Mol:FLIA28NS0001

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Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.6282    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5156    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0719    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1531   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3427   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0407   -0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479    0.9023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3427    0.2853    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6282   -0.1272    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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 16 19  1  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
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  SBV   1 22   -5.4942    4.9083
S  SKP  8
ID	FLIA28NS0001
KNApSAcK_ID	C00009818
NAME	7,2'-Dihydroxy-6-methoxyisoflavone
CAS_RN	85580-25-2
FORMULA	C16H12O5
EXACTMASS	284.068473494
AVERAGEMASS	284.26348
SMILES	COc(c(O)3)cc(c2c3)C(=O)C(=CO2)c(c1)c(O)ccc1
M  END

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