Mol:FL4DCCGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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    2.2082    0.6573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2082    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.3675    1.1229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0197    2.3292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.6339   -1.3793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
  3  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  4  1  0  0  0  0 
  7 11  2  0  0  0  0 
  9 12  1  6  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 
  8 18  1  1  0  0  0 
 15 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
 16 21  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  1  1  0  0  0 
 24 25  1  1  0  0  0 
 26 25  1  1  0  0  0 
 26 27  1  0  0  0  0 
 27 22  1  0  0  0  0 
 22 28  1  0  0  0  0 
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 26 30  1  0  0  0  0 
 23 18  1  0  0  0  0 
 31 32  1  0  0  0  0 
  6 31  1  0  0  0  0 
 33 34  1  0  0  0  0 
 25 33  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  35 
M  SMT   1 ^ OCH3 
M  SBV   1  35    0.4738   -0.8764 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  37 
M  SMT   2  CH2OH 
M  SBV   2  37   -0.6818   -0.0894 
S  SKP  5 
ID	FL4DCCGS0001 
FORMULA	C22H24O12 
EXACTMASS	480.126776232 
AVERAGEMASS	480.41876 
SMILES	c(c(C(O3)C(C(=O)c(c4O)c3cc(c4)OC)OC(O2)C(O)C(C(C(CO)2)O)O)1)cc(c(c1)O)O 
M  END