Mol:FL5FGLNS0001

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -1.8838   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7712    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3414    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2149   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0315    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4645    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8975    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5983    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.3307    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3275   -1.4544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0494    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6128    1.9451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.2074   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.0734   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.7410    1.6360    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 
 16 17  2  0  0  0  0 
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 15 18  1  0  0  0  0 
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  3 20  1  0  0  0  0 
  6 21  1  0  0  0  0 
 21 22  1  0  0  0  0 
  8 23  1  0  0  0  0 
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  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
  1 27  1  0  0  0  0 
 27 28  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  27  28 
M  SBL   4  1  29 
M  SMT   4  OCH3 
M  SVB   4 29    -2.241      0.77 
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   -2.5983   -0.3996 
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    0.5403   -0.6973 
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   -1.0494    1.0455 
S  SKP  8 
ID	FL5FGLNS0001 
KNApSAcK_ID	C00004781 
NAME	5,2',4'-Trihydroxy-3,6,7,8-tetramethoxyflavone 
CAS_RN	70368-15-9 
FORMULA	C19H18O9 
EXACTMASS	390.095082174 
AVERAGEMASS	390.34082 
SMILES	O(C(c(c3)c(O)cc(O)c3)=1)c(c2OC)c(c(c(c2OC)OC)O)C(C1OC)=O 
M  END