Mol:FLIB1GNS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -2.3617    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3617    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2491    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054    1.4494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    0.1647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    0.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1365    1.1282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928    1.4494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4196   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092   -0.5220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6092    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0144    0.5082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9178    1.4493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6928   -0.4807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034   -0.8650    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2034    0.5079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9178    0.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5970   -1.0369    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3115   -1.4494    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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 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   -4.9190    5.4519
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   -5.9306    4.9373
S  SKP  8
ID	FLIB1GNS0001
KNApSAcK_ID	C00009961
NAME	7,4'-Dihydroxy-3',5'-dimethoxyisoflavanone
CAS_RN	124901-97-9
FORMULA	C17H16O6
EXACTMASS	316.094688244
AVERAGEMASS	316.30534
SMILES	COc(c1)c(O)c(OC)cc1C(C2)C(=O)c(c3)c(cc(O)c3)O2
M  END

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