Mol:FLIA1CNI0003

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Copyright: ARM project http://www.metabolome.jp/
 27 29  0  0  0  0  0  0  0  0999 V2000
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   -1.2122   -0.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.6559    0.7978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7587   -0.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1639   -0.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3529   -0.1438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4908   -2.1736    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
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  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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 21 23  1  0  0  0  0
 15 24  1  0  0  0  0
 24 25  1  0  0  0  0
 14 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  STY  1   2 SUP
M  SLB  1   2   2
M  SAL   2  2  26  27
M  SBL   2  1  28
M  SMT   2  OCH3
M  SVB   2 28    2.9957   -1.3799
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  24  25
M  SBL   1  1  26
M  SMT   1  OCH3
M  SVB   1 26    3.3529   -0.1438
S  SKP  8
ID	FLIA1CNI0003
KNApSAcK_ID	C00009812
NAME	7-Prenyloxy-3',4'-dimethoxyisoflavone
CAS_RN	82345-39-9
FORMULA	C22H22O5
EXACTMASS	366.146723814
AVERAGEMASS	366.40708000000006
SMILES	c(c3)c(cc(c3OC)OC)C(C2=O)=COc(c12)cc(cc1)OCC=C(C)C
M  END

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