Mol:FLIBALNS0007

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.0022    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0022    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8896    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4459    1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230    0.1939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2230    0.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333    1.1574    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7791   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -0.8140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -0.1272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3739    0.2162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3333   -0.7727    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5583   -1.1544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583    1.1573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710    0.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3855    0.3877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8823   -0.2879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1678   -0.7004    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  1  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
 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
 16 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
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   -5.0628    5.6071
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  SBV   2 24   -5.7963    4.8626
S  SKP  8
ID	FLIBALNS0007
KNApSAcK_ID	C00009954
NAME	7,4'-Dihydroxy-5,2'-dimethoxyisoflavanone
CAS_RN	99965-02-3
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c3)c(ccc(O)3)C(C2)C(=O)c(c(OC)1)c(O2)cc(O)c1
M  END

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