Mol:FL5FEGGS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 42  0  0  0  0  0  0  0  0999 V2000
   -0.7737   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7737   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4515   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8952   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1416    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5746    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0076    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2174   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0093    0.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3846    0.0617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4901   -0.0278    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0744   -0.5766    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4758   -0.3438    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8981   -0.3375    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3179    0.0823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8416   -0.1941    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.1520    0.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4669   -1.0932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5941   -0.8157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0076   -0.3157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8737   -0.8156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5204   -1.3787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3001   -2.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154    1.7537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435    2.5756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3175   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0401    0.6767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9956    0.9717    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
 19 15  1  0  0  0  0
  1 20  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
 24 20  1  0  0  0  0
 14 30  1  0  0  0  0
 30 31  1  0  0  0  0
  2 32  1  0  0  0  0
 32 33  1  0  0  0  0
 16 34  1  0  0  0  0
 34 35  1  0  0  0  0
  8 36  1  0  0  0  0
 36 37  1  0  0  0  0
 26 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  38  39
M  SBL   5  1  41
M  SMT   5  CH2OH
M  SVB   5 41   -3.0401    0.6767
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  36  37
M  SBL   4  1  39
M  SMT   4  OCH3
M  SVB   4 39    1.6504   -0.9854
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  34  35
M  SBL   3  1  37
M  SMT   3  OCH3
M  SVB   3 37     2.858    1.7424
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  32  33
M  SBL   2  1  35
M  SMT   2  OCH3
M  SVB   2 35   -1.5204   -1.3787
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  30  31
M  SBL   1  1  33
M  SMT   1  OCH3
M  SVB   1 33    3.3511    -0.022
S  SKP  8
ID	FL5FEGGS0001
KNApSAcK_ID	C00005792
NAME	6-Hydroxymyricetin 3,6,3',5'-tetramethyl ether 7-glucoside
CAS_RN	67963-63-7
FORMULA	C25H28O14
EXACTMASS	552.147905604
AVERAGEMASS	552.4814200000001
SMILES	c(c1)(c(c(cc1C(=C(OC)4)Oc(c3C4=O)cc(c(c3O)OC)O[C@@H]([C@H]2O)OC(CO)[C@H](O)[C@@H]2O)OC)O)OC
M  END

</pre>