Mol:FL5FACGL0046

<pre>

Copyright: ARM project http://www.metabolome.jp/
 55 60  0  0  0  0  0  0  0  0999 V2000
   -1.1597   -0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1597   -0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453   -1.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692   -0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2692   -0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453    0.3648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837   -1.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.8727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6981   -0.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837    0.3648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9837   -1.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404   -0.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8686    0.3586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8686    1.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    1.6197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4122    1.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4453   -1.9342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6479    1.6493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5062   -1.3150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1404    2.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6245   -0.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2380   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9810   -1.2871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285   -1.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1149   -0.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3719   -1.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9496   -0.8795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8405   -0.4358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7962   -0.9629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0131    0.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6109    0.2848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1311   -0.3485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4403   -0.0798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7736   -0.0726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2580    0.4120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9638    0.1586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3316   -0.0262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8028   -0.3875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6473   -0.6578    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2760   -2.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8640   -1.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1615   -2.1367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6489   -1.6011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0479   -1.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6916   -1.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2242   -1.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6050   -2.4251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8431   -1.7489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641   -1.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3641   -2.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5480    0.7375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7962    1.0399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9910   -1.3668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7528   -1.7079    0.0000 O   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
 19 15  1  0  0  0  0
 20  8  1  0  0  0  0
  4  3  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
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 23 20  1  0  0  0  0
  1 31  1  0  0  0  0
 32 33  1  1  0  0  0
 33 34  1  1  0  0  0
 35 34  1  1  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 32  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 42 43  1  1  0  0  0
 43 44  1  1  0  0  0
 45 44  1  1  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 47 42  1  0  0  0  0
 43 48  1  0  0  0  0
 44 49  1  0  0  0  0
 41 42  1  0  0  0  0
 45 40  1  0  0  0  0
 35 31  1  0  0  0  0
 50 51  1  0  0  0  0
 25 50  1  0  0  0  0
 52 53  1  0  0  0  0
 37 52  1  0  0  0  0
 54 55  1  0  0  0  0
 47 54  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  50  51
M  SBL   1  1  56
M  SMT   1  CH2OH
M  SBV   1  56   -0.6356   -0.0987
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  52  53
M  SBL   2  1  58
M  SMT   2 ^ CH2OH
M  SBV   2  58    0.5842   -0.5790
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  54  55
M  SBL   3  1  60
M  SMT   3 ^ CH2OH
M  SBV   3  60    0.7669   -0.2396
S  SKP  5
ID	FL5FACGL0046
FORMULA	C33H40O22
EXACTMASS	788.201122964
AVERAGEMASS	788.6575
SMILES	OCC(C(O)1)OC(OC(C(O)6)C(OC(CO)C(O)6)Oc(c2)cc(O)c(C3=O)c2OC(c(c5)ccc(c5O)O)=C(OC(O4)C(O)C(C(O)C4CO)O)3)C(O)C(O)1
M  END

</pre>