Mol:FL5FECNS0023

<pre>

Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -3.2502   -1.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6176   -1.0953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3979   -0.4917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8108    0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4434   -0.1112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6631   -0.7148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5911    0.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0040    1.0961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6366    0.9845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8563    0.3809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0978    0.6910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0494    1.4764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8254    2.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    2.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8910    2.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1149    1.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6941    1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7844    1.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4698   -1.8103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7656   -0.3802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7090   -1.8098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -1.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0647    3.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2383    4.4490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7315    2.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6918    2.3224    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
  8 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 15 23  1  0  0  0  0
 23 24  1  0  0  0  0
 16 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  25  26
M  SBL   3  1  27
M  SMT   3  OCH3
M  SVB   3 27    1.3907    1.7424
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  23  24
M  SBL   2  1  25
M  SMT   2  OCH3
M  SVB   2 25     2.241    1.1662
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23   -2.9555   -0.6877
S  SKP  8
ID	FL5FECNS0023
KNApSAcK_ID	C00004699
NAME	Quercetagetin 6,3',4'-trimethyl ether
CAS_RN	98790-51-3
FORMULA	C18H16O8
EXACTMASS	360.08451748799996
AVERAGEMASS	360.31484
SMILES	c(c3OC)(O)cc(O1)c(c3O)C(C(=C1c(c2)cc(OC)c(OC)c2)O)=O
M  END

</pre>