Mol:FL4DA9NI0003

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FL4DA9NI0003.png

 
 
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 26 28  0  0  0  0  0  0  0  0999 V2000 
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    0.5072   -0.3001    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0 
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    2.0962    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.5619    0.9258    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.0275    0.6173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
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   -2.0962    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.0555    1.8032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.9336    0.3186    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.4336    1.1846    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 
  3  7  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 
 10  4  1  0  0  0  0 
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  7 12  2  0  0  0  0 
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  5 20  1  0  0  0  0 
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 22 23  1  0  0  0  0 
 22 24  1  0  0  0  0 
  6 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  27 
M  SMT   1  OCH3 
M  SVB   1 27   -1.9336    0.3186 
S  SKP  8 
ID	FL4DA9NI0003 
KNApSAcK_ID	C00008610 
NAME	Leaserone 
CAS_RN	15508-94-8 
FORMULA	C21H22O5 
EXACTMASS	354.146723814 
AVERAGEMASS	354.39638 
SMILES	COc(c3)c(c(c(c(O)3)2)O[C@@H]([C@H](C2=O)O)c(c1)cccc1)CC=C(C)C 
M  END
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