Mol:FL3FCACS0013

<pre>

Copyright: ARM project http://www.metabolome.jp/
 41 45  0  0  0  0  0  0  0  0999 V2000
   -1.2196   -0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2196   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2093   -0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -0.5187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -2.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6382   -1.7562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6382   -0.9313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -0.5187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9238   -2.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2989    2.6640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767    2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7468    1.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7379    0.4076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1428    1.0027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5346    1.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4518    2.6078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1214    2.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2521    0.4914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5051   -2.9933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643   -0.8211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172   -0.3864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0172    0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2643    0.9176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    0.4829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7696    0.9174    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7352    0.9036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3750    0.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6526    0.3448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9990    0.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3894    0.7945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0359    0.5867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3936    0.7646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0498    0.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485   -0.1894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7769   -0.5943    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6850   -1.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6273    1.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7696    1.8771    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
 12 13  1  1  0  0  0
 13 14  1  1  0  0  0
 15 14  1  1  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
  6 15  1  0  0  0  0
  3 21  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
  9 22  1  0  0  0  0
 25 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 20  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
 34 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    0.5573   -0.3370
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    0.5914   -0.7033
S  SKP  5
ID	FL3FCACS0013
FORMULA	C27H30O14
EXACTMASS	578.163555668
AVERAGEMASS	578.5187000000001
SMILES	O=C(c25)C=C(Oc2c(c(OC)cc5O)C(O4)C(C(O)C(C4)O)OC(O3)C(O)C(O)C(C3CO)O)c(c1)ccc(O)c1
M  END

</pre>