Mol:FL2FAFGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 34 37  0  0  0  0  0  0  0  0999 V2000 
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   -1.2909    0.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1783   -0.6114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3780   -0.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3780    0.3521    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0 
   -0.1783    0.6733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9341    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5011    0.3459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0681    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0681    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5011    1.6552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9341    1.3279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1783   -1.1552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4033    0.6732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2909   -1.2535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.7506   -0.7010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0681    1.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.0681    1.3279    0.0000 C   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  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  9 11  1  0  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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 20 21  1  1  0  0  0 
 21 22  1  1  0  0  0 
 23 22  1  1  0  0  0 
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M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  31  32 
M  SBL   3  1  34 
M  SMT   3  CH2OH 
M  SVB   3 34   -2.7648   -0.8687 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  33  34 
M  SBL   2  1  36 
M  SMT   2  OCH3 
M  SVB   2 36    2.6349    1.6551 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    1.8122    2.2473 
S  SKP  8 
ID	FL2FAFGS0001 
KNApSAcK_ID	C00008302 
NAME	Eriodictyol 3',4'-dimethyl ether 5-O-glucoside 
CAS_RN	70863-87-5 
FORMULA	C23H26O11 
EXACTMASS	478.147511674 
AVERAGEMASS	478.44594 
SMILES	C(C(=O)2)C(Oc(c4)c2c(cc4O)O[C@@H]([C@@H](O)3)OC(CO)[C@@H]([C@@H]3O)O)c(c1)cc(c(c1)OC)OC 
M  END