Mol:FLIDBANP0003

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FLIDBANP0003.png

 
 
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 31 35  0  0  0  0  0  0  0  0999 V2000 
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    3.0679   -2.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3755    0.6326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
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  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 
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  4  7  1  0  0  0  0 
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  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
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  1  2  1  0  0  0  0 
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  1 18  1  0  0  0  0 
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 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  34 
M  SMT   1 OCH3 
M  SBV   1 34   -5.8670    5.2674 
S  SKP  8 
ID	FLIDBANP0003 
KNApSAcK_ID	C00009674 
NAME	Gangetin 
CAS_RN	32986-79-1 
FORMULA	C26H28O5 
EXACTMASS	420.193674006 
AVERAGEMASS	420.49752 
SMILES	c(c1)c(C52)c(OC(c(c4OC5)c(c(c3c4)C=CC(O3)(C)C)OC)2)c(c(O)1)CC=C(C)C 
M  END
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