Mol:FL5FECGS0056

<pre>

Copyright: ARM project http://www.metabolome.jp/
 48 52  0  0  0  0  0  0  0  0999 V2000
    3.2340    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195    2.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    2.8627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485    2.4502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9485    1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906    1.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3761    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906   -0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383    1.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0528    1.2127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0528    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -0.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0906   -0.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7673    1.6252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5195   -0.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3383   -0.8498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6630    2.8627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2340    3.6877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139    0.0060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7139   -0.7571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9298   -1.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6819   -2.1889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2083   -1.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9851   -1.2746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2330   -0.9348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065   -1.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2373   -1.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -1.2410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8192   -2.5235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1663   -2.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4423   -2.1731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0616   -2.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4747   -2.9752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7622   -2.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742   -2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9981   -2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356   -2.2587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6481   -2.9732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2356   -3.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4106   -3.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4720   -2.9732    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8255   -1.6688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6630   -1.6688    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
 23 24  1  0  0  0  0
 25 26  1  1  0  0  0
 26 27  1  1  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 25  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 25 33  1  0  0  0  0
 26 34  1  0  0  0  0
 27 35  1  0  0  0  0
 28 19  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 40  1  0  0  0  0
 43 46  1  0  0  0  0
 32 36  1  0  0  0  0
 42 47  1  0  0  0  0
 47 48  1  0  0  0  0
S  SKP  8
ID	FL5FECGS0056
KNApSAcK_ID	C00013945
NAME	Patuletin 3-(6''-(E)-feruloylglucoside);Quercetagetin 6-methyl ether 3-(6''-(E)-feruloylglucoside);2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[[6-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]-b-D-glucopyranosyl]oxy]-6-methoxy-4H-1-Benzopyran-4-one
CAS_RN	447440-60-0
FORMULA	C32H30O16
EXACTMASS	670.153384912
AVERAGEMASS	670.571
SMILES	COc(c1)c(ccc1C=CC(OCC(C5O)OC(C(C(O)5)O)OC(C2=O)=C(c(c4)ccc(O)c4O)Oc(c3)c2c(c(OC)c3O)O)=O)O
M  END

</pre>