Mol:FL5FDDNM0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
   -1.9630   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9630   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8504   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.1844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.1003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2622   -0.1368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941    0.1844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2941   -1.6012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853   -0.1431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.1843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9523    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3853    1.1663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8183    0.8390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067   -1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9523    0.8390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.5191   -1.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4067    0.8265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.3202    0.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8201    1.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1282   -1.2791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9943   -1.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1101    2.6397    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 
  3 18  1  0  0  0  0 
 15 19  1  0  0  0  0 
  2 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
  1 22  1  0  0  0  0 
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 24 25  1  0  0  0  0 
 16 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28    1.6687    1.7424 
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    0.4611   -0.9854 
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   -2.3202     0.482 
S  SKP  8 
ID	FL5FDDNM0005 
KNApSAcK_ID	C00004906 
NAME	5,4'-Dihydroxy-3,7,3'-trimethoxy-6,8-dimethylflavone 
CAS_RN	99339-46-5 
FORMULA	C20H20O7 
EXACTMASS	372.120902994 
AVERAGEMASS	372.3686 
SMILES	COc(c3C)c(c(O1)c(c3O)C(C(=C1c(c2)cc(c(O)c2)OC)OC)=O)C 
M  END