Mol:FL3FGGNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 30 32  0  0  0  0  0  0  0  0999 V2000
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   -2.0624   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -1.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1628   -0.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1628   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8528    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2859    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7189    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7188    1.3044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0107    2.6052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -2.1349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5061   -3.1349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4197    0.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9198    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2281    0.7229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7916    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7769   -0.7222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7188   -0.3504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5848   -0.8504    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
 15 18  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
  3 21  1  0  0  0  0
 21 22  1  0  0  0  0
  1 23  1  0  0  0  0
 23 24  1  0  0  0  0
  6 25  1  0  0  0  0
 25 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 14 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  29  30
M  SBL   6  1  31
M  SMT   6  OCH3
M  SVB   6 31    2.0624   -0.0565
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  27  28
M  SBL   5  1  29
M  SMT   5  OCH3
M  SVB   5 29   -2.7769   -0.7222
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  25  26
M  SBL   4  1  27
M  SMT   4  OCH3
M  SVB   4 27   -1.2281    0.7229
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  23  24
M  SBL   3  1  25
M  SMT   3  OCH3
M  SVB   3 25   -2.4197    0.4474
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -1.9425   -1.2954
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    1.5693    1.7079
S  SKP  8
ID	FL3FGGNS0004
KNApSAcK_ID	C00003973
NAME	4'-Hydroxy-5,6,7,8,3',5'-hexamethoxyflavone
CAS_RN	85644-03-7
FORMULA	C21H22O9
EXACTMASS	418.126382302
AVERAGEMASS	418.39398
SMILES	O(C)c(c31)c(c(c(OC)c(C(=O)C=C(O3)c(c2)cc(OC)c(O)c2OC)1)OC)OC
M  END

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