Mol:FLIAAINP0002

<pre>

Copyright: ARM project http://www.metabolome.jp/
 34 37  0  0  0  0  0  0  0  0999 V2000
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  2  3  2  0  0  0  0
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  4  5  2  0  0  0  0
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  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
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  8  9  2  0  0  0  0
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  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  2 19  1  0  0  0  0
 14 20  1  0  0  0  0
  3 21  1  0  0  0  0
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 22 23  1  0  0  0  0
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 15 31  1  0  0  0  0
 31 32  1  0  0  0  0
 13 33  1  0  0  0  0
 33 34  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  33  34
M  SBL   2  1  36
M  SMT   2  OCH3
M  SVB   2 36    0.8486   -1.1754
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  31  32
M  SBL   1  1  34
M  SMT   1  OCH3
M  SVB   1 34     2.455    0.3694
S  SKP  8
ID	FLIAAINP0002
KNApSAcK_ID	C00009894
NAME	Pumilaisoflavone A
CAS_RN	115712-89-5
FORMULA	C27H28O7
EXACTMASS	464.18350325
AVERAGEMASS	464.50702
SMILES	O(c(c4OC(C)(C)C=C)cc(cc(OC)4)C(=C3)C(c(c2O3)c(c(c1c2)C=CC(C)(C)O1)O)=O)C
M  END

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