Mol:FLICWXNS0009

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1736    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1736    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0610    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047   -0.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516    0.0450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0516    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6077   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7973   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2025    0.7535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7488    1.0195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6633   -1.4628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5294   -1.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3392    1.5816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9026    2.4812    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  2  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  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 16 17  1  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
  6 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   -1.3392    1.5816
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    2.0343   -1.1691
S  SKP  8
ID	FLICWXNS0009
KNApSAcK_ID	C00010038
NAME	7,2'-Dihydroxy-8,4'-dimethoxyisoflav-3-ene
CAS_RN	124901-96-8
FORMULA	C17H16O5
EXACTMASS	300.099773622
AVERAGEMASS	300.30593999999996
SMILES	COc(c3)cc(O)c(c3)C(C2)=Cc(c1)c(O2)c(OC)c(O)c1
M  END

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