Mol:FL5FABGI0024

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 59 64  0  0  0  0  0  0  0  0999 V2000 
    3.0087    1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2942    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2942    2.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.0087    2.8836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7231    2.4711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7231    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5797    1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8653    1.6461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1508    1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1508    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8653   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5797    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5637    1.6461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2782    1.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2782    0.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5637   -0.0039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8653   -0.7109    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.3266    2.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1889    0.0569    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5637   -0.6795    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9468    1.6197    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5637    2.4095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1670    2.7578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1670    3.4827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5036    3.8657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8540    3.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    5.0311    2.4128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7035    2.2128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2908    1.4981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4925    1.7073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6990    1.4804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1116    2.1952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9100    1.9861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0150    2.7779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.5569    3.0344    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.6027    2.6425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.0311    1.7286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0739    1.0519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2969   -2.0066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1163   -2.1045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4272   -1.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0843   -0.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2649   -0.7427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9539   -1.5072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3102   -1.4937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3218   -1.9195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1636   -2.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7449   -2.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4498   -1.2549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8861   -2.5654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2987   -3.2801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5052   -3.0533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7069   -3.2625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -2.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0877   -2.7746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7102   -3.8794    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0831   -3.6772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8362   -3.1505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6000   -2.6895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  2  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  2  0  0  0  0 
 10 11  1  0  0  0  0 
 11 12  1  0  0  0  0 
 12  7  2  0  0  0  0 
  9 13  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 10  1  0  0  0  0 
 11 17  2  0  0  0  0 
  5 18  1  0  0  0  0 
 12 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 14 21  1  0  0  0  0 
 13 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
 23 24  2  0  0  0  0 
 24 25  1  0  0  0  0 
 24 26  1  0  0  0  0 
 18 27  1  0  0  0  0 
 28 29  1  1  0  0  0 
 29 30  1  1  0  0  0 
 31 30  1  1  0  0  0 
 31 32  1  0  0  0  0 
 32 33  1  0  0  0  0 
 33 28  1  0  0  0  0 
 33 34  1  0  0  0  0 
 34 35  1  0  0  0  0 
 28 36  1  0  0  0  0 
 29 37  1  0  0  0  0 
 30 38  1  0  0  0  0 
 31 21  1  0  0  0  0 
 39 40  1  1  0  0  0 
 40 41  1  1  0  0  0 
 42 41  1  1  0  0  0 
 42 43  1  0  0  0  0 
 43 44  1  0  0  0  0 
 44 39  1  0  0  0  0 
 44 45  1  0  0  0  0 
 45 46  1  0  0  0  0 
 39 47  1  0  0  0  0 
 40 48  1  0  0  0  0 
 41 49  1  0  0  0  0 
 42 19  1  0  0  0  0 
 50 51  1  0  0  0  0 
 51 52  1  1  0  0  0 
 53 52  1  1  0  0  0 
 54 53  1  1  0  0  0 
 54 55  1  0  0  0  0 
 55 50  1  0  0  0  0 
 53 56  1  0  0  0  0 
 52 57  1  0  0  0  0 
 51 58  1  0  0  0  0 
 50 59  1  0  0  0  0 
 54 46  1  0  0  0  0 
S  SKP  5 
ID	FL5FABGI0024 
FORMULA	C39H50O20 
EXACTMASS	838.28954404 
AVERAGEMASS	838.8023000000001 
SMILES	C(=C5c(c6)ccc(OC)c6)(C(c(c(O5)3)c(cc(OC(O4)C(O)C(O)C(O)C(CO)4)c3CC=C(C)C)O)=O)OC(C2O)OC(C(C2O)O)COC(O1)C(C(C(C1C)O)O)O 
M  END