Mol:FL1CA8NP0001

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FL1CA8NP0001.png

 
 
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 32 34  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 
  7  8  2  0  0  0  0 
  7  9  1  0  0  0  0 
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  9 11  2  0  0  0  0 
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  3 20  1  0  0  0  0 
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  1 30  1  0  0  0  0 
 12 31  1  0  0  0  0 
 31 32  1  0  0  0  0 
M  STY  1   1 SUP 
M  SLB  1   1   1 
M  SAL   1  2  31  32 
M  SBL   1  1  33 
M  SMT   1 OCH3 
M  SBV   1 33   -4.7454    3.7391 
S  SKP  8 
ID	FL1CA8NP0001 
KNApSAcK_ID	C00007110 
NAME	Orotinichalcone 
CAS_RN	108864-19-3 
FORMULA	C26H28O6 
EXACTMASS	436.188588628 
AVERAGEMASS	436.49692 
SMILES	C(C=C(C)C)c(c(O)1)c(O3)c(C=CC3(C)C)c(OC)c1C(=O)C=Cc(c(O)2)c(O)ccc2 
M  END
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