Mol:FLIAEANS0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 23 25  0  0  0  0  0  0  0  0999 V2000
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   -2.2682    1.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7339   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1980   -0.8043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.5364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6621   -0.0004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5281   -1.0365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3941   -1.5365    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
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  8 13  1  0  0  0  0
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  2 20  1  0  0  0  0
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 16 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    1.7681   -0.7426
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   -2.4825    0.4121
S  SKP  8
ID	FLIAEANS0002
KNApSAcK_ID	C00002540
NAME	Irisolidone;4'-O-Methyltectorigenin;5,7-Dihydroxy-6,4'-dimethoxyisoflavone
CAS_RN	2345-17-7
FORMULA	C17H14O6
EXACTMASS	314.07903818
AVERAGEMASS	314.28945999999996
SMILES	COc(c3)ccc(c3)C(=C2)C(=O)c(c(O)1)c(O2)cc(O)c(OC)1
M  END

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