Molecule FYI-1010147

A

Molecule Summary:

ID: FYI-1010147
Names:
InChIKey: FFUGEMHREAXPTP-AYKAIXJZSA-N
SMILES: C/C(/C=C/C=C\\C(O)CC(O)CC1=C(C)C(=O)C(C)(O)N1CCO)=C\\C=C\\C(C)C(O)C(C)CCc2ccccc2

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010147 Edit

Molecule Structure InChIKey: FFUGEMHREAXPTP-AYKAIXJZSA-N

Molecule Structure SMILES String: C/C(/C=C/C=C\C(O)CC(O)CC1=C(C)C(=O)C(C)(O)N1CCO)=C\C=C\C(C)C(O)C(C)CCc2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1010147
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
   18.1473    8.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4788    9.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7440    9.2229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3114   10.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9114   10.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0885   11.6870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.5904   11.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4578   11.9467    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0755    8.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3666    7.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6981    6.9882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  5  1  0  0  0  0
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  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
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 25  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 37 32  1  0  0  0  0
 38 27  1  0  0  0  0
 39 21  1  0  0  0  0
 40 16  1  0  0  0  0
 41 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010147-3D
FYIcenter.com

 90 91  0  0  1  0  0  0  0  0999 V2000
    1.1812    0.4753   -0.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5664   -0.0044    0.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2813    0.6434    1.1842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6836    1.2841    2.2035 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878    1.8595    3.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    1.4480    4.5855 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3912    0.2608    5.0211 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2941   -0.6179    5.6873 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2206    0.6385    5.9439 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3370   -0.5767    6.3062 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.0931   -1.5600    7.0122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8519   -0.1484    7.1811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7583   -1.2857    7.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5799   -2.0163    8.7207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5259   -2.0467    9.7575 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7807   -2.8838    8.8090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9718   -3.6995    9.7015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7742   -2.5136    7.6867 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.2773   -3.7515    6.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8606   -1.7778    8.2155 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9393   -1.5988    6.9048 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2904   -1.2093    5.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4954   -0.2656    5.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2924    0.8654    6.3328 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1519   -1.0132   -0.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5248   -1.7352   -1.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930   -2.7397   -2.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3656   -3.4008   -3.4946 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8579   -2.7426   -4.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4776   -4.9505   -3.5453 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8428   -5.3702   -3.6722 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7828   -5.7563   -2.4065 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4073   -5.5636   -1.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2566   -5.5272   -2.3307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4716   -5.9625   -3.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9576   -5.7250   -3.5326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4954   -4.4913   -3.9272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8716   -4.2747   -3.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7223   -5.2848   -3.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1961   -6.5105   -3.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8189   -6.7302   -3.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    1.3333    0.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4490   -0.3251   -0.1199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1537    0.7961   -1.3163 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3636    0.5376    1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6050    1.3323    2.2783 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0714    2.6790    3.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7613    1.9727    5.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9924   -0.2879    4.1612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7402   -0.1246    6.3924 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6024    1.4038    5.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232    1.0750    6.8680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0302   -1.0459    5.3875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6751   -1.1092    7.6440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383    0.6242    6.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4692    0.3373    8.0888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2635   -1.3147    9.5709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0583   -3.0357    9.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9518   -1.8270   10.7415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6737   -4.4735    7.6947 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4936   -4.2552    6.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1104   -3.5102    6.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1934   -2.3094    8.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4896   -2.0962    4.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4388   -0.7065    5.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4128   -0.7692    5.8048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6435    0.0947    4.4668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1766    0.4769    7.2243 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1508   -1.3577   -0.2844 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5277   -1.4249   -1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0999   -3.0655   -2.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2971   -3.1563   -3.4224 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187   -3.1486   -5.1185 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9752   -1.6587   -4.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1250   -2.8935   -5.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0227   -5.2651   -4.4875 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3312   -5.0542   -2.8981 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -6.8200   -2.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3764   -4.5260   -0.6835 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4472   -5.9039   -1.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8653   -6.1456   -0.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0396   -4.4765   -2.1033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1493   -6.1033   -1.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2801   -7.0255   -3.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917   -5.4239   -4.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8429   -3.6976   -4.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812   -3.3204   -4.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7952   -5.1172   -3.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8597   -7.2983   -2.6833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4228   -7.6937   -2.7623 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  2  0  0  0  0
  3  4  2  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  5  6  2  0  0  0  0
  5 47  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 49  1  0  0  0  0
  8 50  1  0  0  0  0
  9 10  1  0  0  0  0
  9 51  1  0  0  0  0
  9 52  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 53  1  0  0  0  0
 11 54  1  0  0  0  0
 12 13  1  0  0  0  0
 12 55  1  0  0  0  0
 12 56  1  0  0  0  0
 13 14  2  0  0  0  0
 13 21  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 60  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 63  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 64  1  0  0  0  0
 22 65  1  0  0  0  0
 23 24  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 68  1  0  0  0  0
 25 26  1  0  0  0  0
 25 69  1  0  0  0  0
 26 27  2  0  0  0  0
 26 70  1  0  0  0  0
 27 28  1  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 72  1  0  0  0  0
 29 73  1  0  0  0  0
 29 74  1  0  0  0  0
 29 75  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30 76  1  0  0  0  0
 31 77  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 78  1  0  0  0  0
 33 79  1  0  0  0  0
 33 80  1  0  0  0  0
 33 81  1  0  0  0  0
 34 35  1  0  0  0  0
 34 82  1  0  0  0  0
 34 83  1  0  0  0  0
 35 36  1  0  0  0  0
 35 84  1  0  0  0  0
 35 85  1  0  0  0  0
 36 37  1  0  0  0  0
 36 41  2  0  0  0  0
 37 38  2  0  0  0  0
 37 86  1  0  0  0  0
 38 39  1  0  0  0  0
 38 87  1  0  0  0  0
 39 40  2  0  0  0  0
 39 88  1  0  0  0  0
 40 41  1  0  0  0  0
 40 89  1  0  0  0  0
 41 90  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1177👍, 0💬