Mol:FL4DCBGS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 33 36  0  0  0  0  0  0  0  0999 V2000 
   -2.7485    0.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0445   -0.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3406    0.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3406    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0445    1.5824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7485    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6366   -0.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0674    0.3631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0674    1.1760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6366    1.5824    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6366   -0.7513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8508    1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5653    1.1682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2798    1.5806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2798    2.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5653    2.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8508    2.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8252   -0.2114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.4404   -0.4028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6134   -0.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9388   -0.8690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7839   -1.7690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6110   -2.1560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2857   -1.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9566   -0.8789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8538   -1.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5478   -2.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9989   -2.4849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3171    1.5844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9599    2.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9943    2.8182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.9599    2.2608    0.0000 C   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 
  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 
  2 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 22  1  1  0  0  0 
 23 22  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 
 18 21  1  0  0  0  0 
 22 26  1  0  0  0  0 
 25 27  1  0  0  0  0 
 24 28  1  0  0  0  0 
 23 29  1  0  0  0  0 
 30 31  1  0  0  0  0 
  6 30  1  0  0  0  0 
 32 33  1  0  0  0  0 
 15 32  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 ^ OCH3 
M  SBV   1  34    0.5687   -0.4084 
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   -0.7145   -0.4126 
S  SKP  5 
ID	FL4DCBGS0001 
FORMULA	C23H26O10 
EXACTMASS	462.152597052 
AVERAGEMASS	462.44654 
SMILES	C(O2)(c(c4)ccc(OC)c4)C(C(=O)c(c3O)c2cc(c3)OC)OC(O1)C(O)C(C(O)C(C)1)O 
M  END