Molecule FYI-1001267

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A

Molecule Summary:

ID: FYI-1001267
SMILES: CCOc1c(OC)c(OC)c(c2c1c(=O)cc(o2)c1ccc(c(c1)OC)OC)OC

Received at FYIcenter.com on: 2022-04-21

Molecule ID: FYI-1001267 Edit

Molecule Structure SMILES String: CCOc1c(OC)c(OC)c(c2c1c(=O)cc(o2)c1ccc(c(c1)OC)OC)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001267
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 18 12  1  0  0  0  0
 19 17  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 23  1  0  0  0  0
 26 25  1  0  0  0  0
 27 22  1  0  0  0  0
 28 27  1  0  0  0  0
 29 11  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001267-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    1.5850   -0.7427    0.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4816    0.1443   -0.3552 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428    1.2528    0.4212 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2914    1.4963    0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7747    1.9652    1.7638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0118    2.2215    2.8715 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6004    2.1134    2.8616 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653    2.1840    1.9335 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8024    2.6459    3.0687 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0772    3.0655    4.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0737    1.9135    0.8795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5802    1.4898   -0.3606 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1987    1.3460   -0.5597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7757    1.1426   -1.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6737    1.4619   -2.3909 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7549    0.6110   -2.9079 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0435    0.7499   -2.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4751    1.2441   -1.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1101    0.5726   -3.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2321    1.4046   -3.5199 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2344    1.3558   -4.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1385    0.4780   -5.5666 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0338   -0.3900   -5.6350 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0311   -0.3321   -4.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583   -1.2915   -6.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8817   -1.9352   -7.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0526    0.4533   -6.5867 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1422    1.3640   -6.5133 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3906    2.1248    1.2189 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264    1.9624    0.2659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0977   -1.4909   -0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8199   -0.1571    1.0008 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758   -1.2622    1.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8807    0.5436   -1.1795 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -0.4816   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2411    2.4590    3.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2935    1.0690    2.7635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451    2.7614    2.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8007    3.4613    4.9305 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5802    2.2188    4.6919 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3847    3.8799    3.9752 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3891    0.2988   -3.8735 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3254    2.1476   -2.7329 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0588    2.0519   -4.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1819   -1.0045   -4.7489 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5233   -2.8532   -7.6967 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6286   -2.2201   -6.4724 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3165   -1.3148   -8.0096 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7450    1.2385   -7.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7795    1.1395   -5.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7949    2.4031   -6.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3693    2.2359    0.7444 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2929    2.6453   -0.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5124    0.9180   -0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  1  0  0  0  0
  2 34  1  0  0  0  0
  2 35  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  8  2  0  0  0  0
  6  7  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 42  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 43  1  0  0  0  0
 21 22  1  0  0  0  0
 21 44  1  0  0  0  0
 22 23  2  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
 29 30  1  0  0  0  0
 30 52  1  0  0  0  0
 30 53  1  0  0  0  0
 30 54  1  0  0  0  0
M  END
$$$$

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2022-05-01, 1025👍, 0💬