Mol:FL5FEAGS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 35 38  0  0  0  0  0  0  0  0999 V2000
   -3.5198    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5198   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185   -0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185    0.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160   -0.9412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147   -0.5363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7147    0.2734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160    0.6783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4160   -1.7309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    0.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    0.6782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4158    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7010    1.9161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0137    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2545    0.6976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0817   -1.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3995   -0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8506   -0.9821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7960   -1.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2847   -0.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3450   -0.6728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4830   -0.6498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -0.0132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9314   -0.4043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1303    1.9159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8185   -1.7506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7345   -1.0155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2545   -0.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2545   -1.9161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2158   -0.9381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3152   -1.4581    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
 23 22  1  1  0  0  0
 15 29  1  0  0  0  0
  3 30  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 23 31  1  0  0  0  0
 34 35  1  0  0  0  0
  2 34  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  31  32  33
M  SBL   1  1  36
M  SMT   1 COOH
M  SBV   1  36   -0.9385   -0.2351
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  34  35
M  SBL   2  1  38
M  SMT   2 ^OCH3
M  SBV   2  38    0.6960    0.4018
S  SKP  5
ID	FL5FEAGS0007
FORMULA	C22H20O13
EXACTMASS	492.090390726
AVERAGEMASS	492.3864
SMILES	c(c1)(ccc(C(O3)=C(OC(C(O)4)OC(C(O)C4O)C(O)=O)C(=O)c(c32)c(c(OC)c(c2)O)O)c1)O
M  END

</pre>