Mol:FL5FFLNS0006

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 28 30  0  0  0  0  0  0  0  0999 V2000 
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   -2.2410   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.1284    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.6847    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.5721   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0158    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    0.5403    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    0.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.6742    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1072    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.5403    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -0.0265    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.5402   -0.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.4062   -0.5278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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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   -1.4067    1.0455 
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     0.183   -0.6973 
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   -2.5983      0.77 
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    1.8838    0.2661 
S  SKP  8 
ID	FL5FFLNS0006 
KNApSAcK_ID	C00004840 
NAME	5,2',4'-Trihydroxy-3,7,8,5'-tetramethoxyflavone 
CAS_RN	103462-30-2 
FORMULA	C19H18O9 
EXACTMASS	390.095082174 
AVERAGEMASS	390.34082 
SMILES	c(c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC)=O)OC)1)(O)cc(O)c(OC)c1 
M  END