Mol:FL6F1CGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 31 35  0  0  0  0  0  0  0  0999 V2000 
   -1.0673   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0673   -1.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3529   -1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3615   -1.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3615   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3529    0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0759   -1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7904   -1.0364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7904   -0.2114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0759    0.2011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5048    0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2252   -0.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9456    0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9456    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.2252    1.4488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5048    1.0329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.4720   -0.1083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9889    0.4088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6338    0.0684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0780    0.0276    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6141   -0.3398    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5120   -0.5790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7367   -0.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    5.2257    0.6171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.7367    1.2900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1265    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2257    0.8697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
 10  5  1  0  0  0  0 
  9 11  1  6  0  0  0 
 11 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 11  1  0  0  0  0 
  1 17  1  0  0  0  0 
 18 19  1  1  0  0  0 
 19 20  1  1  0  0  0 
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 21 22  1  0  0  0  0 
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 18 24  1  0  0  0  0 
 19 25  1  0  0  0  0 
 20 26  1  0  0  0  0 
 21 17  1  0  0  0  0 
 13 27  1  0  0  0  0 
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 28 29  1  0  0  0  0 
 29 14  1  0  0  0  0 
 30 31  1  0  0  0  0 
 23 30  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  35 
M  SMT   1 ^CH2OH 
M  SBV   1  35    0.4927   -0.5069 
S  SKP  5 
ID	FL6F1CGS0001 
FORMULA	C22H24O9 
EXACTMASS	432.14203236599997 
AVERAGEMASS	432.42056 
SMILES	O(C1)c(c2)c(ccc2C(O3)CCc(c4)c(cc(OC(C(O)5)OC(CO)C(O)C5O)c4)3)O1 
M  END