Mol:FL3FF8NS0005

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  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 
    1.2376   -0.0532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9521   -0.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8452    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4086    1.9107    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 
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 14 15  2  0  0  0  0 
 15 16  1  0  0  0  0 
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  1 18  1  0  0  0  0 
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  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  3 23  1  0  0  0  0 
 23 24  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  23  24 
M  SBL   3  1  25 
M  SMT   3  OCH3 
M  SVB   3 25   -1.5597   -1.0073 
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   -0.8452     1.011 
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    1.2376   -0.0532 
S  SKP  8 
ID	FL3FF8NS0005 
KNApSAcK_ID	C00003847 
NAME	7-Hydroxy-5,8,2'-trimethoxyflavone 
CAS_RN	102273-92-7 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c1OC)(O)cc(c(C(=O)2)c(OC(c(c3)c(OC)ccc3)=C2)1)OC 
M  END