Mol:FLIA1CNI0002

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Copyright: ARM project http://www.metabolome.jp/
 26 28  0  0  0  0  0  0  0  0999 V2000
   -1.0709    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0709    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0417    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1543    0.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1543    0.9739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5980    1.2951    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7104   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052   -1.0197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000   -0.6763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9000    0.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3052    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6270    1.2950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.2953    0.3318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8514    1.2950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7660   -1.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6321   -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
  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
  1 17  1  0  0  0  0
  7 18  2  0  0  0  0
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 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 14 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  25  26
M  SBL   1  1  27
M  SMT   1  OCH3
M  SVB   1 27    3.1369   -0.8826
S  SKP  8
ID	FLIA1CNI0002
KNApSAcK_ID	C00009811
NAME	7-Prenyloxy-3'-hydroxy-4'-methoxyisoflavone
CAS_RN	82345-38-8
FORMULA	C21H20O5
EXACTMASS	352.13107375
AVERAGEMASS	352.3805
SMILES	c(c1)c(cc(O2)c(C(C(c(c3)cc(O)c(OC)c3)=C2)=O)1)OCC=C(C)C
M  END

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