Mol:FL5FELNS0014

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
   -2.0211   -1.8725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2408   -1.2688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8734   -1.1573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2863   -1.6494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0666   -2.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4340   -2.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9189   -1.5378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3318   -2.0299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1121   -2.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4795   -2.7451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0902   -1.0672    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5249   -3.1254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1695   -3.0117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5904   -3.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3665   -4.1284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7217   -4.2422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3009   -3.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0930   -0.5539    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2349   -3.3996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7871   -4.6299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5996   -4.4866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5213   -1.2349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2966   -0.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7536   -4.1999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4737   -2.3317    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7076   -2.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3166   -1.8562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3014   -1.6826    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
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
 22 23  1  0  0  0  0
 17 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
  8 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  28  29
M  SBL   5  1  30
M  SMT   5  OCH3
M  SVB   5 30     0.183    -0.843
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  26  27
M  SBL   4  1  28
M  SMT   4  OCH3
M  SVB   4 28   -2.5983    0.6243
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26     0.183    1.6001
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.9555   -0.5453
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22     2.241    1.3086
S  SKP  8
ID	FL5FELNS0014
KNApSAcK_ID	C00004817
NAME	5,5'-Dihidroxy-3,6,7,2',4'-pentamethoxyflavone
CAS_RN	71827-10-6
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	COc(c3OC)cc(O1)c(c3O)C(C(=C1c(c2OC)cc(O)c(c2)OC)OC)=O
M  END

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