Molecule FYI-1006924

A

Molecule Summary:

ID: FYI-1006924
Names:
InChIKey: RTATXGUCZHCSNG-UHFFFAOYSA-N
SMILES: CC5OC(OCC4OC(Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)C(O)C(O)C4O)C(O)C(O)C5O

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006924 Edit

Molecule Structure InChIKey: RTATXGUCZHCSNG-UHFFFAOYSA-N

Molecule Structure SMILES String: CC5OC(OCC4OC(Oc3c(c1ccc(O)cc1)oc2cc(O)cc(O)c2c3=O)C(O)C(O)C4O)C(O)C(O)C5O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006924
FYIcenter.com

 72 76  0  0  0  0  0  0  0  0999 V2000
    7.2381    8.3579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    4.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    4.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    4.8754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    6.2684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445   10.4473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    9.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    2.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    0.6965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    2.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318   13.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    9.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    9.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   13.2333    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635   15.3228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381    6.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508    6.9649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508    8.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254    4.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191    2.0895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    2.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445    9.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    4.1789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    4.8754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381   11.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381   12.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318   10.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254   11.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254   12.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445   13.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   10.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   13.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4445   14.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508   12.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   11.1438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127   12.5368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508   15.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572   13.2333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572   14.6263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4045    5.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9266    5.4162    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    7.4873    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8572    8.0096    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    3.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8254    5.5719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    1.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8581    3.4824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508    9.7508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6388    6.2684    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353    7.4747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3196    3.7353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9028    6.0818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.5719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5099    3.6691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381    4.1789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635    6.9649    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635    8.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0318    0.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064    0.6965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6191   14.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2381   15.3228    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508   11.1438    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   10.4473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6508   16.7157    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0635   12.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4127    8.3579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2064   14.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2699   14.6263    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 16  1  0  0  0  0
  1 24  1  0  0  0  0
  2 21  1  0  0  0  0
  2 25  1  0  0  0  0
  3 21  1  0  0  0  0
  3 26  1  0  0  0  0
  4 17  1  0  0  0  0
  4 58  1  0  0  0  0
  5 18  1  0  0  0  0
  5 59  1  0  0  0  0
  6 24  1  0  0  0  0
  6 28  1  0  0  0  0
  7 19  1  0  0  0  0
  7 60  1  0  0  0  0
  8 20  1  0  0  0  0
  8 61  1  0  0  0  0
  9 22  1  0  0  0  0
  9 62  1  0  0  0  0
 10 23  1  0  0  0  0
 10 63  1  0  0  0  0
 11 29  1  0  0  0  0
 11 32  1  0  0  0  0
 12 30  2  0  0  0  0
 13 34  1  0  0  0  0
 13 70  1  0  0  0  0
 14 39  1  0  0  0  0
 14 71  1  0  0  0  0
 15 42  1  0  0  0  0
 15 72  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 44  1  0  0  0  0
 18 19  1  0  0  0  0
 18 45  1  0  0  0  0
 19 24  1  0  0  0  0
 19 46  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 47  1  0  0  0  0
 21 48  1  0  0  0  0
 22 23  1  0  0  0  0
 22 49  1  0  0  0  0
 23 26  1  0  0  0  0
 23 50  1  0  0  0  0
 24 51  1  0  0  0  0
 25 52  1  0  0  0  0
 25 53  1  0  0  0  0
 26 27  1  0  0  0  0
 26 54  1  0  0  0  0
 27 55  1  0  0  0  0
 27 56  1  0  0  0  0
 27 57  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 29 33  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  2  0  0  0  0
 32 35  2  0  0  0  0
 33 36  2  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 35 39  1  0  0  0  0
 35 64  1  0  0  0  0
 36 40  1  0  0  0  0
 36 65  1  0  0  0  0
 37 41  2  0  0  0  0
 37 66  1  0  0  0  0
 38 39  2  0  0  0  0
 38 67  1  0  0  0  0
 40 42  2  0  0  0  0
 40 68  1  0  0  0  0
 41 42  1  0  0  0  0
 41 69  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006924-3D
FYIcenter.com

 72 76  0  0  1  0  0  0  0  0999 V2000
    1.3463    0.0698    0.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2522   -0.5801   -0.8962 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6403    0.3643   -1.9025 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5875    0.7662   -2.7782 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0897    1.7166   -3.7287 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5533    2.9122   -3.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0884    3.9480   -4.1090 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6199    5.1327   -3.4623 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140    5.9535   -2.8184 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2502    7.0841   -2.1821 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4207    7.9643   -1.4815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7338    9.2652   -1.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9480    9.9179   -1.8345 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9973   10.4089   -3.1504 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0257   11.2724   -3.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0070   11.6372   -2.6272 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9710   12.5488   -2.9406 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0054   11.1132   -1.3390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   10.2586   -0.9384 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9515   10.1927   -0.6505 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6686    9.8576   -0.3237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1511   10.8958    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4723   10.6251    0.4553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3127   11.6037    0.8878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9842    9.3365    0.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1518    8.3034   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6799    7.0502   -0.2183 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1871    8.5589   -0.4132 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347    7.5133   -0.8467 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8767    6.3243   -0.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6165    6.4362   -3.8960 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2953    7.2576   -4.8804 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866    5.2433   -4.6180 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1171    5.7296   -5.6484 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0874    4.3526   -5.2132 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5401    3.2432   -5.9213 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0436   -0.4681   -3.5333 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0712   -1.1121   -4.3182 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5366   -1.4959   -2.5165 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0931   -2.6845   -3.1841 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6516   -1.8549   -1.5167 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.1828   -2.7218   -0.4800 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8128    0.9796    0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1607   -0.6098    0.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763    0.3613   -0.2585 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1728   -0.8668   -0.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7744    1.2443   -2.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3627    2.6725   -2.3874 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7298    3.3267   -2.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340    3.4641   -4.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651    5.3184   -2.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2030   10.1685   -3.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0265   11.6721   -4.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7363   12.9742   -3.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7797   11.4090   -0.6337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9497    9.9061    0.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2499   11.9037    0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   12.4493    0.9253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0181    9.1588    0.6123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6045    7.0470    0.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8284    7.0719   -3.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2547    7.0984   -4.7622 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3577    4.6634   -3.9332 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6416    6.3842   -6.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6277    4.9366   -5.9683 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0846    2.6636   -5.2852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2551   -0.1853   -4.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8922   -0.5999   -4.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3362   -1.1064   -1.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7568   -2.8560   -3.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4387   -2.4021   -2.0524 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482   -2.9287   -0.6607 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 41  1  0  0  0  0
  2 46  1  0  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 47  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 48  1  0  0  0  0
  6 49  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 50  1  0  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 51  1  0  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 52  1  0  0  0  0
 15 16  1  0  0  0  0
 15 53  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 54  1  0  0  0  0
 18 19  1  0  0  0  0
 18 55  1  0  0  0  0
 19 56  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 57  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 24 58  1  0  0  0  0
 25 26  2  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 27 60  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 31 61  1  0  0  0  0
 32 62  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 63  1  0  0  0  0
 34 64  1  0  0  0  0
 35 36  1  0  0  0  0
 35 65  1  0  0  0  0
 36 66  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 67  1  0  0  0  0
 38 68  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 39 69  1  0  0  0  0
 40 70  1  0  0  0  0
 41 42  1  0  0  0  0
 41 71  1  0  0  0  0
 42 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-01-31, 1427👍, 0💬