Mol:FLIB1LNS0004

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1830    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1830    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6267    1.2951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    0.0104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0422    0.3315    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0422    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5983   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7879    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1931    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5141   -0.6318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7393    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6539   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200   -1.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6540   -1.3920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542   -2.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  0  0  0  0
 12 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  21  22
M  SBL   2  1  23
M  SMT   2  OCH3
M  SVB   2 23   -0.1162   -0.6069
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  19  20
M  SBL   1  1  21
M  SMT   1  OCH3
M  SVB   1 21    2.0248   -0.8826
S  SKP  8
ID	FLIB1LNS0004
KNApSAcK_ID	C00009537
NAME	Sativanone;7-Hydroxy-2',4'-dimethoxyisoflavanone
CAS_RN	70561-31-8
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c3)cc(OC)c(c3)C(C1)C(=O)c(c2)c(cc(O)c2)O1
M  END

</pre>