Mol:FL5FFLNS0005

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -2.1416   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.0290   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.4725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -0.8123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836   -0.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0836    0.1513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727    0.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4727   -1.3131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.7737    0.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7737    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2067    1.4544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0729    1.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6397   -0.0277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5057   -0.5277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9496   -0.9911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156   -1.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3073    1.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8708    1.9452    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
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 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
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 17 21  1  0  0  0  0
 14 22  1  0  0  0  0
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  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
  6 26  1  0  0  0  0
 26 27  1  0  0  0  0
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   -1.3073    1.0455
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    0.2825   -0.6973
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    1.9832    0.2661
S  SKP  8
ID	FL5FFLNS0005
KNApSAcK_ID	C00004839
NAME	5,7,2',4'-Tetrahydroxy-3,8,5'-trimethoxyflavone
CAS_RN	100363-97-1
FORMULA	C18H16O9
EXACTMASS	376.07943210999997
AVERAGEMASS	376.31424
SMILES	c(c1OC)(O)cc(c(C3=O)c(OC(=C3OC)c(c(O)2)cc(OC)c(O)c2)1)O
M  END

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