Mol:FL5FAAGA0021

<pre>

Copyright: ARM project http://www.metabolome.jp/
 53 58  0  0  0  0  0  0  0  0999 V2000
   -1.0369    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0369    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806    0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0757    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806    1.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    0.2915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    0.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1883    1.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320    1.5763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6320   -0.2093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7444    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114    1.2488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    1.5762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8784    2.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114    2.5582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7444    2.2308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4806   -0.3506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5930    1.5762    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4452    2.5581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5825    0.2238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3711   -0.8033    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6996   -0.4157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9127   -1.1611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6996   -1.9111    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.3711   -2.2989    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1581   -1.5533    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1781   -0.0834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7696   -1.6069    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5737   -2.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2482   -0.9052    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9737   -0.9052    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4523   -0.4009    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2740    0.3065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5486    0.3066    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0699   -0.1979    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7371    0.1873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6891   -1.3461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1252   -1.4709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1685   -0.4009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7151    1.2157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3097    0.6805    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.7259    0.9076    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1174    0.9009    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5719    1.3231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1683    1.1090    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2365    1.2614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6924    0.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3914    0.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3128   -1.9265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -2.3388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3889    1.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3646    2.0340    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
  1 19  1  0  0  0  0
 15 20  1  0  0  0  0
  8 21  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
 23 21  1  0  0  0  0
 32 31  1  1  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 31  1  1  0  0  0
 36 37  1  0  0  0  0
 31 38  1  0  0  0  0
 32 39  1  0  0  0  0
 33 40  1  0  0  0  0
 35 28  1  0  0  0  0
 41 42  1  1  0  0  0
 42 43  1  1  0  0  0
 44 43  1  1  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 41  1  0  0  0  0
 41 47  1  0  0  0  0
 42 48  1  0  0  0  0
 43 49  1  0  0  0  0
 44 19  1  0  0  0  0
 25 50  1  0  0  0  0
 50 51  1  0  0  0  0
 46 52  1  0  0  0  0
 52 53  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  52  53
M  SBL   2  1  57
M  SMT   2  CH2OH
M  SVB   2 57   -3.3889     1.815
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  50  51
M  SBL   1  1  55
M  SMT   1  CH2OH
M  SVB   1 55    1.3915   -2.1457
S  SKP  8
ID	FL5FAAGA0021
KNApSAcK_ID	C00005223
NAME	Kaempferol 3-rhamnosyl-(1->2)-galactoside-7-glucoside
CAS_RN	128988-58-9
FORMULA	C33H40O20
EXACTMASS	756.21129372
AVERAGEMASS	756.6587
SMILES	Oc(c1)ccc(C(O2)=C(O[C@H](O6)C(C(O)[C@@H](O)[C@H]6CO)O[C@@H](O5)[C@@H](O)[C@H](O)[C@H](O)C5C)C(c(c3O)c2cc(O[C@@H]([C@@H](O)4)OC(CO)[C@H](O)[C@@H]4O)c3)=O)c1
M  END

</pre>