Mol:FLIAF8NS0001

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
   -1.8068    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8068   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6942    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4184    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9745   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1641   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1379   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2505   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.6158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1641    1.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6641    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9725    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5360    2.3436    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  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  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
  3 18  1  0  0  0  0
 16 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
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  SVB   2 24   -0.9725    1.4439
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  SVB   1 22   -2.1641    1.1685
S  SKP  8
ID	FLIAF8NS0001
KNApSAcK_ID	C00009865
NAME	5,2'-Dihydroxy-7,8-dimethoxyisoflavone
CAS_RN	115713-23-0
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)c(OC)c(O2)c(c(O)3)C(=O)C(=C2)c(c1)c(O)ccc1
M  END

</pre>