Mol:FLIA1ANP0003

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FLIA1ANP0003.png

 
 
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 25 28  0  0  0  0  0  0  0  0999 V2000 
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    1.4875   -0.1754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -3.0343    1.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9483   -1.7056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.8144   -2.2056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  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 
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 12 13  1  0  0  0  0 
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 14 15  1  0  0  0  0 
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  7 17  2  0  0  0  0 
  6 18  1  0  0  0  0 
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 14 24  1  0  0  0  0 
 24 25  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  24  25 
M  SBL   1  1  27 
M  SMT   1  OCH3 
M  SVB   1 27    2.3198   -1.4118 
S  SKP  8 
ID	FLIA1ANP0003 
KNApSAcK_ID	C00009433 
NAME	Calopogoniumisoflavone A 
CAS_RN	31273-64-0 
FORMULA	C21H18O4 
EXACTMASS	334.120509064 
AVERAGEMASS	334.36521999999997 
SMILES	c(c4)c(ccc(OC)4)C(C(=O)3)=COc(c32)c(c(cc2)1)C=CC(C)(C)O1 
M  END
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