Mol:FL5FFLNS0003

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Copyright: ARM project http://www.metabolome.jp/
 28 30  0  0  0  0  0  0  0  0999 V2000
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   -2.4197   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634    0.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -0.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944   -0.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1944    0.0056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507    0.3268    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7507   -1.4588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286   -0.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9286    1.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617    0.9813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8634   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0044    1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4956    2.4661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6716   -1.1368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376   -1.6368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5853    0.8998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.7769    0.6243    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2769    1.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0624    1.3086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7769    0.8961    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
  3 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
  8 21  1  0  0  0  0
 21 22  1  0  0  0  0
  6 23  1  0  0  0  0
 23 24  1  0  0  0  0
  1 25  1  0  0  0  0
 25 26  1  0  0  0  0
 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
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    2.0624    1.3086
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   -2.7769    0.6243
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   -1.5853    0.8998
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    0.0044    -0.843
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    0.0044    1.6001
S  SKP  8
ID	FL5FFLNS0003
KNApSAcK_ID	C00004718
NAME	5-Hydroxy-3,7,8,2',4'-pentamethoxyflavone
CAS_RN	71787-04-7
FORMULA	C20H20O8
EXACTMASS	388.11581761599996
AVERAGEMASS	388.368
SMILES	COc(c3OC)cc(c(c23)C(C(=C(O2)c(c1)c(cc(OC)c1)OC)OC)=O)O
M  END

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