Mol:FL1DE9NI0001

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FL1DE9NI0001.png

 
 
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 26 27  0  0  0  0  0  0  0  0999 V2000 
    1.9650    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.9650   -0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4297   -0.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8945   -0.2960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8945    0.2406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.4297    0.5090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.3974   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.9330   -0.2754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4686   -0.5435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0054   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.4686   -1.0784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0054    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4781    0.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9617    0.2823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.9617   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4781   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.8714    0.7823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.4781   -1.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4452    0.5614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9287   -0.2761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4452   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4122   -0.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8945   -0.2768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4122   -1.1121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.2364    1.1135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.1646    2.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  2  0  0  0  0 
  2  3  1  0  0  0  0 
  3  4  2  0  0  0  0 
  4  5  1  0  0  0  0 
  5  6  2  0  0  0  0 
  6  1  1  0  0  0  0 
  7  8  1  0  0  0  0 
  8  9  1  0  0  0  0 
  9 10  1  0  0  0  0 
  9 11  2  0  0  0  0 
  2  7  1  0  0  0  0 
 10 12  2  0  0  0  0 
 12 13  1  0  0  0  0 
 13 14  2  0  0  0  0 
 14 15  1  0  0  0  0 
 15 16  2  0  0  0  0 
 16 10  1  0  0  0  0 
 12 17  1  0  0  0  0 
 16 18  1  0  0  0  0 
 14 19  1  0  0  0  0 
 20 21  1  0  0  0  0 
 21 15  1  0  0  0  0 
 20 22  2  0  0  0  0 
 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
 13 25  1  0  0  0  0 
 25 26  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  26 
M  SMT   1  OCH3 
M  SVB   1 26   -0.2364    1.1135 
S  SKP  8 
ID	FL1DE9NI0001 
KNApSAcK_ID	C00008011 
NAME	2',4',6'-Trihydroxy-3'-methoxy-5'-prenyldihydrochalcone 
CAS_RN	77129-39-6 
FORMULA	C21H24O5 
EXACTMASS	356.162373878 
AVERAGEMASS	356.41226 
SMILES	COc(c2O)c(O)c(c(c(CC=C(C)C)2)O)C(=O)CCc(c1)cccc1 
M  END
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