Mol:FL5FGGNS0002

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 29 31  0  0  0  0  0  0  0  0999 V2000 
   -1.4388   -0.7034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9950   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9951   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4387   -1.9881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8825   -1.6669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8825   -1.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4388   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.8824   -2.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3262   -2.6305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.3262   -1.9881    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.8725   -2.8809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2299   -2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2299   -3.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7969   -3.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3639   -3.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3638   -2.9515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7969   -2.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4388   -0.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.7968   -4.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9306   -2.6242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2472   -0.9788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.8824   -3.9516    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.9306   -3.9334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9307   -4.7585    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 
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  3 19  1  0  0  0  0 
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 16 21  1  0  0  0  0 
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 22 23  1  0  0  0  0 
  8 24  1  0  0  0  0 
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 26 27  1  0  0  0  0 
 15 28  1  0  0  0  0 
 28 29  1  0  0  0  0 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  28  29 
M  SBL   4  1  30 
M  SMT   4  OCH3 
M  SVB   4 30     2.241     1.127 
M  STY  1   3 SUP 
M  SLB  1   3   3 
M  SAL   3  2  26  27 
M  SBL   3  1  28 
M  SMT   3  OCH3 
M  SVB   3 28   -2.9555   -0.7269 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  24  25 
M  SBL   2  1  26 
M  SMT   2  OCH3 
M  SVB   2 26     0.183   -1.0246 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  22  23 
M  SBL   1  1  24 
M  SMT   1  OCH3 
M  SVB   1 24   -1.4067    0.7182 
S  SKP  8 
ID	FL5FGGNS0002 
KNApSAcK_ID	C00004859 
NAME	5,7,3',5'-Tetrahydroxy-3,6,8,4'-tetramethoxyflavone 
CAS_RN	78516-78-6 
FORMULA	C19H18O10 
EXACTMASS	406.089996796 
AVERAGEMASS	406.34022000000004 
SMILES	c(OC)(c(O)1)c(O)cc(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)c1 
M  END