Molecule FYI-1000217

A

Molecule Summary:

ID: FYI-1000217
SMILES: C1[C@@H]2CC[C@@H]3[C@]([C@H]1O)(C2)CC[C@H]1[C@@]3(C)CCC[C@@]1(C)C(=O)O;OC[C@H]1OC([C@H]2Oc3ccccc3NC2=O)[C@@H]([C@H]([C@@H]1O)O)O

Received at FYIcenter.com on: 2021-01-05

Molecule ID: FYI-1000217 Edit

Molecule Structure SMILES String: C1[C@@H]2CC[C@@H]3[C@]([C@H]1O)(C2)CC[C@H]1[C@@]3(C)CCC[C@@]1(C)C(=O)O;OC[C@H]1OC([C@H]2Oc3ccccc3NC2=O)[C@@H]([C@H]([C@@H]1O)O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000217
FYIcenter.com

 22 25  0  0  1  0  0  0  0  0999 V2000
    7.0157    4.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1432    5.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6103    6.9163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3975    6.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3403    4.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9567    3.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    3.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7863    2.3687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8707    5.3474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7411    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5559    2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2533    5.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    4.7903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    2.0530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1853    0.6843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3706    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    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  6  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  1  1  0  0  0  0
  7  8  1  6  0  0  0
  6  9  1  6  0  0  0
  9  2  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  6  0  0  0
 13 12  1  0  0  0  0
 13  5  1  0  0  0  0
 13 14  1  6  0  0  0
 15 13  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 12  1  0  0  0  0
 18 19  1  1  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
M  END
$$$$

Molecule Structure in 3D: Not available

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2021-08-04, 3592👍, 1💬