Mol:FL5FE9NS0009

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.6004    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6004   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4878    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6248    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0685   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3149    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.7479    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1809    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9576    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4575    1.6016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4908   -1.0256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.3569   -1.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0441   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3149   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3068   -0.3073    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 
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 22 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
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   -2.3149   -0.4342 
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   -1.4805   -1.0073 
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    0.8237   -0.7319 
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   -1.9576    0.7355 
S  SKP  8 
ID	FL5FE9NS0009 
KNApSAcK_ID	C00004550 
NAME	3,5,6,7-Tetramethoxyflavone;3,5,6,7-Tetramethoxy-2-phenyl-4H-1-benzopyran-4-one 
CAS_RN	75413-07-9 
FORMULA	C19H18O6 
EXACTMASS	342.110338308 
AVERAGEMASS	342.34262 
SMILES	c(c1OC)c(O2)c(C(C(=C(c(c3)cccc3)2)OC)=O)c(c1OC)OC 
M  END