Mol:FL3FQUNS0001

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FL3FQUNS0001.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
   -2.4197    0.1388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4197   -0.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.7507    0.4599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7507   -1.3256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    0.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4956    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9286    1.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3617    1.1145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8634   -1.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2487    1.4669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    0.1326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0624    1.4418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.7769    1.0293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4258    0.0103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1403   -0.4022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.7769    0.7575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.2769    1.6235    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  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 17  1  0  0  0  0 
 17 12  1  0  0  0  0 
  3 18  1  0  0  0  0 
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 15 21  1  0  0  0  0 
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 23 24  1  0  0  0  0 
  1 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  25  26 
M  SBL   3  1  27 
M  SMT   3  OCH3 
M  SVB   3 27   -2.7769    0.7575 
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    0.4258    0.0103 
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    2.0624    1.4418 
S  SKP  8 
ID	FL3FQUNS0001 
KNApSAcK_ID	C00004107 
NAME	5-Hydroxy-7,2',4'-trimethoxy-3',6'-diketoflavone 
CAS_RN	- 
FORMULA	C18H14O8 
EXACTMASS	358.068867424 
AVERAGEMASS	358.29896 
SMILES	c(c3=O)(OC)cc(c(c3OC)C(O1)=CC(c(c(O)2)c1cc(OC)c2)=O)=O 
M  END
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