Mol:FLIAA9NS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 21 23  0  0  0  0  0  0  0  0999 V2000
   -1.8068    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    1.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    0.0451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    0.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    1.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -1.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -0.9628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -0.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.0674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.9182    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869   -0.4366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9725   -0.8491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    1.3062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641    2.1722    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  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  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
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  20  21
M  SBL   2  1  22
M  SMT   2  OCH3
M  SVB   2 22   -2.1641    1.3062
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  18  19
M  SBL   1  1  20
M  SMT   1  OCH3
M  SVB   1 20   -1.6869   -0.4366
S  SKP  8
ID	FLIAA9NS0002
KNApSAcK_ID	C00009451
NAME	5,7-Dimethoxyisoflavone
CAS_RN	26964-35-2
FORMULA	C17H14O4
EXACTMASS	282.089208936
AVERAGEMASS	282.29066
SMILES	COc(c3)cc(O2)c(c(OC)3)C(=O)C(=C2)c(c1)cccc1
M  END

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