Mol:FL1CA9NP0008

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FL1CA9NP0008.png

 
 
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 30 32  0  0  0  0  0  0  0  0999 V2000 
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    3.2672   -0.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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    1.5778   -0.5331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0169   -0.1995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -4.3798    0.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5695    0.7577    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2840    0.3452    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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  8  1  0  0  0  0 
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 26 28  1  0  0  0  0 
 12 29  1  0  0  0  0 
 29 30  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  29  30 
M  SBL   1  1  31 
M  SMT   1 OCH3 
M  SBV   1 31   -4.3436    5.9056 
S  SKP  8 
ID	FL1CA9NP0008 
KNApSAcK_ID	C00007132 
NAME	Boesenbergin B 
CAS_RN	93208-46-9 
FORMULA	C26H28O4 
EXACTMASS	404.19875938399997 
AVERAGEMASS	404.49812 
SMILES	C(c(c3)cccc3)=CC(=O)c(c(OC)2)c(c(C=1)c(c2)OC(C1)(C)CCC=C(C)C)O 
M  END
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