Molecule FYI-1001469

A

Molecule Summary:

ID: FYI-1001469
SMILES: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Received at FYIcenter.com on: 2022-08-04

Molecule ID: FYI-1001469 Edit

Molecule Structure SMILES String: [H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001469
FYIcenter.com

 58 64  0  0  1  0  0  0  0  0999 V2000
    6.2212   20.2073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   18.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   18.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   20.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142   19.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   20.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   20.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   18.8137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   19.5105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   18.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   16.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   16.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0447   15.1658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   16.7233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   16.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   14.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142   13.9360    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   13.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142   22.2977    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005   12.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   13.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   11.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073   10.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    9.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    8.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073    7.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    8.3616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    7.6648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    6.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281    5.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    5.5744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    4.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073    6.2712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    5.5744    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    4.1808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073    3.4840    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8073    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6005    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    2.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866    1.3936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935    3.4840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866    4.1808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    1.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2212    2.0904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281    8.3616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281    9.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6349    7.6648    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   10.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.4520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6968    9.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   11.8456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0142   20.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   12.5424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   13.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3935   14.6328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1866   15.6781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 54  2  0  0  0  0
  2  3  1  1  0  0  0
  4  3  1  0  0  0  0
  4  5  1  1  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  8  9  1  6  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  6  0  0  0
 19 54  1  0  0  0  0
 20 18  1  0  0  0  0
 20 21  1  6  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  1  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  1  0  0  0
 31 29  1  0  0  0  0
 31 32  1  6  0  0  0
 33 31  1  0  0  0  0
 33 26  1  0  0  0  0
 33 34  1  1  0  0  0
 35 34  1  6  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 38 39  1  1  0  0  0
 40 38  1  0  0  0  0
 40 41  1  6  0  0  0
 42 40  1  0  0  0  0
 42 35  1  0  0  0  0
 42 43  1  1  0  0  0
 37 44  1  6  0  0  0
 45 44  1  0  0  0  0
 46 44  2  0  0  0  0
 28 47  1  6  0  0  0
 48 47  1  0  0  0  0
 49 47  2  0  0  0  0
 50 24  1  0  0  0  0
 51 50  1  0  0  0  0
 52 50  1  0  0  0  0
 53 50  1  0  0  0  0
 53 20  1  0  0  0  0
 54  4  1  0  0  0  0
 53 55  1  6  0  0  0
 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 57 12  1  0  0  0  0
 57 18  1  0  0  0  0
 57 58  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2022-08-27, 1448👍, 0💬