Mol:FL5FG9NS0006

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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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   -1.6004   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4878    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441    0.4379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -0.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248   -0.5256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6248    0.1167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685    0.4379    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0685   -1.3476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    0.4378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3149    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    1.4198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1809    1.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7660    1.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3294    1.9107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3149   -0.4342    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -1.8468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0441   -2.8468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4908   -1.0256    0.0000 O   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
 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
  6 18  1  0  0  0  0
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  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
  8 24  1  0  0  0  0
 24 25  1  0  0  0  0
  1 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   5 SUP
M  SLB  1   5   5
M  SAL   5  2  26  27
M  SBL   5  1  28
M  SMT   5  OCH3
M  SVB   5 28   -1.9576    0.7355
M  STY  1   4 SUP
M  SLB  1   4   4
M  SAL   4  2  24  25
M  SBL   4  1  26
M  SMT   4  OCH3
M  SVB   4 26    0.8237   -0.7319
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  22  23
M  SBL   3  1  24
M  SMT   3  OCH3
M  SVB   3 24   -1.4805   -1.0073
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.3149   -0.4342
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20    -0.766     1.011
S  SKP  8
ID	FL5FG9NS0006
KNApSAcK_ID	C00004590
NAME	3,5,6,7,8-Pentamethoxyflavone
CAS_RN	14221-85-3
FORMULA	C20H20O7
EXACTMASS	372.120902994
AVERAGEMASS	372.3686
SMILES	O(C)c(c31)c(c(c(OC)c1C(C(=C(O3)c(c2)cccc2)OC)=O)OC)OC
M  END

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