Mol:FLIA1CNI0002

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FLIA1CNI0002.png

 
 
Copyright: ARM project http://www.metabolome.jp/ 
 26 28  0  0  0  0  0  0  0  0999 V2000 
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    2.3052    0.3539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    3.4942    0.3535    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    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 
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  8  9  2  0  0  0  0 
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 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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