Molecule FYI-1012150

A

Molecule Summary:

ID: FYI-1012150
Names:
InChIKey: MQFFYJWUGJUEAV-WXVUUNOTSA-N
SMILES: C[C@@H]5O[C@@H](OC[C@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012150 Edit

Molecule Structure InChIKey: MQFFYJWUGJUEAV-WXVUUNOTSA-N

Molecule Structure SMILES String: C[C@@H]5O[C@@H](OC[C@H]4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H](O)[C@H](O)[C@H]5O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1012150
FYIcenter.com

 53 58  0  0  1  0  0  0  0  0999 V2000
   12.1244    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  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  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  6  8  1  1  0  0  0
  9  8  1  0  0  0  0
 10  9  1  1  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
 14 16  1  1  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  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  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 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 17  1  0  0  0  0
 27 26  2  0  0  0  0
 28 24  1  0  0  0  0
 29 22  1  0  0  0  0
 30 18  1  0  0  0  0
 31 30  2  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
 35 30  1  0  0  0  0
 36 33  1  0  0  0  0
 13 37  1  6  0  0  0
 12 38  1  1  0  0  0
 11 39  1  6  0  0  0
  5 40  1  6  0  0  0
  4 41  1  6  0  0  0
  3 42  1  1  0  0  0
 43 42  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 43  1  0  0  0  0
 47 49  1  6  0  0  0
 50 49  1  0  0  0  0
 46 51  1  1  0  0  0
 45 52  1  6  0  0  0
 44 53  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1012150-3D
FYIcenter.com

 93 98  0  0  1  0  0  0  0  0999 V2000
    3.8427   -0.1919   -0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5499   -0.7630   -1.2993 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.9897    0.2639   -2.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9778    0.9890   -2.8999 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6984    1.9037   -3.7434 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972    2.6913   -4.7057 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9488    3.6608   -4.1260 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.5885    4.7893   -3.5038 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6359    5.5920   -2.7738 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.3286    6.5983   -2.0268 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6573    7.2175   -0.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9348    8.4904   -0.6322 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7837    9.4061   -1.4031 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1797   10.1612   -2.4199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7855   11.3315   -2.8728 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9987   11.7246   -2.3169 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5380   12.9417   -2.6080 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6651   10.9228   -1.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0516    9.7605   -0.9291 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4058    9.1672    0.4498 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3312    8.6378    1.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7206    9.4574    2.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3999    8.9951    2.7194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0290    9.7524    3.6614 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9308    7.7430    2.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3172    6.9372    1.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9036    5.7527    1.1240 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8424    7.3701    0.8183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6084    6.5282   -0.1357 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3795    5.3312   -0.2447 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    6.2408   -3.7670 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6299    7.0181   -3.0900 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9758    5.1272   -4.6062 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1271    5.6688   -5.6290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0040    4.1697   -5.2235 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3569    3.0521   -5.8497 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0459    0.0181   -3.6730 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8149    0.6698   -4.0756 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977   -1.1820   -2.8198 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5804   -0.7565   -1.8946 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7249   -1.8537   -2.0253 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6164   -2.6876   -2.8199 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9878   -3.8818   -3.3170 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.4881   -4.7203   -2.2710 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4284   -5.5757   -1.6052 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3597   -4.8486   -0.6265 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3212   -4.0288   -1.2738 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1407   -6.4928   -2.6117 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1799   -7.4296   -3.1463 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7670   -5.7309   -3.7878 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0446   -5.1833   -3.4617 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8199   -4.6654   -4.3697 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8851   -5.3150   -5.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5552    0.3613    0.5533 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4141   -0.9922    0.5463 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473    0.5141   -0.3177 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4731   -1.2285   -0.9352 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4060    1.5922   -2.1873 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5804    2.0179   -5.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7632    3.2771   -5.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3643    3.1263   -3.3700 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1253    4.8940   -2.1179 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1918    9.8901   -2.7901 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   11.9427   -3.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8109   13.5279   -2.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6163   11.2436   -0.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5249    9.1867   -0.1357 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321   10.4440    2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5558   10.5961    3.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8242    7.4177    2.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6327    5.5608    1.7379 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722    6.9378   -4.4260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0353    6.4066   -2.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2938    4.5610   -3.9590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6518    6.2826   -6.1732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644    4.7021   -6.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4139    3.0695   -5.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5554   -0.3480   -4.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9169    0.9735   -4.9983 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0890   -1.8879   -3.4803 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0315   -0.1185   -2.4035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   -2.4989   -1.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0990   -3.5610   -3.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934   -6.2140   -0.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7860   -4.2236    0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9133   -5.5863   -0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8459   -3.2472   -1.6272 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9041   -7.0841   -2.0911 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864   -7.1315   -2.9049 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9692   -6.4665   -4.5779 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9772   -4.6665   -2.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3949   -3.9635   -4.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2792   -5.8515   -4.7218 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  1 56  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  2 57  1  1  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  4 58  1  1  0  0  0
  5  6  1  0  0  0  0
  6 59  1  0  0  0  0
  6 60  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7  6  1  0  0  0  0
  7 61  1  1  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 62  1  1  0  0  0
 10 11  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 20  1  0  0  0  0
 13 14  1  0  0  0  0
 13 19  2  0  0  0  0
 14 15  2  0  0  0  0
 14 63  1  0  0  0  0
 15 16  1  0  0  0  0
 15 64  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 65  1  0  0  0  0
 18 19  1  0  0  0  0
 18 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  2  0  0  0  0
 22 23  2  0  0  0  0
 22 68  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 69  1  0  0  0  0
 25 26  2  0  0  0  0
 25 70  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 71  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 33  1  0  0  0  0
 31 32  1  0  0  0  0
 31 72  1  6  0  0  0
 32 73  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 74  1  1  0  0  0
 34 75  1  0  0  0  0
 35 36  1  0  0  0  0
 35 76  1  6  0  0  0
 36 77  1  0  0  0  0
 37 39  1  0  0  0  0
 37 38  1  0  0  0  0
 37 78  1  6  0  0  0
 38 79  1  0  0  0  0
 39 41  1  0  0  0  0
 39 40  1  0  0  0  0
 39 80  1  6  0  0  0
 40 81  1  0  0  0  0
 41 42  1  0  0  0  0
 41 82  1  1  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 52  1  0  0  0  0
 43 83  1  6  0  0  0
 44 45  1  0  0  0  0
 45 48  1  0  0  0  0
 45 46  1  0  0  0  0
 45 84  1  1  0  0  0
 46 47  1  0  0  0  0
 46 85  1  0  0  0  0
 46 86  1  0  0  0  0
 47 87  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 88  1  1  0  0  0
 49 89  1  0  0  0  0
 50 52  1  0  0  0  0
 50 51  1  0  0  0  0
 50 90  1  6  0  0  0
 51 91  1  0  0  0  0
 52 53  1  0  0  0  0
 52 92  1  6  0  0  0
 53 93  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-09-12, 1276👍, 0💬