Mol:FL5FACGL0049

<pre>

Copyright: ARM project http://www.metabolome.jp/
 54 59  0  0  0  0  0  0  0  0999 V2000
   -2.1853   -1.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1853   -2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706   -3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560   -2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7560   -1.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706   -1.5172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -3.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733   -2.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733   -1.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0414   -3.8111    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016   -1.7789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -1.3584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016   -0.0969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -0.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4706   -3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8095   -0.0673    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8211   -1.5172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3969   -3.2811    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3016    0.7439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2807   -1.4107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995   -1.8039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -1.0477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995   -0.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2807    0.1066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0646   -0.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1119    0.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5995    0.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6760   -0.1570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8547   -1.4425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6145    3.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1184    2.7912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6680    2.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6002    1.3928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1403    2.0400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4921    2.6571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8001    3.9926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1803    3.5917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4559   -2.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693   -3.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8125   -3.1900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5602   -3.4025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467   -2.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2036   -2.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6158   -2.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5094   -2.4155    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5056   -2.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1250    1.5691    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1864    3.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2687    2.7969    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2625   -3.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1803   -3.7757    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  1  1  0  0  0  0
 21  8  1  0  0  0  0
  4  3  1  0  0  0  0
 16 22  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 23  1  1  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  0  0  0  0
 23 32  1  0  0  0  0
 20 24  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 33 39  1  0  0  0  0
 34 40  1  0  0  0  0
 36 29  1  0  0  0  0
 41 42  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 41  1  0  0  0  0
 41 47  1  0  0  0  0
 46 48  1  0  0  0  0
 45 49  1  0  0  0  0
 42 21  1  0  0  0  0
 35 50  1  0  0  0  0
 51 52  1  0  0  0  0
 38 51  1  0  0  0  0
 53 54  1  0  0  0  0
 44 53  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  51  52
M  SBL   1  1  57
M  SMT   1 CH2OH
M  SBV   1  57   -0.3057   -0.6697
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  53  54
M  SBL   2  1  59
M  SMT   2 CH2OH
M  SBV   2  59   -0.7024   -0.1567
S  SKP  5
ID	FL5FACGL0049
FORMULA	C33H40O21
EXACTMASS	772.206208342
AVERAGEMASS	772.6581
SMILES	C(=C5c(c6)cc(c(c6)O)O)(C(=O)c(c4O5)c(cc(c4)OC(C(O)2)OC(C)C(OC(C(O)3)OC(CO)C(O)C3O)C2O)O)OC(O1)C(O)C(C(O)C1CO)O
M  END

</pre>