Mol:FL3FADCS0011

<pre>

Copyright: ARM project http://www.metabolome.jp/
 43 47  0  0  0  0  0  0  0  0999 V2000
   -2.1154    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1154   -0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007    1.2335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289   -0.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436   -0.0045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7436    0.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289    1.2335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0289   -1.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8299    1.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4007   -1.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    1.2599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0440    2.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2908    2.5645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    2.1297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7968    2.5642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3811    0.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9363   -0.5440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2956   -0.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6279   -0.3022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1267    0.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7811   -0.0739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9725   -0.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6317   -0.5183    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6591   -0.7063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8980   -1.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2324   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5892   -1.7486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9422   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -1.3532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2509   -1.5369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5383   -1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6526   -1.8306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9507   -2.4034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9003   -2.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1567    0.6175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2695   -0.0249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3088    0.5245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2695    0.9726    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
  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
  1 12  1  0  0  0  0
  3 13  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 14  9  1  0  0  0  0
 17 20  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  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 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 29  1  0  0  0  0
 24  2  1  0  0  0  0
 40 41  1  0  0  0  0
 16 40  1  0  0  0  0
 42 43  1  0  0  0  0
 26 42  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  45
M  SMT   1  OCH3
M  SBV   1  45   -1.1127    0.6424
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  47
M  SMT   2 ^ CH2OH
M  SBV   2  47    0.5278   -0.5985
S  SKP  5
ID	FL3FADCS0011
FORMULA	C28H32O15
EXACTMASS	608.174120354
AVERAGEMASS	608.54468
SMILES	OC(C1OC(C2O)C(c(c(O)5)c(O)cc(c45)OC(=CC4=O)c(c3)cc(c(O)c3)OC)OC(C(O)2)CO)C(O)C(C(O1)C)O
M  END

</pre>