Mol:FL3FACGS0042

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
   -4.0887   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0887   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7756   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7756   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -0.8935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624   -2.0307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4624   -1.2725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -0.8935    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1190   -3.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061   -0.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370   -1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5322   -0.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5322   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1370    0.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8061   -0.1210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8449   -0.8360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4321   -3.1664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2633    0.2859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4516    0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7988    0.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5266    0.1040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9028    0.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1794    0.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5893    0.6494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4922    1.0064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9343    1.5094    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9426    2.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0558    1.8061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3482    1.4947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8513    1.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8512    1.7230    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5585    2.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6372    3.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5297    2.4532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2149    0.6083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1392    0.8840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4446    0.3295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8449    1.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8449   -0.3639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5383    2.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3311    1.9343    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3116    2.9147    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
 18  1  1  0  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 25 29  1  0  0  0  0
 22 20  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  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
 39 16  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 24 40  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 35 43  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  3  40  41  42
M  SBL   1  1  46
M  SMT   1 COOH
M  SBV   1  46   -0.9180   -0.2255
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  3  43  44  45
M  SBL   2  1  49
M  SMT   2 COOH
M  SBV   2  49   -0.0202   -0.6509
S  SKP  5
ID	FL3FACGS0042
FORMULA	C27H26O18
EXACTMASS	638.111914028
AVERAGEMASS	638.4845399999999
SMILES	Oc(c1)cc(c(C(=O)5)c1OC(=C5)c(c2)ccc(OC(C4O)OC(C(O)=O)C(O)C(O)4)c2OC(C3O)OC(C(O)=O)C(C3O)O)O
M  END

</pre>