Mol:FLIAGANS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0044    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0044   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7769   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9665   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3717   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3355   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4481   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5607   -0.4138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5607   -1.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1700    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7334    2.3435    0.0000 C   0  0  0  0  0  0  0  0  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
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
  1 19  1  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
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     -1.17    1.4439
S  SKP  8
ID	FLIAGANS0001
KNApSAcK_ID	C00009830
NAME	5,6,7,4'-Tetrahydroxy-8-methoxyisoflavone
CAS_RN	94411-01-5
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c(O)3)c(O2)c(c(O)c(O)3)C(=O)C(=C2)c(c1)ccc(O)c1
M  END

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