Mol:FLIAFCNS0003

<pre>

Copyright: ARM project http://www.metabolome.jp/
 25 27  0  0  0  0  0  0  0  0999 V2000
   -2.1831    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    1.1629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.1994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.8417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    1.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -1.1519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.1217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    0.2217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -0.7639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    1.1628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -0.8085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7878   -0.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7756   -1.3234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4901   -1.7359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3488    1.7359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9123    2.6356    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
  1 19  1  0  0  0  0
 14 20  1  0  0  0  0
 20 21  1  0  0  0  0
 13 22  1  0  0  0  0
 22 23  1  0  0  0  0
  6 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   -1.3488    1.7359
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    0.7756   -1.3234
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    2.0247   -1.0148
S  SKP  8
ID	FLIAFCNS0003
KNApSAcK_ID	C00009481
NAME	5,7-Dihydroxy-8,3',4'-trimethoxyisoflavone
CAS_RN	78182-91-9
FORMULA	C18H16O7
EXACTMASS	344.089602866
AVERAGEMASS	344.31543999999997
SMILES	c(c1OC)(O)cc(c(C2=O)c1OC=C(c(c3)cc(OC)c(OC)c3)2)O
M  END

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