Mol:FL7AAIGO0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
   -2.2947    0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2947   -0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655    0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800    0.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1509   -1.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636   -0.7618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5636    0.0632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1509    0.4758    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    1.2779    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    0.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    0.4756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7343    1.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    1.7370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2779    1.3166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3983    1.6999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5800   -1.9991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0088    0.4756    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3492   -1.1712    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359   -2.5201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236   -2.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6054   -2.1536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8236   -1.3854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1359   -0.9884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3540   -1.7520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2747   -1.7531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1496   -3.3340    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7713   -3.5909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1207   -2.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0705   -2.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5938   -2.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9072   -2.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2448   -2.3881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7262   -1.9066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269   -2.2236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7750   -2.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2693   -2.5961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2857   -2.8301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    2.4384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5729    3.5909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8437   -1.6726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5929   -0.9233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4906    0.0390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7750    0.0390    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 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 11  1  0  0  0  0
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  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 25  1  0  0  0  0
 25 26  1  1  0  0  0
 26 21  1  1  0  0  0
 26 27  1  0  0  0  0
 21 28  1  0  0  0  0
 22 29  1  0  0  0  0
 23 30  1  0  0  0  0
 25 20  1  0  0  0  0
 20  8  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 36  1  0  0  0  0
 36 31  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 18  1  0  0  0  0
 40 41  1  0  0  0  0
 15 40  1  0  0  0  0
 42 43  1  0  0  0  0
 36 42  1  0  0  0  0
 44 45  1  0  0  0  0
 13 44  1  0  0  0  0
M  CHG  1  10   1
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    0.0000   -0.7014
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  42  43
M  SBL   2  1  47
M  SMT   2 ^ CH2OH
M  SBV   2  47    0.5169   -0.5509
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  44  45
M  SBL   3  1  49
M  SMT   3  OCH3
M  SBV   3  49   -0.7563    0.4366
S  SKP  5
ID	FL7AAIGS0004
FORMULA	C29H35O16
EXACTMASS	639.192510072
AVERAGEMASS	639.5785999999999
SMILES	Oc(c4)cc(c3c4OC(C(O)5)OC(C(C(O)5)O)CO)[o+1]c(c(c3)OC(O2)C(O)C(O)C(C(C)2)O)c(c1)cc(OC)c(c(OC)1)O
M  END

</pre>