Mol:FL7AAGGL0076

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FL7AAGGL0076.png

FL7AAGGL0075.mol 
  ChemDraw12051216123D 
 
 36 40  0  0  0  0  0  0  0  0999 V2000 
    0.0330   -0.8250   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6816   -0.4125   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3962   -0.8251   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -0.6816    0.4126   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1107   -0.4124   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3962   -1.6502   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0331    0.8252   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -1.3962    0.8251   -2.5962 O   0  3  0  0  0  6  0  0  0  0  0  0 
   -2.1107    0.4127   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8253   -0.8250   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1106   -2.0627   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.0330    1.6502   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7475    0.4127   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8253    0.8252   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.8253   -1.6501   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5398   -0.4125   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -2.1106   -2.8878   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7475    2.0627   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4620    0.8251   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
   -3.5398    0.4127   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4620    1.6503   -2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    0.7475    2.8878   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
   -4.2543    0.8252   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1765    2.0628   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.1765    0.4126   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.2543   -1.6264   -2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
    3.7446   -1.0966    1.0460 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.8794   -0.5141    2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.4931   -1.1833    2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.2359   -0.9710    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9837   -1.1833    2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    3.3702   -0.5141    2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    2.6271   -0.7264    2.5962 C   0  0  0  0  0  0  0  0  0  0  0  0 
    1.1185   -0.5328    2.1665 O   0  0  0  0  0  0  0  0  0  0  0  0 
    2.9331   -0.1964    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
    4.1642   -0.7268    2.5962 O   0  0  0  0  0  0  0  0  0  0  0  0 
  1  2  1  0 
  2  3  2  0 
  2  4  1  0 
  3  5  1  0 
  3  6  1  0 
  4  7  1  0 
  4  8  2  0 
  5  9  2  0 
  5 10  1  0 
  6 11  2  0 
  7 12  1  0 
  7 13  2  0 
  8  9  1  0 
  9 14  1  0 
 10 15  1  0 
 10 16  2  0 
 11 15  1  0 
 11 17  1  0 
 12 18  2  0 
 13 19  1  0 
 14 20  2  0 
 16 20  1  0 
 18 21  1  0 
 18 22  1  0 
 19 21  2  0 
 20 23  1  0 
 21 24  1  0 
 19 25  1  0 
 28 29  1  0 
 29 30  1  1 
 30 31  1  1 
 32 31  1  1 
 32 33  1  0 
 33 28  1  0 
 28 34  1  0 
 33 35  1  0 
 31 27  1  0 
 32 36  1  0 
 26 27  1  0 
  1 29  1  0 
M  CHG  1   8   1 
S  SKP  5 
ID	FL7AAGGL0076 
FORMULA	C24H23O12 
EXACTMASS	503.1189512 
AVERAGEMASS	503.43222 
SMILES	OCC(O1)C(O)C(O)C(O)C1Oc(c2c(c5)cc(O)c(O)c(O)5)c(C=4)c(c3OC(C)4)c(cc(O)c3)[o+1]2 
M  END
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