Mol:FL3FGCNS0003

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 25 27  0  0  0  0  0  0  0  0999 V2000 
   -1.3011   -1.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7552   -1.3973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3757   -1.5636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5420   -2.1841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0878   -2.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4673   -2.4720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1625   -2.3503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3287   -2.9708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8745   -3.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2540   -3.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5166   -1.9962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0407   -4.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6731   -4.2147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8426   -4.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.3796   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7472   -5.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5777   -4.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6808   -1.6853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8298   -1.1095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2844   -5.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5490   -5.9422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.2588   -3.0738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9314   -4.0187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1175   -1.0624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9394   -1.1344    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 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
 15 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26   -2.5983   -0.7269 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -1.0494    0.7182 
S  SKP  8 
ID	FL3FGCNS0003 
KNApSAcK_ID	C00003926 
NAME	5,7,3',4'-Tetrahydroxy-6,8-dimethoxyflavone 
CAS_RN	57093-50-2 
FORMULA	C17H14O8 
EXACTMASS	346.068867424 
AVERAGEMASS	346.28826 
SMILES	COc(c(O)1)c(O)c(C(=O)3)c(OC(=C3)c(c2)cc(O)c(O)c2)c(OC)1 
M  END