Mol:FLIAF8NS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1039    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1039   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9913    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476    0.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -0.4138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213   -0.0927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1213    0.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350    0.8709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6774   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -1.4439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -1.1005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8670   -0.4137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2722   -0.0703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4350   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8670   -0.4137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5476   -1.0560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4612    1.1685    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9612    2.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2696    1.4439    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8331    2.3436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5693    0.5137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227    1.4050    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
 15 18  1  0  0  0  0
  3 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
 16 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  STY  1   3 SUP
M  SLB  1   3   3
M  SAL   3  2  24  25
M  SBL   3  1  26
M  SMT   3  OCH3
M  SVB   3 26    1.5693    0.5137
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   -1.2696    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   -2.4612    1.1685
S  SKP  8
ID	FLIAF8NS0002
KNApSAcK_ID	C00009866
NAME	5,3'-Dihydroxy-7,8,2'-trimethoxyisoflavone
CAS_RN	129724-34-1
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c1OC)(OC)cc(c(C2=O)c1OC=C(c(c(OC)3)cccc3O)2)O
M  END

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