Mol:FL5FG9NS0002

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Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -1.4348    0.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5464   -0.5056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0543   -0.9185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507   -0.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3391   -0.0661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8312    0.3468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0414   -1.1117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6450   -0.8920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7566   -0.2593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2645    0.1536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0456   -1.6049    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3600   -0.0398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615   -0.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4767   -0.2367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5904    0.4081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0889    0.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4737    0.6050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7197    0.9791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1658   -1.5508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6792    0.7984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212    1.7381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1865   -0.1752    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6560   -0.8071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4111   -1.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1771   -2.1776    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
  6 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2 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
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    0.8237   -0.6973
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  22  23
M  SBL   2  1  24
M  SMT   2  OCH3
M  SVB   2 24   -2.3149   -0.3996
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  20  21
M  SBL   1  1  22
M  SMT   1  OCH3
M  SVB   1 22   -1.9576      0.77
S  SKP  8
ID	FL5FG9NS0002
KNApSAcK_ID	C00004586
NAME	5,8-Dihydroxy-3,6,7-trimethoxyflavone;5,8-Dihydroxy-3,6,7-trimethoxy-2-phenyl-4H-1-benzopyran-4-one
CAS_RN	85966-33-2
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(C(O2)=C(C(c(c3O)c2c(c(c3OC)OC)O)=O)OC)(c1)cccc1
M  END

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