Mol:FL5FADGA0008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 45 49  0  0  0  0  0  0  0  0999 V2000
    0.1607   -4.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7811   -4.3782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2353   -3.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0691   -3.3035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4486   -3.1373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -3.5915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5233   -2.8493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3570   -2.2289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7366   -2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2824   -2.5168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -2.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4882   -1.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9512   -0.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7817   -0.1755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1494   -0.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3136   -0.4690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1441   -1.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8555   -4.0901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094    0.9599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3819   -4.7545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9008   -1.9149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4355   -0.8653    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1401   -1.3769    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.7082   -1.2146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2796   -1.3769    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5751   -0.8653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0070   -1.0276    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2414   -0.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0478   -0.5616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751   -0.1572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906   -6.8972    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2214   -6.6655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2837   -6.0954    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1556   -5.5958    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6148   -5.8608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4974   -6.3763    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9936   -7.4547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1336   -7.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2921   -5.9326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -1.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4645   -1.7739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7967   -0.0461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5492    0.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2005   -6.9047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -6.9766    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
  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
  4  3  1  0  0  0  0
  1 20  1  0  0  0  0
 21  8  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  1  0  0  0
 26 25  1  1  0  0  0
 26 27  1  0  0  0  0
 27 22  1  0  0  0  0
 22 28  1  0  0  0  0
 27 29  1  0  0  0  0
 26 30  1  0  0  0  0
 21 23  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 20  1  0  0  0  0
 25 40  1  0  0  0  0
 40 41  1  0  0  0  0
 16 42  1  0  0  0  0
 42 43  1  0  0  0  0
 36 44  1  0  0  0  0
 44 45  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  44  45
M  SBL   3  1  48
M  SMT   3  CH2OH
M  SVB   3 48     -3.77     0.661
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  40  41
M  SBL   2  1  44
M  SMT   2  CH2OH
M  SVB   2 44      3.75   -1.3614
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  42  43
M  SBL   1  1  46
M  SMT   1  OCH3
M  SVB   1 46    2.6654    1.8043
S  SKP  8
ID	FL5FADGA0008
KNApSAcK_ID	C00005552
NAME	Isorhamnetin 3-galactoside-7-glucoside
CAS_RN	33906-93-3
FORMULA	C28H32O17
EXACTMASS	640.163949598
AVERAGEMASS	640.54348
SMILES	c(c1)(O)c(C3=O)c(OC(c(c5)cc(OC)c(O)c5)=C3O[C@H](O4)C(C([C@@H](O)[C@H]4CO)O)O)cc(O[C@H](O2)[C@@H](O)[C@@H](O)[C@@H](O)C(CO)2)1
M  END

</pre>