Mol:FL5FAAGS0111

<pre>

Copyright: ARM project http://www.metabolome.jp/
 46 50  0  0  0  0  0  0  0  0999 V2000
    1.1286    4.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1286    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5575    4.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8431    4.5077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3004    3.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0148    2.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3004    1.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4141    2.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7293    3.2702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4438    2.8577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4438    2.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7293    1.6202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3004    0.9020    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1582    3.2702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0204    1.6827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582    4.4421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7293    0.9207    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9075   -0.3317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1936    0.4427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422   -1.0837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7599   -1.7473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0978   -2.5065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9259   -2.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2653   -3.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7858   -4.0063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9629   -3.9252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6235   -3.1732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0753   -4.5077    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2659   -0.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0874   -0.7018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312    0.1106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7689    0.7363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9473    0.6604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8034   -0.1520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7998    0.1631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6884   -1.1820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3448   -0.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0895   -0.1215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3395   -1.5749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9219   -1.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4698   -2.0659    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3782   -2.1983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 21  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 26  1  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  1  0  0  0
 36 35  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 33  1  0  0  0  0
 35 39  1  0  0  0  0
 34 40  1  0  0  0  0
 38 41  1  0  0  0  0
 41 42  1  0  0  0  0
 33 43  1  0  0  0  0
 40 44  1  0  0  0  0
 44 45  2  0  0  0  0
 44 46  1  0  0  0  0
 42 22  1  0  0  0  0
 36 19  1  0  0  0  0
S  SKP  8
ID	FL5FAAGS0111
KNApSAcK_ID	C00013778
NAME	Kaempferol 3-(3''-acetyl-6''-p-coumaroylglucoside);3-[[3-O-Acetyl-6-O-[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN	557765-92-1
FORMULA	C32H28O14
EXACTMASS	636.147905604
AVERAGEMASS	636.55632
SMILES	C(OC(C(O)1)C(O)C(OC(=C(c(c5)ccc(O)c5)4)C(c(c3O4)c(O)cc(c3)O)=O)OC1COC(C=Cc(c2)ccc(O)c2)=O)(C)=O
M  END

</pre>