Mol:FLIBHXNI0002

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FLIBHXNI0002.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 29 31  0  0  0  0  0  0  0  0999 V2000
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    2.8072   -1.6763    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
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  8  9  1  0  0  0  0
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 26 27  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  30
M  SMT   2  OCH3
M  SVB   2 30    1.3074   -0.8826
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  28
M  SMT   1  OCH3
M  SVB   1 28    0.7774    0.9379
S  SKP  8
ID	FLIBHXNI0002
KNApSAcK_ID	C00009972
NAME	(+)-Echinoisoflavanone
CAS_RN	125300-49-4
FORMULA	C22H24O7
EXACTMASS	400.152203122
AVERAGEMASS	400.42176000000006
SMILES	c(c1CC=C(C)C)(ccc(C(C3=O)(COc(c32)cc(cc2O)O)O)c(OC)1)OC
M  END

</pre>

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