Mol:FLIA1CNI0003

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FLIA1CNI0003.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 27 29  0  0  0  0  0  0  0  0999 V2000 
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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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    3.6247   -1.6736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
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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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