Mol:FL5F3ANS0004

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 24 26  0  0  0  0  0  0  0  0999 V2000 
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   -2.4197   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.8829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070   -0.5617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3070    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.1944    0.0806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.7507   -1.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    0.0744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.4017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.0564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617   -0.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.0624    1.3836    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    0.9711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.6994    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2768    1.5655    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 
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  9 10  1  0  0  0  0 
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  7 11  2  0  0  0  0 
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 15 16  1  0  0  0  0 
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 21 22  1  0  0  0  0 
  1 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   -2.7769    0.6994 
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    2.0624    1.3836 
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   -1.5853    0.9749 
S  SKP  8 
ID	FL5F3ANS0004 
KNApSAcK_ID	C00004578 
NAME	3-Hydroxy-7,8,4'-trimethoxyflavone 
CAS_RN	57499-06-6 
FORMULA	C18H16O6 
EXACTMASS	328.094688244 
AVERAGEMASS	328.31604 
SMILES	c(c1OC)(OC)ccc(C2=O)c(OC(c(c3)ccc(OC)c3)=C2O)1 
M  END