Mol:FL3FCFCS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 48 52  0  0  0  0  0  0  0  0999 V2000
   -1.8086    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8086    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3796    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941    1.2949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349   -0.3552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0494    0.0573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0494    0.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    1.2949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349   -0.9985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0941   -1.1799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8432    1.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    0.8865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490    1.3213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3490    2.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5961    2.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8432    2.1907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2178    0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7731   -0.4612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1326   -0.2122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4653   -0.2195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9637    0.2436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6179    0.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8295   -0.0112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4889   -0.3323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549   -0.7265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6934   -1.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0278   -2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3848   -1.8304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7380   -2.0140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4036   -1.4350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0466   -1.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2705   -1.5129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4887   -1.8886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8700   -2.4230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6963   -2.6254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0833    0.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8486    1.2148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5506    1.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1626    1.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5446    2.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4105    1.2013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0529    2.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    2.6251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0192    2.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0502    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1626    0.2418    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
 24 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 43 44  1  0  0  0  0
  1 43  1  0  0  0  0
 45 46  1  0  0  0  0
 16 45  1  0  0  0  0
 47 48  1  0  0  0  0
 15 47  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  43  44
M  SBL   1  1  48
M  SMT   1 ^ OCH3
M  SBV   1  48    0.6019   -0.3189
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  45  46
M  SBL   2  1  50
M  SMT   2  OCH3
M  SBV   2  50   -0.7524   -0.4344
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  47  48
M  SBL   3  1  52
M  SMT   3  OCH3
M  SBV   3  52   -0.7012    0.4373
S  SKP  5
ID	FL3FCFCS0003
FORMULA	C32H38O16
EXACTMASS	678.215985168
AVERAGEMASS	678.63452
SMILES	c(OC)(c1)c(OC)ccc(C(=C5)Oc(c(C5=O)2)cc(OC)c(C(C3OC(C4O)OC(C)C(C4O)O)OC(C(O)C(O)3)COC(C)=O)c(O)2)1
M  END

</pre>