Mol:FL3FG9NS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 23 25  0  0  0  0  0  0  0  0999 V2000 
   -2.6096   -0.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9769   -0.8072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.7572   -0.2036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1701    0.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8028    0.1769    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.0225   -0.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9504    0.8921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3633    1.3842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.9960    1.2726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2157    0.6690    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4572    0.9790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.4087    1.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1848    2.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6056    2.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2503    2.7676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.4743    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.0534    1.6508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6548   -0.5382    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1249   -0.0921    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1568   -1.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.9229   -2.0208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.0684   -1.5217    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  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 
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	FL3FG9NS0001 
KNApSAcK_ID	C00003829 
NAME	5,8-Dihydroxy-6,7-dimethoxyflavone;5,8-Dihydroxy-6,7-dimethoxy-2-phenyl-4H-1-benzopyran-4-one 
CAS_RN	73202-52-5 
FORMULA	C17H14O6 
EXACTMASS	314.07903818 
AVERAGEMASS	314.28945999999996 
SMILES	COc(c(OC)1)c(O)c(O2)c(C(=O)C=C(c(c3)cccc3)2)c(O)1 
M  END