Molecule FYI-1003435

A

Molecule Summary:

ID: FYI-1003435
Names:
InChIKey: FIAAVMJLAGNUKW-UHFFFAOYSA-N
SMILES: O=c4cc(c1ccc(O)cc1)oc5c(C2OC(CO)C(O)C(O)C2O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c45

Received at FYIcenter.com on: 2023-06-18

Molecule ID: FYI-1003435 Edit

Molecule Structure InChIKey: FIAAVMJLAGNUKW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=c4cc(c1ccc(O)cc1)oc5c(C2OC(CO)C(O)C(O)C2O)c(O)c(C3OC(CO)C(O)C(O)C3O)c(O)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1003435
FYIcenter.com

 42 46  0  0  0  0  0  0  0  0999 V2000
   15.7617    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    1.4000    0.0000 O   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
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   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 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   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
    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 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
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    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
    3.6373    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
    1.2124    7.7000    0.0000 C   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
    1.2124    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
    8.4870    7.7000    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
    9.6995    9.8000    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
   10.9119   11.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   11.9000    0.0000 O   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
    6.0622   10.5000    0.0000 O   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
    6.0622    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
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 10  3  1  0  0  0  0
 11 10  1  0  0  0  0
 12  5  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 22 16  1  0  0  0  0
 23 22  2  0  0  0  0
 23 12  1  0  0  0  0
 24 23  1  0  0  0  0
 25 18  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 30  2  0  0  0  0
 31 25  1  0  0  0  0
 32 15  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 34  1  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  1  0  0  0  0
 41 32  1  0  0  0  0
 42 41  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003435-3D
FYIcenter.com

 72 76  0  0  1  0  0  0  0  0999 V2000
   -2.4015    1.6691    0.0435 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8659    0.5718   -0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7208   -0.6254   -0.0168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1659   -1.8412   -0.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835   -3.0783   -0.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2347   -3.0928   -0.7964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9860   -4.2665   -0.9039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4864   -5.4447   -0.3791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1854   -6.6164   -0.4667 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2537   -5.4701    0.2581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033   -4.2923    0.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7964   -2.0465   -0.0798 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0503   -0.9639   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4402   -1.2405   -0.2772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9000   -2.5232    0.4253 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6360   -2.2965    1.8378 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6529   -1.4953    2.4858 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1039   -0.9811    3.8173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0516   -0.0349    3.6023 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8950   -2.3659    2.6177 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6091   -3.6077    3.2818 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3941   -2.6762    1.2028 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4293   -3.6753    1.2535 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2880   -3.1895    0.2618 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7533   -3.1451   -1.0959 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3097   -0.1934   -0.6281 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5667   -0.4849   -1.0778 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9133    1.1512   -0.5103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8830    2.3338   -0.4065 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5070    3.3856   -1.3262 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902    3.3507   -2.5983 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6660    4.4944   -3.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2916    4.3173   -3.8198 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6924    3.5186   -2.3622 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9713    4.7332   -1.6361 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2019    2.3328   -1.5437 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5982    2.5198   -1.2724 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242    2.2135   -0.2242 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.8242    1.0832    0.5552 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5307    1.3948   -0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830    2.6669   -0.0366 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4079    0.3486   -0.2061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7865   -0.4394    0.0254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6436   -2.1852   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9488   -4.2355   -1.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0208   -6.4469   -0.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8714   -6.4037    0.6624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5385   -4.3370    0.8691 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1977   -3.3038    0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8827   -0.6146    1.8801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847   -0.4623    4.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6954   -1.7903    4.4279 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8670    0.0220    2.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6854   -1.8703    3.1912 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6472   -3.7683    3.2038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8578   -1.7866    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2567   -4.1942    2.0671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1481   -4.2561    0.4982 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939   -3.6545   -1.0783 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540   -1.4003   -1.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6003    2.7413    0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735    2.3926   -3.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2327    4.5526   -4.4239 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7450    5.4604   -2.9786 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1503    3.3959   -4.0929 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2489    3.5904   -3.3035 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1807    4.9617   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1221    1.4095   -2.1259 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6988    3.4567   -1.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7300    3.0744    0.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9658    0.3607   -0.0885 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7450    3.3386   -0.2760 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 42  1  0  0  0  0
  3  4  2  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 11  2  0  0  0  0
  6  7  2  0  0  0  0
  6 44  1  0  0  0  0
  7  8  1  0  0  0  0
  7 45  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  2  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 42  2  0  0  0  0
 14 15  1  0  0  0  0
 14 26  2  0  0  0  0
 15 16  1  0  0  0  0
 15 24  1  0  0  0  0
 15 49  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 17 50  1  0  0  0  0
 18 19  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 25  1  0  0  0  0
 24 58  1  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
 28 40  2  0  0  0  0
 29 30  1  0  0  0  0
 29 38  1  0  0  0  0
 29 61  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 34  1  0  0  0  0
 31 62  1  0  0  0  0
 32 33  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
 33 65  1  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 34 66  1  0  0  0  0
 35 67  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36 68  1  0  0  0  0
 37 69  1  0  0  0  0
 38 39  1  0  0  0  0
 38 70  1  0  0  0  0
 39 71  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 41 72  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-01, 2099👍, 0💬