Mol:145c FLID

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145c FLID.png

 
 
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 30 34  0  0  0  0  0  0  0  0999 V2000 
   -3.5724    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5724    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8580    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1435    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1435    2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8580    3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2867    3.2996    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    0.8251    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7146    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0001    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.0001    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7144    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4288    0.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4288    1.6501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7144    2.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.4290    3.2998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.7146    2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1433    0.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1433    2.0626    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7144   -0.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4289   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1433   -0.4123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578   -0.8248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578   -1.6498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5723   -2.0623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.5723   -2.8873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578   -3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2867   -3.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.8578    0.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  2  3  1  0 
  3  4  2  0 
  4  5  1  0 
  5  6  2  0 
  6  1  1  0 
  4  7  1  0 
  1  2  2  0 
  1  8  1  0 
  7  9  1  0 
  7 10  2  0 
 10 11  1  0 
 11 12  2  0 
 12 13  1  0 
 13 14  2  0 
 14 15  1  0 
 15 16  2  0 
 16 11  1  0 
  5 17  1  0 
 10 18  1  0 
 18 17  1  0 
  9 12  1  0 
 14 19  1  0 
 15 20  1  0 
 13 21  1  0 
 21 22  2  0 
 22 23  1  0 
 23 19  1  0 
 23 24  1  0 
 24 25  1  0 
 25 26  1  0 
 26 27  2  0 
 27 28  1  0 
 27 29  1  0 
 23 30  1  0 
S  SKP  5 
ID	145c FLID 
FORMULA	C25H24O5 
EXACTMASS	404.162373878 
AVERAGEMASS	404.45506 
SMILES	CC(C)=CCCC(C)(C=5)Oc(c(O)4)c(C5)c(o1)c(c4)c(C2)c1c(c3)c(cc(O)c3)O2 
M  END
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