Mol:FL5FFAGS0028

<pre>

Copyright: ARM project http://www.metabolome.jp/
 47 51  0  0  0  0  0  0  0  0999 V2000
    1.4480    4.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4480    3.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8769    3.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8769    4.0755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1625    4.4880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7335    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    3.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6954    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7335    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099    3.2505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243    2.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1243    2.0130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099    1.6005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0191    0.8822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8388    3.2505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4041    1.6258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4777    4.4223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099    0.9009    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4099    3.9045    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4777    2.8816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2733   -0.0672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4419   -0.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0280    0.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8284    0.3033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1132    0.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270    0.1342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0976    0.5625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4565    0.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4494   -0.7275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0762   -0.4796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002   -0.5377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2160   -1.5990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0302   -1.8161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5030   -2.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040   -2.8356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2090   -3.2484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9240   -2.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6380   -3.2502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6370   -4.0752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9220   -4.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2081   -4.0734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3500   -4.4880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4280   -3.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0565   -3.4033    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
 13 22  1  0  0  0  0
 18 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
 30 31  1  0  0  0  0
 24 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 35 36  2  0  0  0  0
 35 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 43  1  0  0  0  0
 43 44  2  0  0  0  0
 44 39  1  0  0  0  0
 42 45  1  0  0  0  0
 41 46  1  0  0  0  0
 46 47  1  0  0  0  0
 34 35  1  0  0  0  0
 27 19  1  0  0  0  0
S  SKP  8
ID	FL5FFAGS0028
KNApSAcK_ID	C00013831
NAME	Herbacetin 7-methyl ether 3-(2''-(E)-feruloylglucoside);5,8-Dihydroxy-3-[[2-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN	190328-85-9
FORMULA	C32H30O15
EXACTMASS	654.15847029
AVERAGEMASS	654.5716
SMILES	OC(C2O)C(C(OC(=C(c(c5)ccc(O)c5)3)C(c(c4O)c(c(c(OC)c4)O)O3)=O)OC(CO)2)OC(=O)C=Cc(c1)cc(OC)c(O)c1
M  END

</pre>