Mol:FL5FECGS0020

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
   -2.2155    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155   -0.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7865   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7866    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010    0.9958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -0.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6422   -0.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6422    0.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723    0.9958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0723   -1.3702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    0.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846    0.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    0.9956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8127    1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846    2.2567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3563    1.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448   -0.7990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5010   -1.4103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268    2.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0846    3.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905   -2.6550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3327   -3.0972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1495   -2.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7114   -1.2898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3778   -2.6668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7141   -1.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8592   -1.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8907   -0.6316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0791   -1.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2388   -2.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3101   -2.1597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9846    1.0274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6268    2.1396    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
  8 18  1  0  0  0  0
  3 19  1  0  0  0  0
 20 15  1  0  0  0  0
 16 21  1  0  0  0  0
 27 22  1  1  0  0  0
 26 22  1  1  0  0  0
 25 27  1  1  0  0  0
 22 23  1  0  0  0  0
 27 24  1  0  0  0  0
 28 25  1  0  0  0  0
 26 28  1  0  0  0  0
 25 18  1  0  0  0  0
 29 30  1  0  0  0  0
  2 29  1  0  0  0  0
 31 32  1  0  0  0  0
 22 31  1  0  0  0  0
 33 34  1  0  0  0  0
  1 33  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  29  30
M  SBL   1  1  33
M  SMT   1 ^ OCH3
M  SBV   1  33    0.6752    0.3898
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  31  32
M  SBL   2  1  35
M  SMT   2 ^ CH2OH
M  SBV   2  35    0.6518   -0.6518
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  33  34
M  SBL   3  1  37
M  SMT   3 ^ OCH3
M  SBV   3  37    0.7692   -0.4441
S  SKP  5
ID	FL5FECGS0020
FORMULA	C22H22O12
EXACTMASS	478.111126168
AVERAGEMASS	478.40288000000004
SMILES	c(c(C(=C(OC(O4)C(C(O)(CO)C4)O)3)Oc(c2C3=O)cc(c(c2O)OC)OC)1)cc(c(c1)O)O
M  END

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