Mol:FL5FAAGL0071

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
   -3.2010    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2010    1.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    0.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0884    1.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0884    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    2.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321    0.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9758    1.3049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9758    1.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321    2.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321    0.4829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1472    1.9410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    2.2683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7142    2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1472    3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4197    2.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3277    0.7546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7177    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3301    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0755    0.7876    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2132    1.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4677    1.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0094    1.0512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7365    1.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6995    1.1157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2810    3.2503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6447    0.3416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8120    2.1458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4544    0.5746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000   -0.0240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7596   -0.7959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247   -0.7959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408   -1.2496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1408   -1.9096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5093   -2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457   -1.9488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -2.2742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3822   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9457   -3.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5093   -2.9250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1811   -3.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927    1.5348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8120    1.1772    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1927    2.1566    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  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
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 23 22  1  1  0  0  0
 23 24  1  0  0  0  0
 24 19  1  0  0  0  0
 19 25  1  0  0  0  0
 24 26  1  0  0  0  0
 23 27  1  0  0  0  0
 20 18  1  0  0  0  0
 18  8  1  0  0  0  0
 22 21  1  1  0  0  0
 15 28  1  0  0  0  0
  3 29  1  0  0  0  0
  1 30  1  0  0  0  0
 22 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 37  1  0  0  0  0
 40 43  1  0  0  0  0
 27 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
S  SKP  8
ID	FL5FAAGL0071
KNApSAcK_ID	C00005853
NAME	Kaempferol 3-(4''-acetyl-6''-p-coumarylglucoside)
CAS_RN	115651-95-1
FORMULA	C32H28O14
EXACTMASS	636.147905604
AVERAGEMASS	636.55632
SMILES	c(O)(c1)ccc(C(=C(OC(O4)C(O)C(C(OC(C)=O)C4COC(=O)C=Cc(c5)ccc(O)c5)O)3)Oc(c(C3=O)2)cc(cc(O)2)O)c1
M  END

</pre>