Molecule FYI-1011668

A

Molecule Summary:

ID: FYI-1011668
Names:
InChIKey: BEHKEBMWHIDHDT-UHFFFAOYSA-N
SMILES: O=C7C=C(C2Oc1cc(O)cc(O)c1CC2O)C8c6c(C4Oc3cc(O)cc(O)c3CC4OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c6OC78O

Received at FYIcenter.com on: 2024-08-10

Molecule ID: FYI-1011668 Edit

Molecule Structure InChIKey: BEHKEBMWHIDHDT-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C7C=C(C2Oc1cc(O)cc(O)c1CC2O)C8c6c(C4Oc3cc(O)cc(O)c3CC4OC(=O)c5cc(O)c(O)c(O)c5)cc(O)c(O)c6OC78O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011668
FYIcenter.com

 53 60  0  0  0  0  0  0  0  0999 V2000
    8.8725    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8309    8.5731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2134    9.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5819   10.1266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5180    9.0870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8865    9.3778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8226    8.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3903    7.0076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1880    6.7606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0128    7.6137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6068    5.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1911    8.6291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2773   10.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682   12.2438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3567   12.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2105   14.3346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3171   12.0072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8860   10.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    9.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348   10.4925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9256   11.8609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    9.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    8.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    7.6945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    8.3940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0548    7.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    6.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2695    5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4810    6.2955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    5.5960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9906    6.1779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9535    7.7389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6314    8.4139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3279    7.6242    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2288    8.2719    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0372    8.3232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6927    4.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    5.5960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8464    4.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0580    3.4975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6348    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    1.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    2.0985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    3.4975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    4.1970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1970    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3990    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4232    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117    7.6945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2117   10.4925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7479   13.2852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3904    8.2953    0.0000 O   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  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 10  1  1  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13  3  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  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
 21 17  1  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 19  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 34 29  1  0  0  0  0
 35 34  1  0  0  0  0
 35 26  1  0  0  0  0
 36 32  1  0  0  0  0
 37 30  1  0  0  0  0
 38 27  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 39  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  2  0  0  0  0
 46 41  1  0  0  0  0
 47 45  1  0  0  0  0
 48 44  1  0  0  0  0
 49 43  1  0  0  0  0
 50 23  1  0  0  0  0
 51 22  1  0  0  0  0
 52 17  1  0  0  0  0
 53  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011668-3D
FYIcenter.com

 81 88  0  0  1  0  0  0  0  0999 V2000
    1.5538   -0.5605   -2.3140 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4743   -0.4260   -1.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7747    0.8365   -0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873    0.7134   -0.0093 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    2.1151    0.4758 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1567    3.0865    0.5217 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2810    2.6348    1.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969    2.2804    1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739    1.1183    1.6721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6536    0.5451    1.1597 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1724    0.4050    2.6503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3703    0.9115    3.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1527    0.1569    3.9777 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8932    2.0920    2.6604 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2457    2.6312    2.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1275    2.5051    1.7516 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2901    1.7268    1.9866 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961   -0.7292   -0.0402 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2830   -1.8271    1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2534   -2.3403    1.9519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7642   -2.0512    1.6875 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9870   -2.6479    0.3527 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0852   -4.0239    0.4320 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1893   -4.8423   -0.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -6.2044    0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2064   -7.0293   -0.4329 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1107   -6.7612    0.9246 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0324   -5.9303    1.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9204   -6.4346    2.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0112   -4.5572    1.3283 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8302   -3.5505    2.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8553   -2.5580    2.7256 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6410   -1.4722    3.2793 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2955   -1.7961    4.4425 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1406   -2.8215    5.0805 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2962   -0.7620    4.8099 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1357   -1.0319    5.9122 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1005   -0.1022    6.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9387   -0.3115    7.3480 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2330    1.0863    5.5851 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1769    2.0082    5.9466 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4109    1.3504    4.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5490    2.5218    3.8090 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4412    0.4377    4.0984 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501   -3.5269    2.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8936   -4.3585    2.3059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8039   -5.6574    2.7468 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0538   -3.9689    1.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059   -4.8962    0.7294 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -2.7267    0.6900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6405   -2.4554   -0.5009 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4702   -1.4628   -1.0970 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1684   -1.9638   -2.2230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2583    1.7250   -1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9434    2.4548   -0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431    2.7546    0.2575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767    0.9793    0.3182 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8079   -0.5686    2.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0715   -0.7662    3.6768 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6863    2.1827    3.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1085    3.6999    3.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4950    3.5276    1.5576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8173    2.2373    2.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4186   -0.6710   -0.4248 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8689   -0.9677    1.5730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4544   -4.4043   -0.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5097   -6.4801   -0.8361 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -7.8258    1.1388 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8919   -7.4039    2.4189 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4849   -3.0243    1.3547 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5013   -4.0112    2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3549   -3.0342    3.5702 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0257   -1.9681    6.4545 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7292   -1.1760    7.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6323    1.6020    6.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2894    2.9838    4.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8180    0.6690    3.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6557   -3.9683    3.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7161   -5.9924    2.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3509   -5.7154    1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4812   -2.0385   -2.9135 H   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
  2 52  1  0  0  0  0
  3  4  2  0  0  0  0
  3 54  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 55  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  2  0  0  0  0
  8  9  2  0  0  0  0
  8 56  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 57  1  0  0  0  0
 11 12  2  0  0  0  0
 11 58  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 59  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
 16 17  1  0  0  0  0
 16 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 18 64  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  2  0  0  0  0
 20 21  1  0  0  0  0
 20 45  2  0  0  0  0
 21 22  1  0  0  0  0
 21 32  1  0  0  0  0
 21 65  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 30  2  0  0  0  0
 24 25  2  0  0  0  0
 24 66  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 67  1  0  0  0  0
 27 28  2  0  0  0  0
 27 68  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 69  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 32 33  1  0  0  0  0
 32 72  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 44  2  0  0  0  0
 37 38  2  0  0  0  0
 37 73  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 39 74  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  2  0  0  0  0
 41 75  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 43 76  1  0  0  0  0
 44 77  1  0  0  0  0
 45 46  1  0  0  0  0
 45 78  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 47 79  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 49 80  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
 52 53  1  0  0  0  0
 53 81  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-08-14, 1010👍, 0💬