Mol:FL5FGLNS0007

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FL5FGLNS0007.png

 
 
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 29 31  0  0  0  0  0  0  0  0999 V2000 
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   -3.5172   -1.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1029    0.6085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.6851    0.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2114    0.5115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1554   -0.1285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.6927    0.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.7933    0.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.8504    1.4351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.4437    1.7117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -5.9230    0.6840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.8790   -1.9510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9388    0.0654    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -6.5732    1.6128    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.2726   -0.2447    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.5307    2.7079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.6178    3.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1898   -1.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1180   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.7723    1.8761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.8594    2.8723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.1461   -1.1408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -5.1334   -1.2993    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  2  0  0  0  0 
 15 16  1  0  0  0  0 
 16 17  2  0  0  0  0 
 17 12  1  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
 15 20  1  0  0  0  0 
 17 21  1  0  0  0  0 
 14 22  1  0  0  0  0 
 22 23  1  0  0  0  0 
  2 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
  8 26  1  0  0  0  0 
 26 27  1  0  0  0  0 
  6 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   -1.2281    1.0455 
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    0.3617   -0.6973 
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   -2.7769   -0.3996 
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    2.0624    0.2661 
S  SKP  8 
ID	FL5FGLNS0007 
KNApSAcK_ID	C00004851 
NAME	5,7,2',4'-Tetrahydroxy-3,6,8,5'-tetramethoxyflavone 
CAS_RN	96887-21-7 
FORMULA	C19H18O10 
EXACTMASS	406.089996796 
AVERAGEMASS	406.34022000000004 
SMILES	c(c(C(O2)=C(C(c(c3O)c2c(c(c3OC)O)OC)=O)OC)1)(O)cc(O)c(OC)c1 
M  END
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