Mol:FLIAAINP0001

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Copyright: ARM project http://www.metabolome.jp/
 29 32  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
  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  2  0  0  0  0
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 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  26  27
M  SBL   1  1  29
M  SMT   1 OCH3
M  SBV   1 29   -4.9765    4.5514
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  28  29
M  SBL   2  1  31
M  SMT   2 OCH3
M  SBV   2 31   -3.9649    5.0659
S  SKP  8
ID	FLIAAINP0001
KNApSAcK_ID	C00009893
NAME	Pumilaisoflavone D
CAS_RN	122221-91-4
FORMULA	C22H20O7
EXACTMASS	396.120902994
AVERAGEMASS	396.39
SMILES	C(O4)(C=Cc(c43)c(c(C1=O)c(c3)OC=C(c(c2)cc(c(c(OC)2)O)OC)1)O)(C)C
M  END

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