Mol:FL3FCBCS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
   -1.8406    1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8406    0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4113    0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4113    1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259    1.7581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180    0.5202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0180    1.3455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    1.7581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034   -0.5357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1259   -0.7173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    1.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650    1.3496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180    1.7845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3180    2.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5650    3.0888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118    2.6540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2090    0.5887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7642    0.0016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1237    0.2507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4561    0.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9547    0.7065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    0.4715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8620    0.4724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4389    0.0686    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4253   -0.2431    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5402   -0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8746   -1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2315   -1.2853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5846   -1.4691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2502   -0.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8933   -1.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3442   -0.8854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3359   -1.3467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930   -1.8780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5523   -2.1042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8509   -2.3994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3510   -2.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8390   -3.0888    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4632    1.7266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1055    2.8391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0278    1.0193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9885    1.4671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0706    3.0885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9885    2.5586    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
  3 12  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 13  9  1  0  0  0  0
 19 20  1  1  0  0  0
 20 21  1  1  0  0  0
 22 21  1  1  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  1  0  0  0
 30 31  1  1  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 28  1  0  0  0  0
 28 34  1  0  0  0  0
 29 35  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 27  1  0  0  0  0
 22  2  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  2  0  0  0  0
 38 37  1  0  0  0  0
 41 42  1  0  0  0  0
  1 41  1  0  0  0  0
 43 44  1  0  0  0  0
 24 43  1  0  0  0  0
 45 46  1  0  0  0  0
 16 45  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  41  42
M  SBL   1  1  46
M  SMT   1 ^ OCH3
M  SBV   1  46    0.6226   -0.3811
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  43  44
M  SBL   2  1  48
M  SMT   2 ^ CH2OH
M  SBV   2  48    0.4188   -0.5478
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  45  46
M  SBL   3  1  50
M  SMT   3  OCH3
M  SBV   3  50   -0.7525   -0.4345
S  SKP  5
ID	FL3FCBCS0007
FORMULA	C31H36O15
EXACTMASS	648.2054204819999
AVERAGEMASS	648.60854
SMILES	C(C(OC(O5)C(OC(C)=O)C(C(C5C)O)O)4)(OC(CO)C(O)C4O)c(c(O)1)c(OC)cc(O2)c1C(C=C2c(c3)ccc(OC)c3)=O
M  END

</pre>