Mol:FL5FADGS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 32 35  0  0  0  0  0  0  0  0999 V2000
   -2.4890    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4890   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879   -0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0869    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879    0.8480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858   -0.7711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152   -0.3663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3152    0.4432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858    0.8479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3858   -1.5100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0161    0.8479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7306    0.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    0.8478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4452    1.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305    2.0854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0160    1.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1898    0.8478    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0445   -0.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5544   -2.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059   -1.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9072   -2.4853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4787   -3.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2271   -3.9976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1259   -3.0258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4511   -1.2584    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5651   -3.4650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0361   -3.7808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1898    2.1028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7879   -1.4855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7305    2.8668    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868    3.9976    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  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
  1 18  1  0  0  0  0
 20 21  1  0  0  0  0
 21 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
 20 26  1  0  0  0  0
 25 27  1  0  0  0  0
 24 28  1  0  0  0  0
 21 19  1  0  0  0  0
 19  8  1  0  0  0  0
 22 23  1  1  0  0  0
 15 29  1  0  0  0  0
  3 30  1  0  0  0  0
 31 32  1  0  0  0  0
 16 31  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  35
M  SMT   1  OCH3
M  SBV   1  35    0.0000   -0.7815
S  SKP  5
ID	FL5FADGS0002
FORMULA	C21H20O11
EXACTMASS	448.100561482
AVERAGEMASS	448.3769
SMILES	C(C(=O)2)(OC(O4)C(O)C(C(O)C4)O)=C(Oc(c3)c2c(cc(O)3)O)c(c1)cc(c(O)c1)OC
M  END

</pre>