Mol:FL5FGLNS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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   -2.2338    0.7464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6467    1.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2794    1.1269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4991    0.5233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7406    0.8333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6921    1.6188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4682    2.2340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8890    2.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5337    2.6219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7577    2.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3368    1.5051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9545    3.1232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4083   -0.2378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8842    1.0459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6503    0.4032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3518   -1.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8803   -0.1243    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
  3 19  1  0  0  0  0
 17 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
  8 24  1  0  0  0  0
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  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
  6 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   -1.0494    0.8998
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    -2.241    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    0.5403    -0.843
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   -2.5983   -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    0.5403    1.6001
S  SKP  8
ID	FL5FGLNS0002
KNApSAcK_ID	C00004782
NAME	5,4'-Dihydroxy-3,6,7,8,2'-pentamethoxyflavone
CAS_RN	70368-17-1
FORMULA	C20H20O9
EXACTMASS	404.11073223799997
AVERAGEMASS	404.3674
SMILES	c(c1)(O)ccc(C(O3)=C(C(c(c32)c(c(c(c(OC)2)OC)OC)O)=O)OC)c1OC
M  END

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