Mol:FL3FG9NS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  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 
   -1.0441    1.0800    0.0000 O   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 
   -1.0441   -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 
   -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  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 
  6 18  1  0  0  0  0 
  2 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 
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   -1.9576    0.7355 
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   -1.4805   -1.0073 
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   -2.3149   -0.4342 
S  SKP  8 
ID	FL3FG9NS0002 
KNApSAcK_ID	C00003830 
NAME	8-Hydroxy-5,6,7-trimethoxyflavone 
CAS_RN	73213-65-7 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	O(C=2c(c3)cccc3)c(c1O)c(C(=O)C2)c(c(c1OC)OC)OC 
M  END