Mol:FL5F3CNS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.0746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.2102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.0746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.2529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.0745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191    0.0745    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5191    1.0564    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.7110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1286    0.6476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6920    1.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9942   -1.8890    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 
 15 19  1  0  0  0  0 
 16 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  23  24 
M  SBL   2  1  25 
M  SMT   2  OCH3 
M  SVB   2 25    0.4611   -1.0952 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  21  22 
M  SBL   1  1  23 
M  SMT   1  OCH3 
M  SVB   1 23   -1.1286    0.6476 
S  SKP  8 
ID	FL5F3CNS0004 
KNApSAcK_ID	C00004663 
NAME	7,3',4'-Trihydroxy-3,8-dimethoxyflavone 
CAS_RN	38510-52-0 
FORMULA	C17H14O7 
EXACTMASS	330.073952802 
AVERAGEMASS	330.28886 
SMILES	COc(c(O)3)c(O1)c(cc3)C(=O)C(OC)=C1c(c2)cc(O)c(O)c2 
M  END