Mol:FLIABANP0001

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FLIABANP0001.png

 
 
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 31 34  0  0  0  0  0  0  0  0999 V2000 
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    0.7756    0.4390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.2193    0.7602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.5606   -2.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.1155   -1.1652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3297   -0.6851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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  8 11  1  0  0  0  0 
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  7 17  2  0  0  0  0 
 14 18  1  0  0  0  0 
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  6 20  1  0  0  0  0 
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 22 19  1  0  0  0  0 
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  2 25  1  0  0  0  0 
 25 26  1  0  0  0  0 
 26 27  2  0  0  0  0 
 27 28  1  0  0  0  0 
 27 29  1  0  0  0  0 
  3 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  30  31 
M  SBL   1  1  33 
M  SMT   1 OCH3 
M  SBV   1 33   -5.6150    3.7434 
S  SKP  8 
ID	FLIABANP0001 
KNApSAcK_ID	C00009518 
NAME	Scandinone;Nallanin 
CAS_RN	5233-97-6 
FORMULA	C26H26O5 
EXACTMASS	418.178023942 
AVERAGEMASS	418.48163999999997 
SMILES	C(c12)=CC(Oc(c(CC=C(C)C)c(c(C(=O)3)c(OC=C(c(c4)ccc(c4)O)3)2)OC)1)(C)C 
M  END
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