Molecule FYI-1011908

A

Molecule Summary:

ID: FYI-1011908
Names:
InChIKey: QLIZRNPMFYPDOG-NEWYKKOOSA-N
SMILES: CC(=O)O[C@H]5C(C)O[C@@H](OCC4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)C(O)[C@@H](O)[C@@H]4O)[C@@H](O)C5O[C@@H]6OC(C)[C@H](O)C(O)[C@@H]6O

Received at FYIcenter.com on: 2024-08-12

Molecule ID: FYI-1011908 Edit

Molecule Structure InChIKey: QLIZRNPMFYPDOG-NEWYKKOOSA-N

Molecule Structure SMILES String: CC(=O)O[C@H]5C(C)O[C@@H](OCC4O[C@@H](Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)C(O)[C@@H](O)[C@@H]4O)[C@@H](O)C5O[C@@H]6OC(C)[C@H](O)C(O)[C@@H]6O

Download SDF Download SVG Structure in 2D SDF:

FYI-1011908
FYIcenter.com

 55 60  0  0  1  0  0  0  0  0999 V2000
   14.5492   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   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
   10.9119   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   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
    9.6995    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 C   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
   13.3368   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 C   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
    6.0621    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    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
    6.0621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2124    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   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
    9.6995   15.4000    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
   14.5492   15.4000    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  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  0  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
 14  9  1  0  0  0  0
 14 15  1  1  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 13  1  0  0  0  0
 11 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  1  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  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 37  1  0  0  0  0
 38 29  1  0  0  0  0
 39 38  2  0  0  0  0
 40 36  1  0  0  0  0
 41 34  1  0  0  0  0
 42 30  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 47 42  1  0  0  0  0
 48 45  1  0  0  0  0
 49 25  1  0  0  0  0
 24 50  1  1  0  0  0
 23 51  1  6  0  0  0
 10 52  1  1  0  0  0
  5 53  1  1  0  0  0
 54  4  1  0  0  0  0
  3 55  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011908-3D
FYIcenter.com

 97102  0  0  1  0  0  0  0  0999 V2000
    3.8501    1.3122    1.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    0.3863    0.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8257    0.2953    0.5239 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7395   -0.3591   -0.1272 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9927   -1.6050   -0.8355 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5907   -1.5623   -2.2403 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.9964   -1.0397   -2.4692 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014   -2.8349   -2.8906 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9422   -3.9733   -2.2238 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.3677   -3.9740   -2.2344 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8760   -4.0413   -3.5785 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4237   -3.9705   -3.5427 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0291   -3.8856   -4.8476 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7521   -5.0428   -5.6657 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3585   -4.8594   -6.9543 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8596   -5.5810   -8.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3855   -5.4267   -9.2796 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4844   -4.4936   -9.6542 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3842   -4.8762  -10.6681 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3219   -3.9736  -11.1780 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3836   -2.6830  -10.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2430   -1.7739  -11.2068 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5493   -2.2959   -9.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5936   -3.1924   -9.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9364   -6.1111  -10.4023 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0382   -7.1268  -10.2605 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871   -7.8916  -11.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918   -8.9508  -11.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6198   -9.7399  -12.3976 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2469   -9.2505  -10.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5009   -8.4775   -8.9965 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8760   -8.8000   -7.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3953   -7.4129   -9.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7155   -6.5608   -7.9164 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0450   -6.6317   -6.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3346   -6.3027   -4.9695 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.7789   -6.1998   -4.8641 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7839   -6.4494   -3.5420 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.4071   -7.5605   -2.8880 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0398   -5.1466   -2.7596 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5488   -5.2252   -1.4208 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913   -4.1295   -0.7862 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0274   -5.1958   -0.0621 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3698   -2.8090    0.0409 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4656   -2.8555    1.1942 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0954   -3.2355    0.9518 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.3060   -2.3487    0.1634 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8916   -1.1303    0.7782 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0483   -0.4220   -0.2089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2008   -1.3246    2.1280 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1290   -0.0562    2.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9663   -2.3071    3.0200 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0974   -2.7301    4.0852 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3988   -3.5606    2.2727 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2172   -4.3735    3.1317 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3569    2.2767    1.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7489    0.8480    2.5134 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8445    1.5293    1.1443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9717   -1.8492   -1.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9518   -0.8682   -2.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7648   -1.6210   -1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904    0.0045   -2.1694 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2193   -1.1007   -3.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6172   -4.8628   -2.7838 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4877   -3.2264   -4.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5134   -4.9679   -4.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6830   -3.0452   -3.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6725   -5.0304   -5.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3392   -5.8746  -11.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9924   -4.2877  -11.9681 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1378   -1.8258  -12.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6232   -1.2882   -9.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9218   -2.8396   -8.3572 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3062   -7.6484  -12.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1452   -9.4379  -13.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5615  -10.0915  -10.0916 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2757   -9.5509   -7.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1492   -7.2144   -5.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0048   -5.2589   -5.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7146   -6.6831   -3.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3691   -7.4226   -2.9842 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1211   -4.9921   -2.6710 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5963   -5.0250   -1.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696   -4.4770   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9903   -5.0426   -0.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3675   -2.6650    0.4795 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1019   -4.1860    0.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7465   -0.4747    0.9272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885   -0.9764   -0.3124 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3942   -0.3675   -1.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2917    0.5968    0.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8237   -1.6895    1.9880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.5413    2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183   -1.8107    3.4977 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5719   -3.4421    4.5573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5023   -4.1522    2.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -4.3372    2.7697 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 56  1  0  0  0  0
  1 57  1  0  0  0  0
  1 58  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5 44  1  0  0  0  0
  5  4  1  0  0  0  0
  5 59  1  6  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 60  1  0  0  0  0
  7 61  1  0  0  0  0
  7 62  1  0  0  0  0
  7 63  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 64  1  6  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 65  1  0  0  0  0
 11 66  1  0  0  0  0
 12 13  1  0  0  0  0
 12 40  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 68  1  6  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 25  1  0  0  0  0
 18 19  1  0  0  0  0
 18 24  2  0  0  0  0
 19 20  2  0  0  0  0
 19 69  1  0  0  0  0
 20 21  1  0  0  0  0
 20 70  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 71  1  0  0  0  0
 23 24  1  0  0  0  0
 23 72  1  0  0  0  0
 24 73  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 33  2  0  0  0  0
 27 28  2  0  0  0  0
 27 74  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29 75  1  0  0  0  0
 30 31  2  0  0  0  0
 30 76  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 77  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 78  1  0  0  0  0
 37 79  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38 80  1  6  0  0  0
 39 81  1  0  0  0  0
 40 41  1  0  0  0  0
 40 82  1  1  0  0  0
 41 83  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 42 84  1  6  0  0  0
 43 85  1  0  0  0  0
 44 45  1  0  0  0  0
 44 86  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 54  1  0  0  0  0
 46 87  1  6  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 50  1  0  0  0  0
 48 88  1  0  0  0  0
 49 89  1  0  0  0  0
 49 90  1  0  0  0  0
 49 91  1  0  0  0  0
 50 52  1  0  0  0  0
 50 51  1  0  0  0  0
 50 92  1  6  0  0  0
 51 93  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  1  0  0  0  0
 52 94  1  0  0  0  0
 53 95  1  0  0  0  0
 54 55  1  0  0  0  0
 54 96  1  6  0  0  0
 55 97  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-10-14, 1331👍, 0💬