Molecule FYI-1005201

A

Molecule Summary:

ID: FYI-1005201
Names:
InChIKey: GTWNVEQLAVGKBX-ILRDRHFLSA-N
SMILES: O=N(=O)c5ccc([C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c4ccc3OCOc3c4)cc5

Received at FYIcenter.com on: 2023-10-17

Molecule ID: FYI-1005201 Edit

Molecule Structure InChIKey: GTWNVEQLAVGKBX-ILRDRHFLSA-N

Molecule Structure SMILES String: O=N(=O)c5ccc([C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c4ccc3OCOc3c4)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1005201
FYIcenter.com

 26 30  0  0  0  0  0  0  0  0999 V2000
    8.0757    7.0222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3581    7.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4857    6.7542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7681    7.3160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9228    8.7074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7952    9.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5128    8.9754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0436    6.7389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9866    7.7736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2940    8.9902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8674    7.7295    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8214    6.7990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3831    5.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7764    5.6546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0838    4.1490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920    3.4417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3381    4.3722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8641    3.4617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6591    4.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394    3.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    2.0872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6298    1.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.0618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2050    1.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1904    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  2  7  1  0  0  0  0
  2  3  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  5 10  1  0  0  0  0
  4  8  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  1 14  1  0  0  0  0
  1 11  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 14 17  1  1  0  0  0
 13 15  1  1  0  0  0
 15 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 18 23  1  0  0  0  0
 18 19  2  0  0  0  0
 21 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005201-3D
FYIcenter.com

 43 47  0  0  1  0  0  0  0  0999 V2000
   10.2522   -3.8658   -5.0014 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0764   -4.0904   -4.6797 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6551   -5.1835   -4.2760 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1177   -2.9831   -4.7851 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5371   -1.7257   -5.2432 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6180   -0.6662   -5.3140 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2908   -0.8510   -4.9250 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2607    0.2534   -4.9590 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7192    1.5634   -5.3243 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5135    2.2692   -5.6937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7702    1.2812   -6.5785 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.1444   -0.0486   -5.9537 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8984   -0.5274   -5.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9222    0.5161   -5.3540 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2474    1.3121   -6.5113 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.5876    0.7270   -7.7612 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9295   -0.5318   -7.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4243   -1.1301   -8.8920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4869   -0.4003  -10.0487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0313   -0.7757  -11.2484 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0092    0.4907  -11.9320 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9174    1.4297  -11.3147 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0485    0.8567  -10.0854 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6320    1.4356   -8.9746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8930   -2.1291   -4.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7906   -3.1923   -4.4097 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9570    0.3096   -5.6724 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8825    0.3548   -3.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7774    3.1945   -6.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    2.5284   -4.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1623    1.3757   -7.5979 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4522   -0.7588   -6.7312 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0325   -0.7689   -4.1851 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5288   -1.4402   -5.7199 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8522    2.3213   -6.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7873   -1.0684   -6.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0362   -2.1102   -8.8639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0018    0.9176  -11.9083 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2994    0.3317  -12.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840    2.4193   -9.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672   -2.3068   -4.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4408   -4.1605   -4.0576 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  2  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7 25  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8  7  1  0  0  0  0
  8 29  1  1  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 11 32  1  6  0  0  0
 12 13  1  0  0  0  0
 12 33  1  6  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 36  1  1  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 41  1  0  0  0  0
 25 26  1  0  0  0  0
 25 42  1  0  0  0  0
 26 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1615👍, 0💬