Mol:FLIAECNS0008

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3616    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3616    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2490    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1364    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4197   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6093   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6927   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -0.7694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9179   -0.1273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035   -1.1571    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2035    0.2159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9179   -0.1966    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
 15 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  SBV   1 24   -5.5377    5.7787
S  SKP  8
ID	FLIAECNS0008
KNApSAcK_ID	C00009827
NAME	5,6,7,4'-Tetrahydroxy-3'-methoxyisoflavone
CAS_RN	94390-23-5
FORMULA	C16H12O7
EXACTMASS	316.058302738
AVERAGEMASS	316.26228000000003
SMILES	COc(c(O)3)cc(cc3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(O)1
M  END

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