Mol:FLIA3CNS0006

<pre>

Copyright: ARM project http://www.metabolome.jp/
 22 24  0  0  0  0  0  0  0  0999 V2000
   -2.1831    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1831    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0705    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    0.9740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    0.6528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142    0.9740    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5982   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930   -1.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.9974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7878   -0.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1930    0.0328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.9528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7392    0.9739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6268    1.6161    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3820    0.0325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6538   -1.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5199   -1.9974    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
  1 18  1  0  0  0  0
  6 19  1  0  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  21  22
M  SBL   1  1  23
M  SMT   1  OCH3
M  SVB   1 23    2.0247   -1.2036
S  SKP  8
ID	FLIA3CNS0006
KNApSAcK_ID	C00009854
NAME	7,8,3'-Trihydroxy-4'-methoxyisoflavone
CAS_RN	117634-59-0
FORMULA	C16H12O6
EXACTMASS	300.063388116
AVERAGEMASS	300.26288
SMILES	COc(c3)c(O)cc(c3)C(=C2)C(=O)c(c1)c(O2)c(O)c(O)c1
M  END

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