Mol:FL5FECGS0053

<pre>

Copyright: ARM project http://www.metabolome.jp/
 39 42  0  0  0  0  0  0  0  0999 V2000
    3.9208   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    1.3788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353    0.9663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353    0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774    0.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0629   -1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4919   -1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485    0.1413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -0.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3660   -1.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -1.5087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7774   -2.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0805    0.1413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2063   -1.5087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485   -2.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3498    1.3788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    2.2038    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0271   -1.4779    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156    0.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3029   -0.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5046   -0.2681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7111   -0.4950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1237    0.2198    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9221    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0791    0.5966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1988   -0.2457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7516   -0.2182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6761   -0.9080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6679    0.9071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0970    1.6105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7025    2.3337    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9207    1.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3152    0.8673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3498    2.2938    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
 16 20  1  0  0  0  0
  5 21  1  0  0  0  0
  4 22  1  0  0  0  0
 15 23  1  0  0  0  0
 24 25  1  1  0  0  0
 25 26  1  1  0  0  0
 27 26  1  1  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 24  1  0  0  0  0
 29 30  1  0  0  0  0
 24 31  1  0  0  0  0
 25 32  1  0  0  0  0
 26 33  1  0  0  0  0
 18 27  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 34 30  1  0  0  0  0
S  SKP  8
ID	FL5FECGS0053
KNApSAcK_ID	C00013942
NAME	Quercetagetin 7-(6''-isobutyrylglucoside);6-Hydroxyquercetin 7-(6''-isobutyrylglucoside);2-(3,4-Dihydroxyphenyl)-3,5,6-trihydroxy-7-[[6-O-(2-methyl-1-oxopropyl)-beta-D-glucopyranosyl]oxy]-4H-1-benzopyran-4-one
CAS_RN	239133-33-6
FORMULA	C25H26O14
EXACTMASS	550.13225554
AVERAGEMASS	550.4655399999999
SMILES	OC(C(O)4)C(C(OC(COC(=O)C(C)C)4)Oc(c(O)3)cc(O1)c(c(O)3)C(C(=C1c(c2)cc(c(O)c2)O)O)=O)O
M  END

</pre>