Mol:FL5FGGNS0012

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FL5FGGNS0012.png

 
 
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 32 34  0  0  0  0  0  0  0  0999 V2000 
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  3  4  1  0  0  0  0 
  4  5  2  0  0  0  0 
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  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 
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M  STY  1   7 SUP 
M  SLB  1   7   7 
M  SAL   7  2  31  32 
M  SBL   7  1  33 
M  SMT   7  OCH3 
M  SVB   7 33   -1.4067    0.6837 
M  STY  1   6 SUP 
M  SLB  1   6   6 
M  SAL   6  2  29  30 
M  SBL   6  1  31 
M  SMT   6  OCH3 
M  SVB   6 31   -2.9555   -0.7614 
M  STY  1   5 SUP 
M  SLB  1   5   5 
M  SAL   5  2  27  28 
M  SBL   5  1  29 
M  SMT   5  OCH3 
M  SVB   5 29   -2.5983    0.4082 
M  STY  1   4 SUP 
M  SLB  1   4   4 
M  SAL   4  2  25  26 
M  SBL   4  1  27 
M  SMT   4  OCH3 
M  SVB   4 27     2.241    1.0925 
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     0.183   -1.0591 
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   -2.1212   -1.3346 
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    1.8838   -0.0957 
S  SKP  8 
ID	FL5FGGNS0012 
KNApSAcK_ID	C00004869 
NAME	3'-Hydroxy-3,5,6,7,8,4',5'-heptamethoxyflavone 
CAS_RN	5244-28-0 
FORMULA	C22H24O10 
EXACTMASS	448.136946988 
AVERAGEMASS	448.41996000000006 
SMILES	COC(=C(c(c3)cc(O)c(OC)c3OC)2)C(=O)c(c(OC)1)c(O2)c(OC)c(OC)c1OC 
M  END
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