Mol:FL5FF9NS0010

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.7790    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7790   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6664    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2227    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4462    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.1101   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1362    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5693    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0023   -0.8467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5083    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6591   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9447   -1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1362    0.7355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6361    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 
  8 18  1  0  0  0  0 
  6 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   -2.1362    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   -1.6591   -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   -0.9447     1.011 
S  SKP  8 
ID	FL5FF9NS0010 
KNApSAcK_ID	C00004560 
NAME	3-Hydroxy-5,7,8-trimethoxyflavone 
CAS_RN	103393-10-8 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(C(O2)=C(C(c(c(OC)3)c2c(c(OC)c3)OC)=O)O)(c1)cccc1 
M  END