Mol:FLIFHXNP0003

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FLIFHXNP0003.png

 
 
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 31 35  0  0  0  0  0  0  0  0999 V2000 
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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  1  0  0  0  0 
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  7 17  2  0  0  0  0 
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  1 20  1  0  0  0  0 
  8 21  1  0  0  0  0 
  6 22  1  0  0  0  0 
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  3 27  1  0  0  0  0 
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 28 29  1  0  0  0  0 
 14 30  1  0  0  0  0 
 30 31  1  0  0  0  0 
M  STY  1   2 SUP 
M  SLB  1   2   2 
M  SAL   2  2  30  31 
M  SBL   2  1  34 
M  SMT   2  OCH3 
M  SVB   2 34    2.3451   -1.4076 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  28  29 
M  SBL   1  1  32 
M  SMT   1  OCH3 
M  SVB   1 32    1.0959   -1.7163 
S  SKP  8 
ID	FLIFHXNP0003 
KNApSAcK_ID	C00009591 
NAME	11-Hydroxytephrosin 
CAS_RN	72458-85-6 
FORMULA	C23H22O8 
EXACTMASS	426.13146768 
AVERAGEMASS	426.41598000000005 
SMILES	c(c54)c(O)c(c3c4C=CC(O5)(C)C)C(C(C2O3)(c(c1)c(OC2)cc(c1OC)OC)O)=O 
M  END
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