Mol:FL5FECNS0041

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 29  0  0  0  0  0  0  0  0999 V2000 
   -2.1041    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1041   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9915   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9915    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1211   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1211    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4352   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6772    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2442    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8111    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8111    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2442    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.6772    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7009   -0.8320    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4338    0.2355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8186    0.7651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4338    1.2948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6602    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8186   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8105   -0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5478   -2.8468    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 
 14 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
  1 22  1  0  0  0  0 
  2 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
  3 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  25  26 
M  SBL   2  1  28 
M  SMT   2  OCH3 
M  SVB   2 28   -1.9842   -1.0073 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  23  24 
M  SBL   1  1  26 
M  SMT   1  OCH3 
M  SVB   1 26   -2.8186   -0.4342 
S  SKP  8 
ID	FL5FECNS0041 
KNApSAcK_ID	C00005052 
NAME	3,7-Dihydroxy-5,6-dimethoxy-3',4'-methylenedioxyflavone 
CAS_RN	138935-85-0 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(c41)(OCO4)ccc(C(O2)=C(C(c(c3OC)c2cc(c3OC)O)=O)O)c1 
M  END