Molecule FYI-1015950

A

Molecule Summary:

ID: FYI-1015950
Names:
InChIKey: DQBVFTJNUYZVQL-UHFFFAOYSA-N
SMILES: CC5OC(Oc4cc(O)c3c(=O)c(OC1OCC(O)C(O)C1O)c(c2ccc(O)cc2)oc3c4)C(O)C(O)C5O

Received at FYIcenter.com on: 2025-11-05

Molecule ID: FYI-1015950 Edit

Molecule Structure InChIKey: DQBVFTJNUYZVQL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5OC(Oc4cc(O)c3c(=O)c(OC1OCC(O)C(O)C1O)c(c2ccc(O)cc2)oc3c4)C(O)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015950
FYIcenter.com

 40 44  0  0  0  0  0  0  0  0999 V2000
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.8000    0.0000 C   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
   12.1244    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    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
    7.2746    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   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
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 O   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
    2.4249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.7000    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
    3.6373    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    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
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.7000    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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  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 18  2  0  0  0  0
 20 17  1  0  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
 26 21  1  0  0  0  0
 27 24  1  0  0  0  0
 28 23  1  0  0  0  0
 29 22  1  0  0  0  0
 30 16  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
 37 11  1  0  0  0  0
 38  5  1  0  0  0  0
 39  4  1  0  0  0  0
 40  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015950-3D
FYIcenter.com

 68 72  0  0  1  0  0  0  0  0999 V2000
   -0.3737    0.1721   -5.9467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0235   -0.4397   -4.5886 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8343    0.4281   -3.8462 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1708    0.5236   -4.3469 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9203    1.4087   -3.5157 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5035    2.7123   -3.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8345    3.3899   -2.3109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745    4.7476   -2.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8367    5.3970   -1.0288 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0343    5.4434   -3.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0975    6.9016   -3.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9895    7.4948   -2.7606 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1912    7.5746   -4.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9546    8.9432   -4.3157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3444    9.7288   -3.1704 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4375    9.6063   -2.0665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8968   10.0304   -2.3557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750   11.4455   -2.9438 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7729   12.4341   -1.9104 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0655   11.6906   -4.0396 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0947   13.0867   -4.3645 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463   11.2131   -3.5790 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.4483   11.4135   -4.5803 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7528    6.7832   -5.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0535    7.3499   -6.4989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8022    7.7359   -7.6224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1788    8.3021   -8.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1992    8.4791   -8.7300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8425    9.0322   -9.7981 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9606    8.0968   -7.6298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3359    7.5303   -6.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0215    5.4228   -5.4665 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6151    4.7695   -4.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8512    3.3964   -4.5263 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8394   -0.8673   -4.3091 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8998   -1.4104   -2.9721 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0118   -1.8296   -5.1659 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5695   -3.1476   -5.1153 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5525   -1.8627   -4.6738 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2821   -2.6703   -5.5056 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7921    1.1746   -5.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1067   -0.4381   -6.4817 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5032    0.2841   -6.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9626   -0.4950   -4.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1951    0.8822   -5.3812 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2937    2.8375   -1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685    4.8346   -0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3468    9.4753   -2.8328 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4336   10.0056   -1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3637    9.3007   -3.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9810   11.6348   -3.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1547   12.0649   -1.2500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2204   11.1661   -4.9575 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307   13.5586   -3.5364 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7677   11.8037   -2.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0668   11.1253   -5.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8816    7.6001   -7.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7820    8.5968   -9.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1865    9.2656  -10.4755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0380    8.2406   -7.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9424    7.2316   -5.6613 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5629    2.9042   -5.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761   -0.8169   -4.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3821   -0.8100   -2.3994 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0445   -1.5271   -6.2181 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8296   -3.2919   -4.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5343   -2.3163   -3.6742 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2586   -3.0075   -6.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  1 43  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 45  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  2  0  0  0  0
  7  8  2  0  0  0  0
  7 46  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  2  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  1  0  0  0  0
 15 48  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 23  1  0  0  0  0
 22 55  1  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 32  1  0  0  0  0
 25 26  1  0  0  0  0
 25 31  2  0  0  0  0
 26 27  2  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 31 61  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 62  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 63  1  0  0  0  0
 36 64  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 65  1  0  0  0  0
 38 66  1  0  0  0  0
 39 40  1  0  0  0  0
 39 67  1  0  0  0  0
 40 68  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 1029👍, 0💬