Mol:FL5FG9NS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.4348    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5464   -0.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0543   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4507   -0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3391   -0.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8312    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0414   -1.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6450   -0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7566   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2645    0.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0456   -1.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3600   -0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8615   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4767   -0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5904    0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0889    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4737    0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7197    0.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1658   -1.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6792    0.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0212    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1865   -0.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6560   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4111   -1.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1771   -2.1776    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 
  3 19  1  0  0  0  0 
  1 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 
 24 25  1  0  0  0  0 
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    0.8237   -0.6973 
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   -2.3149   -0.3996 
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   -1.9576      0.77 
S  SKP  8 
ID	FL5FG9NS0002 
KNApSAcK_ID	C00004586 
NAME	5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one 
CAS_RN	85966-33-2 
FORMULA	C18H16O7 
EXACTMASS	344.089602866 
AVERAGEMASS	344.31543999999997 
SMILES	c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)cccc1 
M  END