Mol:FL3FF9NS0003

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FL3FF9NS0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 22 24  0  0  0  0  0  0  0  0999 V2000 
   -1.6796    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6796   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5670    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1233    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5456    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0107   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2357    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6687    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1017    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.2357    0.4378    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4612    0.6730    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4812    1.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.5597   -1.0073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8452   -1.4198    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 
  6 19  1  0  0  0  0 
 19 20  1  0  0  0  0 
  3 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  21  22 
M  SBL   2  1  23 
M  SMT   2  OCH3 
M  SVB   2 23   -1.5597   -1.0073 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  19  20 
M  SBL   1  1  21 
M  SMT   1  OCH3 
M  SVB   1 21   -0.4612     0.673 
S  SKP  8 
ID	FL3FF9NS0003 
KNApSAcK_ID	C00003809 
NAME	Norwogonin 5,8-dimethyl ether;7-Hydroxy-5,8-Dimethoxyflavone 
CAS_RN	3316-54-9 
FORMULA	C17H14O5 
EXACTMASS	298.084123558 
AVERAGEMASS	298.29006 
SMILES	COc(c1)c(C(=O)3)c(OC(=C3)c(c2)cccc2)c(OC)c(O)1 
M  END
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