Mol:FLIDBDNP0001

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FLIDBDNP0001.png

 
 
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 28 32  0  0  0  0  0  0  0  0999 V2000 
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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 
  6  1  2  0  0  0  0 
  4  7  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
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 15 27  1  0  0  0  0 
 27 28  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  29 
M  SMT   1 OCH3 
M  SBV   1 29   -6.4305    4.4455 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  27  28 
M  SBL   2  1  31 
M  SMT   2 OCH3 
M  SBV   2 31   -5.3999    4.9491 
S  SKP  8 
ID	FLIDBDNP0001 
KNApSAcK_ID	C00009661 
NAME	Desmodin 
CAS_RN	56257-27-3 
FORMULA	C22H22O6 
EXACTMASS	382.141638436 
AVERAGEMASS	382.40648000000004 
SMILES	C(O1)(C=Cc(c2OC)c1cc(O3)c2C(O5)C(c(c54)cc(OC)c(O)c4)C3)(C)C 
M  END
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