Molecule FYI-1012151

A

Molecule Summary:

ID: FYI-1012151
Names:
InChIKey: TZCOLOGTIORRHN-NKPQMKOQSA-N
SMILES: C[C@]8(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]7(C)CC[C@]6(C)C(=CC(=O)[C@@H]5[C@@]4(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@](C)(CO)[C@@H]4CC[C@]56C)[C@@H]7C8

Received at FYIcenter.com on: 2024-08-16

Molecule ID: FYI-1012151 Edit

Molecule Structure InChIKey: TZCOLOGTIORRHN-NKPQMKOQSA-N

Molecule Structure SMILES String: C[C@]8(C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)CC[C@]7(C)CC[C@]6(C)C(=CC(=O)[C@@H]5[C@@]4(C)CC[C@H](O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)[C@@](C)(CO)[C@@H]4CC[C@]56C)[C@@H]7C8

Download SDF Download SVG Structure in 2D SDF:

FYI-1012151
FYIcenter.com

 70 77  0  0  1  0  0  0  0  0999 V2000
   18.1728    9.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9613   10.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1728   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1728   12.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9613   13.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7497   12.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7497   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5382   10.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151   10.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036   11.1915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151    9.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    8.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921    9.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    8.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1151    6.2952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    6.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3267    8.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5382    9.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7497    8.3936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9613    9.0931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6907    7.8844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6230    7.3549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    5.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    6.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4806    4.1968    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6921    0.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    2.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2690    0.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8461    4.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    4.8963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    4.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    2.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    2.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    2.7979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    0.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2115    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6346    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    6.2952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9036    9.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1728   13.9894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9613   14.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7497   15.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1728   15.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3843   14.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5957   15.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8074   14.6889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8074   13.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5957   12.5904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3843   13.2899    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5957   11.1915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3843   10.4920    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0188   12.5904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0188   15.3883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.5957   16.7873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  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  6  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  1  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 18 13  1  0  0  0  0
 18 19  1  1  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  6  0  0  0
 21 26  1  1  0  0  0
 17 27  1  1  0  0  0
 28 17  1  0  0  0  0
 29 28  1  0  0  0  0
 16 30  1  1  0  0  0
 31 30  1  6  0  0  0
 32 31  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
 36 31  1  0  0  0  0
 35 37  1  6  0  0  0
 38 37  2  0  0  0  0
 39 37  1  0  0  0  0
 34 40  1  1  0  0  0
 33 41  1  6  0  0  0
 32 42  1  1  0  0  0
 43 42  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 48 43  1  0  0  0  0
 47 49  1  6  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  0  0  0
 46 52  1  1  0  0  0
 45 53  1  6  0  0  0
 44 54  1  1  0  0  0
 13 55  1  1  0  0  0
  5 56  1  6  0  0  0
 57  5  1  0  0  0  0
 58 57  2  0  0  0  0
 59 57  1  0  0  0  0
 60 59  1  1  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 65 64  1  0  0  0  0
 65 60  1  0  0  0  0
 64 66  1  1  0  0  0
 67 66  1  0  0  0  0
 63 68  1  6  0  0  0
 62 69  1  1  0  0  0
 61 70  1  6  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

✍: FYIcenter.com

2024-09-12, 463👍, 0💬