORMULA	C23H24O12 
EXACTMASS	492.126776232 
AVERAGEMASS	492.42946 
SMILES	OC(C4O)C(OC(CO)C4O)Oc(c(O)1)cccc(C(O3)=CC(=O)c(c32)c(O)cc(c2OC)OC)1 
M  END