Mol:FL5FECNS0037

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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   -0.0158   -0.1713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721    0.1499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5721   -1.6357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072   -0.1776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.1497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6742    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    1.1318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    0.8044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5983    0.4474    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0984    1.3134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3907    1.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8322    2.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  7 11  2  0  0  0  0
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 16 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 22  1  0  0  0  0
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  8 24  1  0  0  0  0
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 26 27  1  0  0  0  0
  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   6 SUP
M  SLB  1   6   6
M  SAL   6  2  28  29
M  SBL   6  1  30
M  SMT   6  OCH3
M  SVB   6 30   -2.1212   -1.2954
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28     2.241    1.1317
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26     0.183   -1.0199
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -2.9555   -0.7222
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22    1.3907    1.7079
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -2.5983    0.4474
S  SKP  8
ID	FL5FECNS0037
KNApSAcK_ID	C00004713
NAME	Quercetagetin hexamethyl ether;3,5,6,7,3',4'-Hexamethoxyflavone;Hexamethylquercetagetin;Oxyayanin B trimethyl ether;2-(3,4-Dimethoxyphenyl)-3,5,6,7-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN	1251-84-9
FORMULA	C21H22O8
EXACTMASS	402.13146768
AVERAGEMASS	402.39458
SMILES	O(C)c(c21)c(c(OC)cc(OC(c(c3)cc(c(c3)OC)OC)=C(C2=O)OC)1)OC
M  END

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