Mol:FL3FCACS0015

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
   -0.8217    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8217   -0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955   -0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5955    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131    0.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -0.6798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127   -0.2707    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0127    0.5476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041    0.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3041   -1.3178    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1131   -1.4977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8786    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    0.6567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3720    1.0879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3720    1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    2.3812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8786    1.9501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1183    2.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8267   -0.2109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699   -0.9465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5132   -0.5524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6199   -0.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2504   -0.0796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9598   -0.4211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4880   -0.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9456   -0.9292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7464   -1.0920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5250   -1.5981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8682   -2.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2115   -1.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3182   -2.0448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487   -1.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6581   -1.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1183   -1.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6865   -2.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5891   -2.4173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2768    1.3357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9139    2.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7080    0.1824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9191    0.5770    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
  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
  9 13  1  0  0  0  0
 16 19  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 20  1  0  0  0  0
 20 26  1  0  0  0  0
 21 27  1  0  0  0  0
  2 23  1  0  0  0  0
 22 28  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 34  1  0  0  0  0
 34 29  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 28  1  0  0  0  0
 38 39  1  0  0  0  0
  1 38  1  0  0  0  0
 40 41  1  0  0  0  0
 25 40  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  38  39
M  SBL   1  1  43
M  SMT   1 ^ OCH3
M  SBV   1  43    0.4551   -0.7881
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  45
M  SMT   2 ^ CH2OH
M  SBV   2  45    0.7483   -0.6035
S  SKP  5
ID	FL3FCACS0015
FORMULA	C27H30O14
EXACTMASS	578.163555668
AVERAGEMASS	578.5187000000001
SMILES	c(c21)(O)c(C(O4)C(OC(O5)C(C(O)C(O)C5)O)C(O)C(C(CO)4)O)c(cc1OC(c(c3)ccc(c3)O)=CC2=O)OC
M  END

</pre>