Mol:FLIAABNI0002

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FLIAABNI0002.png

 
 
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 26 28  0  0  0  0  0  0  0  0999 V2000 
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    0.0421    0.0107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.1930   -0.6093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.7390    2.2583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    2.6538   -2.1395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5199   -2.6395    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 
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  8 11  1  0  0  0  0 
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 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 
  7 17  2  0  0  0  0 
  1 18  1  0  0  0  0 
  3 19  1  0  0  0  0 
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 22 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    2.0247   -1.8458 
S  SKP  8 
ID	FLIAABNI0002 
KNApSAcK_ID	C00009897 
NAME	Gancanin M;5,7,-Dihydroxy-4'-methoxy-8-prenylisoflavone 
CAS_RN	129145-51-3 
FORMULA	C21H20O5 
EXACTMASS	352.13107375 
AVERAGEMASS	352.3805 
SMILES	c(c3)(O)c(C1=O)c(c(CC=C(C)C)c3O)OC=C1c(c2)ccc(OC)c2 
M  END
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