Mol:FL3FAIGS0005

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
   -1.5242   -0.6589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5242   -1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1589   -0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -0.3271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -1.9038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067   -1.5096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067   -0.7214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -0.3271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5239   -2.7293    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8891   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849   -0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2806   -0.3273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2806    0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    0.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8891    0.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8415   -2.6905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1499    0.9780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887   -0.2531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0374   -0.1862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5171   -0.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7679   -0.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0450   -0.5738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5703   -0.0484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3356   -0.3231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0195    0.1837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2855   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1014   -1.0126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4384   -1.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8295   -2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0773   -2.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3206   -2.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294   -1.6992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6816   -1.9142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2880   -1.7733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4069   -2.1729    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6416   -2.7651    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3605   -3.1001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0960   -0.7980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4069   -1.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5849    1.7053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1727    3.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916    0.4818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6916    1.4908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1129    1.3083    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
  9 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  1  1  0  0  0  0
 21 22  1  1  0  0  0
 22 23  1  1  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 22 28  1  0  0  0  0
 23 29  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  1  0  0  0
 32 33  1  1  0  0  0
 34 33  1  1  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 30 36  1  0  0  0  0
 31 37  1  0  0  0  0
 32 38  1  0  0  0  0
 33 39  1  0  0  0  0
 34 29  1  0  0  0  0
 24 20  1  0  0  0  0
 40 41  1  0  0  0  0
 14 40  1  0  0  0  0
 42 43  1  0  0  0  0
 16 42  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 26 44  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  40  41
M  SBL   1  1  45
M  SMT   1  OCH3
M  SBV   1  45   -0.8154    0.4708
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  47
M  SMT   2  OCH3
M  SBV   2  47    0.0000   -0.8275
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  3  44  45  46
M  SBL   3  1  50
M  SMT   3 ^ COOH
M  SBV   3  50    0.3560   -0.8049
S  SKP  5
ID	FL3FAIGS0005
FORMULA	C29H32O17
EXACTMASS	652.163949598
AVERAGEMASS	652.55418
SMILES	c(C(O2)=CC(=O)c(c5O)c2cc(c5)OC(C(OC(C(O)4)OC(C)C(C4O)O)3)OC(C(O)C3O)C(O)=O)(c1)cc(OC)c(c(OC)1)O
M  END

</pre>