Mol:FL5FECGS0037

<pre>

Copyright: ARM project http://www.metabolome.jp/
 49 53  0  0  0  0  0  0  0  0999 V2000
   -1.1141    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1141   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -0.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3150   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3150    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996    0.6831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295   -0.9670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440   -0.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7440    0.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295    0.6831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0295   -1.7783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3721    0.4215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004    0.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1004    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3721    2.1033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6438    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3996   -1.7919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2269   -2.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7501   -3.5792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0636   -3.3123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4012   -3.3051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8826   -2.8236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4832   -3.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9433   -3.2561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4669   -3.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4599   -3.7499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6911   -2.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0652   -3.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3459   -3.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6223   -3.2098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2483   -2.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9675   -2.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8723   -3.5753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7284   -3.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4019   -2.6519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6771   -3.8918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3735    2.7393    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9404    3.8918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7875    0.6593    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4296    1.7718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4966   -0.9889    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0458   -2.1501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1842   -2.5293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5467   -1.5336    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6588    2.0052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9433    2.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8039   -0.9527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7996   -0.5905    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
  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
  4  3  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 30 34  1  0  0  0  0
 29 35  1  0  0  0  0
 28 36  1  0  0  0  0
 31 37  1  0  0  0  0
 18 32  1  0  0  0  0
 35 22  1  0  0  0  0
 38 39  1  0  0  0  0
 16 38  1  0  0  0  0
 40 41  1  0  0  0  0
  1 40  1  0  0  0  0
 42 43  1  0  0  0  0
  8 42  1  0  0  0  0
 44 45  1  0  0  0  0
 24 44  1  0  0  0  0
 46 47  1  0  0  0  0
 15 46  1  0  0  0  0
 48 49  1  0  0  0  0
  2 48  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  43
M  SMT   1  OCH3
M  SBV   1  43   -0.0014   -0.6359
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  45
M  SMT   2 ^ OCH3
M  SBV   2  45    0.6734   -0.3888
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  42  43
M  SBL   3  1  47
M  SMT   3  OCH3
M  SBV   3  47   -0.7526    0.4345
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  44  45
M  SBL   4  1  49
M  SMT   4 ^ CH2OH
M  SBV   4  49    0.7010   -0.6113
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  46  47
M  SBL   5  1  51
M  SMT   5  OCH3
M  SBV   5  51   -0.5585   -0.3224
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  48  49
M  SBL   6  1  53
M  SMT   6 ^ OCH3
M  SBV   6  53    0.6898    0.3983
S  SKP  5
ID	FL5FECGS0037
FORMULA	C32H40O17
EXACTMASS	696.226549854
AVERAGEMASS	696.6497999999999
SMILES	O(C(OC(C5C)C(C(C(O5)Oc(c(OC)4)c(C2=O)c(cc(OC)4)OC(c(c3)cc(c(OC)c3)OC)=C2OC)O)O)1)C(C(O)C(O)C1O)CO
M  END

</pre>